data_r4o3msf
# 
_audit.revision_id    1_0
_audit.creation_date  2014-03-12
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4o3m 
_cell.length_a      100.9300 
_cell.length_b      164.6800 
_cell.length_c      50.9800 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.1400 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97949 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.300 
_diffrn_reflns.pdbx_d_res_low    35.909 
_diffrn_reflns.limit_h_max       43 
_diffrn_reflns.limit_h_min       -43 
_diffrn_reflns.limit_k_max       71 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       22 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            36392 
_diffrn_reflns.pdbx_number_obs   36392 
# 
_entry.id   4o3m 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4o3m 
_symmetry.space_group_name_H-M   'C 1 2 1' 
_symmetry.Int_Tables_number      5 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 '-X,  Y,  -Z'         
3 'X+1/2,  Y+1/2,  Z'   
4 '-X+1/2,  Y+1/2,  -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  -43    1    1 o  ?   ?  -16.7538   15.612 -20.6338   21.861 -12.7158   22.302  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    1    2 o  ?   ?    17.643   16.159   8.8817   22.363   27.216   23.376  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    1    3 o  ?   ?  -12.4608   15.690   4.6512   22.041 -30.0411   22.340  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    1    4 o  ?   ?    0.5456   15.884 -11.5463   22.453   12.660   22.474  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    3    1 o  ?   ?   -9.0877   15.583   9.4264   21.211 -30.7990   22.970  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    3    2 o  ?   ?    4.9141   15.676   6.3120   21.173   3.2182   23.321  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    3    3 o  ?   ?    7.8792   15.906   24.483   22.026 -10.2142   22.993  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    3    4 o  ?   ?    4.8974   15.941  -1.2837   22.863   10.746   22.239  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    5    1 o  ?   ?   -8.6739   15.537 -13.5554   20.583  -2.2093   23.687  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    5    2 o  ?   ?    21.120   15.506  -4.2444   20.880   52.305   23.152  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    5    3 o  ?   ?    5.1299   15.986 -17.1907   21.696   31.640   23.645  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    5    4 o  ?   ?    15.235   16.387   20.345   24.055   10.811   22.384  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    7    1 o  ?   ?    11.474   15.661   28.416   20.329 -13.2620   24.564  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    7    2 o  ?   ?    17.292   16.033   11.006   21.708   24.836   23.781  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    7    3 o  ?   ?   -8.4553   15.889  -6.8979   22.699  -9.9512   22.247  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    9    1 o  ?   ?  -32.5198   18.410 -16.7122   28.430 -43.9339   24.159  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    9    2 o  ?   ?    20.594   15.976   28.290   22.157   12.261   23.057  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43    9    3 o  ?   ?    15.195   16.396   24.585   23.346   6.0564   23.032  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43   11    1 o  ?   ?    6.9042   18.528   10.602   21.679  -3.1146   35.683  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43   11    2 o  ?   ?  -16.2669   16.348 -24.2702   23.303  -8.5117   22.939  ?   ?   ?   ?  0.000000      ? 
1 1 1  -43   13    1 o  ?   ?    14.818   16.311   45.208   23.050 -15.6702   23.086  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    0    1 o   74.359   36.859   36.992   22.875   36.992   22.875   36.992   22.875   74.359   36.859   74.359   36.859 0.000000 0.000000 
1 1 1  -42    0    2 o   37.655   27.016 -35.9220   33.400 -35.9220   33.400 -35.9220   33.400   37.655   27.016   37.655   27.016 0.000000 0.000000 
1 1 1  -42    0    3 o   82.565   42.885   52.927   31.792   52.927   31.792   52.927   31.792   82.565   42.885   82.565   42.885 0.000000 0.000000 
1 1 1  -42    0    4 o   45.527   29.324   8.8812   21.309   8.8812   21.309   8.8812   21.309   45.527   29.324   45.527   29.324 0.000000 0.000000 
1 1 1  -42    0    5 o   26.619   19.392 -38.1040   20.851 -38.1040   20.851 -38.1040   20.851   26.619   19.392   26.619   19.392 0.000000 0.000000 
1 1 1  -42    0    6 o   38.252   26.485  -5.7703   24.071  -5.7703   24.071  -5.7703   24.071   38.252   26.485   38.252   26.485 0.000000 0.000000 
1 1 1  -42    2    1 o  ?   ?   -1.4349   19.070   69.756   37.216 -26.7811   22.206  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    2    2 o  ?   ?   -7.3474   24.137 -15.0244   33.518   0.9224   34.788  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    2    3 o  ?   ?    38.929   22.356   37.493   30.758   40.537   32.550  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    2    4 o  ?   ?  -15.3990   14.909  -5.2985   20.957 -25.7483   21.213  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    2    5 o  ?   ?   -0.0608   15.241  -8.0532   23.259   5.9534   20.177  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    2    6 o  ?   ?  -20.8980   17.061 -28.4548   26.037 -15.2118   22.586  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    4    1 o  ?   ?    8.4165   18.644 -34.3366   34.603   25.904   22.131  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    4    2 o  ?   ?    17.476   23.105   15.468   31.136   19.937   34.469  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    4    3 o  ?   ?    17.228   21.159   12.420   28.822   22.849   31.162  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    4    4 f  ?   ?    3.4010   15.418   3.6180   22.436   3.2067   21.224  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    4    5 o  ?   ?    22.505   15.979   45.394   26.165   8.8901   20.179  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    4    6 o  ?   ?    5.6778   16.528   55.171   26.693 -25.0997   21.049  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    6    1 o  ?   ?  -29.8432   18.397 -21.5610   32.476 -33.7567   22.324  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    6    2 o  ?   ?  -14.1667   22.473 -13.6488   31.309 -14.7171   32.275  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    6    3 o  ?   ?   -6.5966   18.798 -30.5193   23.036   41.088   32.522  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    6    4 o  ?   ?  -20.4413   15.487  -0.0351   24.515 -33.9932   19.978  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    6    5 o  ?   ?   -3.9097   16.660 -16.1242   26.742   3.8379   21.298  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    6    6 o  ?   ?    0.3721   16.099 -28.9873   25.703   19.327   20.653  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    8    1 o  ?   ?    3.7654   18.637 -41.0488   32.354   26.020   22.800  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    8    2 o  ?   ?    20.855   22.557   46.693   32.195  -4.0580   31.613  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    8    3 o  ?   ?  -13.6758   18.769  -1.3105   22.594 -41.2098   33.715  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    8    4 o  ?   ?  -11.3767   15.994   6.6722   25.275 -23.4321   20.656  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42    8    5 o  ?   ?    15.242   16.744   9.2413   25.766   19.629   22.030  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   10    1 o  ?   ?   -3.6242   18.926 -16.8537   34.556   2.0449   22.620  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   10    2 o  ?   ?    4.6273   18.528   22.947   22.964 -29.5415   31.362  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   10    3 o  ?   ?   -3.2621   20.019   24.524   24.846 -54.6829   33.800  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   10    4 o  ?   ?    12.425   16.541   43.729   25.007 -11.9236   22.055  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   10    5 o  ?   ?   -0.4840   16.619   9.7895   25.034  -8.5798   22.223  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   12    1 o  ?   ?  -22.2946   17.909 -43.8931   22.318   16.756   30.010  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   12    2 o  ?   ?    8.8845   19.793   10.238   24.141   6.1073   34.574  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   12    3 f  ?   ?    6.3658   17.579   39.582   25.673 -22.9514   24.119  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   12    4 o  ?   ?   -1.6834   16.795   14.255   25.530 -13.8446   22.301  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   12    5 o  ?   ?    31.668   16.804   29.743   24.655   33.338   22.964  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   14    1 o  ?   ?  -13.8270   15.955 -10.7498   24.331 -16.1483   21.132  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   14    2 o  ?   ?  -12.1933   20.035  -3.7553   24.722 -28.3366   34.195  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   14    3 o  ?   ?  -17.7717   16.750   22.644   24.977 -50.8002   22.580  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   14    4 o  ?   ?   -1.6819   16.601   35.115   24.273 -34.0245   22.756  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   16    1 f  ?   ?  -22.7627   16.882   11.329   25.903 -47.9388   22.259  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   16    2 o  ?   ?    23.815   19.894   18.353   25.379   32.522   32.042  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   16    3 o  ?   ?    21.886   19.121   48.127   32.424   7.8959   23.675  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   16    4 o  ?   ?  -11.1385   16.587   8.9657   23.556 -30.9086   23.360  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   18    1 o  ?   ?    11.283   20.211 -10.4286   25.584   47.327   32.964  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   18    2 f  ?   ?    32.665   19.894   42.009   25.737   18.795   31.358  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   18    3 o  ?   ?  -12.7759   19.153  -5.0781   23.790 -26.9561   32.289  ?   ?   ?   ?  0.000000      ? 
1 1 1  -42   20    1 o  ?   ?   -3.0660   19.601  -7.7949   25.286   4.0537   31.026  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    1    1 o  ?   ?    6.1627   15.130   0.2172   21.564   11.927   21.233  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    1    2 o  ?   ?  -37.4162   15.088 -44.1706   21.298 -30.6118   21.377  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    1    3 o  ?   ?  -10.5569   15.574 -49.9249   22.752   24.156   21.364  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    1    4 o  ?   ?  -38.2945   15.093 -30.6943   21.062 -46.3177   21.640  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    1    5 o  ?   ?   -6.6973   21.303   4.9659   31.055 -17.0634   29.277  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    1    6 o  ?   ?    0.5318   16.750   15.855   25.506 -11.0868   22.210  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    1    7 o  ?   ?   -1.3259   16.967   16.080   23.981 -18.7713   24.008  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    3    1 o  ?   ?   -7.7121   15.160 -19.2576   22.099   2.5524   20.837  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    3    2 o  ?   ?  -10.7926   15.063 -35.3840   22.736   8.4455   20.110  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    3    3 o  ?   ?    2.5306   15.036  -0.5150   22.196   5.1135   20.441  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    3    4 o  ?   ?   -6.9254   16.128  -7.9015   23.808  -6.0977   21.924  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    3    5 o  ?   ?    8.9549   21.227 -17.9024   31.501   31.293   28.728  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    3    6 o  ?   ?  -17.0977   26.957 -17.0977   26.957   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    3    7 o  ?   ?    2.5758   17.262 -14.2625   24.687   18.683   24.145  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    5    1 o  ?   ?    3.0913   15.070  -0.8491   22.572   6.2603   20.242  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    5    2 o  ?   ?    10.195   15.371   29.404   23.856  -3.4423   20.101  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    5    3 o  ?   ?  -10.6126   15.334 -28.9263   22.913   4.2437   20.637  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    5    4 o  ?   ?    6.5127   16.566  -3.2653   24.967   14.203   22.142  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    5    5 o  ?   ?    29.257   22.127   5.1951   35.341   44.771   28.377  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    5    6 o  ?   ?    13.946   16.021   7.8006   27.003   17.284   19.902  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    5    7 o  ?   ?    14.450   17.080   39.891   24.968  -7.9259   23.416  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    7    1 o  ?   ?    20.495   14.855   17.169   22.227   23.180   19.970  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    7    2 o  ?   ?    25.756   15.341   57.496   23.780   3.1308   20.078  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    7    3 o  ?   ?   -3.8357   15.555 -19.0658   23.808   7.5056   20.545  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    7    4 f  ?   ?    19.403   24.692   47.537   38.064  -1.0361   32.444  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    7    5 o  ?   ?  -30.2824   22.597 -30.7463   36.171 -29.9854   28.940  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    7    6 o  ?   ?  -50.8040   15.907 -63.1786   26.873 -44.1296   19.736  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    7    7 o  ?   ?  -13.8812   16.253 -26.6130   24.790  -4.2822   21.525  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    9    1 o  ?   ?  -13.9300   15.359  -0.7801   23.541 -23.6748   20.266  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    9    2 f  ?   ?    7.7239   14.941  -6.3706   22.743   18.426   19.818  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    9    3 o  ?   ?  -15.7769   15.723 -48.3786   25.316   4.6947   20.061  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    9    4 o  ?   ?    13.427   24.256   50.146   37.917 -12.0098   31.558  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    9    5 o  ?   ?  -30.1028   22.202   8.5415   34.430 -57.6098   29.048  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    9    6 o  ?   ?  -17.4625   16.535  -9.0243   24.820 -24.1964   22.172  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41    9    7 f  ?   ?    47.768   16.963   17.779   25.335   72.134   22.837  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   11    1 o  ?   ?  -19.2860   15.416   8.7885   22.678 -43.4041   21.019  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   11    2 o  ?   ?    8.4332   15.624   13.206   24.943   5.3510   20.044  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   11    3 o  ?   ?   -5.1553   17.555 -54.3902   37.222   8.9295   19.908  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   11    4 o  ?   ?    26.382   23.232   69.512   36.990  -1.7137   29.854  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   11    5 o  ?   ?    18.113   19.656 -58.3902   35.264   52.596   23.675  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   11    6 o  ?   ?  -19.4640   16.879 -36.2779   25.499  -6.3503   22.519  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   11    7 o  ?   ?  -29.4717   17.144 -30.2726   25.516 -28.8127   23.146  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   13    1 o  ?   ?    9.7458   15.894   62.551   25.252 -24.8988   20.454  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   13    2 o  ?   ?  -13.8649   20.791   0.0000   0.0000 -13.8649   20.791  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   13    3 o  ?   ?  -27.2090   17.936 -51.4146   36.629 -19.5751   20.571  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   13    4 o  ?   ?    41.336   24.032   48.059   37.280   36.556   31.434  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   13    5 o  ?   ?  -11.6249   19.225   15.200   35.410 -22.8358   22.892  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   13    6 o  ?   ?  -27.9675   17.418 -40.7980   25.225 -16.2760   24.080  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   15    1 o  ?   ?    1.8571   17.720 -34.3756   38.170   11.811   20.007  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   15    2 o  ?   ?   -3.8395   18.491 -35.1561   39.685   4.8447   20.898  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   15    3 o  ?   ?   -0.7722   18.554   25.122   36.636  -9.7053   21.518  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   15    4 o  ?   ?  -21.9665   24.483   19.883   36.501 -56.1951   33.011  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   15    5 o  ?   ?  -22.0949   17.564 -49.6295   25.804   1.6754   23.976  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   15    6 f  ?   ?  -26.4190   19.780 -43.5854   33.627 -17.3368   24.459  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   17    1 o  ?   ?    20.724   17.726 -39.7171   38.176   37.337   20.015  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   17    2 o  ?   ?  -21.3614   18.192 -73.5610   37.333  -5.1057   20.833  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   17    3 o  ?   ?    48.410   32.114   0.0000   0.0000   48.410   32.114  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   17    4 o  ?   ?  -54.7718   25.252 -59.4146   37.020 -50.7317   34.533  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   17    5 o  ?   ?   -1.8458   17.739  -0.9964   25.186  -2.6818   24.988  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   19    1 o  ?   ?   -0.8651   17.744   13.200   37.981  -4.7922   20.069  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   19    2 o  ?   ?    15.609   18.795   10.537   36.491   17.440   21.927  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   19    3 o  ?   ?  -11.2605   20.573  -8.0497   26.478 -16.1512   32.679  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   19    4 o  ?   ?   -2.5892   17.730 -13.8211   24.817   9.1201   25.339  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   19    5 o  ?   ?  -14.3778   17.826 -29.9392   25.322   0.9112   25.099  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   21    1 o  ?   ?   -8.3659   15.832   5.3097   25.440 -17.0111   20.227  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   21    2 o  ?   ?  -27.8971   16.760 -37.1173   25.704 -21.0778   22.105  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   21    3 o  ?   ?    4.8965   20.141 -17.7628   25.553   42.063   32.726  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   21    4 o  ?   ?  -10.1727   17.346 -39.0142   24.221   20.198   24.855  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   23    1 o  ?   ?    20.539   15.993 -17.4629   25.068   46.626   20.769  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   23    2 o  ?   ?    9.0071   16.848   8.8800   25.019   9.1125   22.791  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   23    3 o  ?   ?    0.4985   19.325   3.5444   24.022  -5.0878   32.533  ?   ?   ?   ?  0.000000      ? 
1 1 1  -41   25    1 o  ?   ?  -36.7289   15.613 -17.4551   24.207 -50.4565   20.430  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    0    1 o   29.503   21.232 -32.6414   21.336 -32.6414   21.336 -32.6414   21.336   29.503   21.232   29.503   21.232 0.000000 0.000000 
1 1 1  -40    0    2 o   96.487   34.448   47.502   20.995   47.502   20.995   47.502   20.995   96.487   34.448   96.487   34.448 0.000000 0.000000 
1 1 1  -40    0    3 f   53.657   32.398   15.213   22.014   15.213   22.014   15.213   22.014   53.657   32.398   53.657   32.398 0.000000 0.000000 
1 1 1  -40    0    4 o   73.605   36.624   34.100   22.620   34.100   22.620   34.100   22.620   73.605   36.624   73.605   36.624 0.000000 0.000000 
1 1 1  -40    0    5 o   57.349   34.053   20.023   23.541   20.023   23.541   20.023   23.541   57.349   34.053   57.349   34.053 0.000000 0.000000 
1 1 1  -40    0    6 o   49.771   31.851   10.600   24.645   10.600   24.645   10.600   24.645   49.771   31.851   49.771   31.851 0.000000 0.000000 
1 1 1  -40    0    7 o   44.390   30.803  -9.3756   33.029  -9.3756   33.029  -9.3756   33.029   44.390   30.803   44.390   30.803 0.000000 0.000000 
1 1 1  -40    0    8 o   69.636   37.932   37.721   25.895   37.721   25.895   37.721   25.895   69.636   37.932   69.636   37.932 0.000000 0.000000 
1 1 1  -40    0    9 o   25.462   18.750 -55.8798   23.503 -55.8798   23.503 -55.8798   23.503   25.462   18.750   25.462   18.750 0.000000 0.000000 
1 1 1  -40    2    1 o  ?   ?    41.395   14.846   32.597   21.780   49.030   20.291  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    2    2 o  ?   ?   -6.9232   15.103 -14.2340   21.477   0.2285   21.242  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    2    3 o  ?   ?    31.902   15.016   24.094   21.394   39.484   21.082  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    2    4 o  ?   ?    1.1350   15.676   15.489   22.294 -12.9016   22.046  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    2    5 o  ?   ?    5.1628   16.060  -5.1369   23.359   14.396   22.117  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    2    6 o  ?   ?   -0.8864   16.565 -17.3085   24.423   13.105   22.543  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    2    7 o  ?   ?    1.6588   23.317 -25.7805   33.115   28.639   32.837  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    2    8 o  ?   ?    12.047   17.827   18.477   24.020   4.1627   26.598  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    2    9 o  ?   ?  -10.5711   17.608 -17.3832   24.479  -3.2671   25.348  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    4    1 o  ?   ?   -9.8357   14.575   1.3486   22.272 -18.2125   19.275  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    4    2 o  ?   ?  -29.0454   14.755 -47.8273   21.579 -12.5551   20.220  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    4    3 o  ?   ?  -18.0312   15.343 -20.6686   22.488 -15.7344   20.986  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    4    4 o  ?   ?  -12.6416   15.618  -5.0181   22.685 -19.5100   21.533  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    4    5 o  ?   ?   -0.2239   16.311  -2.1697   23.695   1.5284   22.486  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    4    6 o  ?   ?    4.4769   16.093   49.037   24.898 -27.4932   21.090  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    4    7 o  ?   ?    6.5823   23.350   3.3649   33.494   9.6244   32.569  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    4    8 o  ?   ?    0.8855   20.476  -8.0439   32.011   7.0685   26.637  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    4    9 o  ?   ?  -46.6746   20.235 -47.4537   31.956 -46.1532   26.145  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    6    1 o  ?   ?   -8.3987   14.916 -35.4371   23.355   10.228   19.385  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    6    2 o  ?   ?    16.434   15.116   18.985   22.990   14.491   20.063  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    6    3 o  ?   ?    14.136   15.663   21.619   23.462   8.1199   21.037  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    6    4 o  ?   ?   -0.8689   15.986 -18.5175   23.898   13.423   21.505  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    6    5 o  ?   ?    8.2626   16.662   9.6559   24.633   7.0873   22.623  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    6    6 o  ?   ?    5.8244   18.242   9.4659   24.024   0.8654   28.035  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    6    7 o  ?   ?    5.9444   22.685   62.049   32.906 -44.8683   31.316  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    6    8 o  ?   ?    18.720   20.620   3.9795   32.576   28.574   26.634  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    8    1 o  ?   ?    19.179   15.538   46.429   24.238   0.1659   20.246  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    8    2 o  ?   ?   -9.3553   15.138 -33.3229   23.092   8.7069   20.046  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    8    3 o  ?   ?    30.329   15.670   49.301   23.839   15.896   20.793  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    8    4 o  ?   ?   -9.5637   16.080 -28.1501   24.720   4.0703   21.172  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    8    5 o  ?   ?    1.0121   16.260   8.9289   24.304  -5.4034   21.878  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    8    6 o  ?   ?  -13.4454   18.761   5.3777   24.007 -42.9756   30.070  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    8    7 o  ?   ?    15.140   18.504   94.976   32.925 -21.7140   22.370  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40    8    8 f  ?   ?    30.249   20.746   50.585   33.863   18.030   26.249  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   10    1 o  ?   ?    3.1650   17.446 -33.0634   30.476   20.824   21.277  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   10    2 o  ?   ?    9.3922   15.280   35.386   23.312 -10.1870   20.232  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   10    3 o  ?   ?   -7.6490   15.718  -1.9307   25.103 -11.3364   20.158  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   10    4 o  ?   ?    14.496   16.295   13.740   24.937   15.059   21.525  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   10    5 o  ?   ?    6.0709   16.436   5.0272   25.138   6.8502   21.722  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   10    6 o  ?   ?  -44.1573   18.702 -43.1741   23.149 -46.0049   31.734  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   10    7 o  ?   ?  -19.0536   18.030 -23.1707   31.307 -17.0106   22.054  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   10    8 o  ?   ?    29.974   24.483   44.615   33.516   13.224   35.849  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   12    1 o  ?   ?    4.5677   16.252   25.073   23.257 -15.0002   22.719  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   12    2 o  ?   ?    7.7153   16.125   36.612   25.186 -12.3587   20.992  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   12    3 o  ?   ?    26.245   15.810   55.371   25.439   7.9144   20.181  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   12    4 o  ?   ?    21.444   16.179  -2.1098   25.272   37.802   21.061  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   12    5 o  ?   ?    3.2666   16.451   30.600   24.797 -18.2215   21.986  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   12    6 f  ?   ?  -34.4574   19.967 -42.2078   24.919 -20.5561   33.373  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   12    7 o  ?   ?    22.074   19.087   60.927   34.820   5.3851   22.821  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   12    8 o  ?   ?  -13.9373   18.952   8.0683   32.867 -24.8996   23.198  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   14    1 o  ?   ?    6.2968   15.882   25.304   23.918  -8.6915   21.240  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   14    2 o  ?   ?  -26.4477   17.522   12.985   32.412 -42.7314   20.828  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   14    3 o  ?   ?  -23.1267   15.944   6.6497   24.897 -43.8261   20.759  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   14    4 o  ?   ?    37.867   16.563   47.366   25.061   30.499   22.071  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   14    5 o  ?   ?    43.524   20.091   20.449   24.746   88.146   34.412  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   14    6 o  ?   ?  -19.4287   20.492 -20.7699   25.060 -16.7220   35.600  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   14    7 f  ?   ?  -14.5313   25.300 -11.8000   34.185 -17.8390   37.620  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   14    8 o  ?   ?   -4.0019   18.640   24.171   32.316 -18.0497   22.819  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   16    1 o  ?   ?  -23.3257   16.353 -25.1391   24.642 -21.8985   21.861  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   16    2 o  ?   ?    19.753   19.880   22.614   25.758   15.537   31.265  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   16    3 o  ?   ?   -2.2118   16.321 -11.5619   25.325   4.4303   21.345  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   16    4 o  ?   ?  -18.1466   16.458  -3.1411   24.759 -30.0260   22.030  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   16    5 o  ?   ?    12.751   19.978   28.736   25.556 -12.3659   32.036  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   16    6 o  ?   ?  -23.8280   19.710 -23.1854   34.932 -24.1281   23.873  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   16    7 o  ?   ?    28.088   20.274   12.771   34.362   36.268   25.111  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   18    1 o  ?   ?    15.644   16.346   10.001   25.815   19.421   21.119  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   18    2 o  ?   ?  -26.1897   16.060 -18.5327   24.668 -31.8233   21.159  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   18    3 o  ?   ?  -14.6125   16.758   17.294   25.436 -39.0831   22.276  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   18    4 o  ?   ?    26.797   16.750   12.386   25.127   38.321   22.470  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   18    5 o  ?   ?  -17.0263   25.079  -5.4634   34.727 -29.6293   36.256  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   18    6 o  ?   ?  -10.3212   20.068   27.210   33.499 -31.3293   25.063  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   18    7 o  ?   ?  -12.7191   19.704   32.902   33.199 -37.5283   24.482  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   20    1 o  ?   ?   -1.0382   15.481   4.6387   24.672  -4.7249   19.882  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   20    2 o  ?   ?   -2.1299   15.877  -9.5399   24.388   3.3202   20.916  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   20    3 o  ?   ?  -34.0840   16.874 -19.2408   25.406 -45.7998   22.572  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   20    4 o  ?   ?  -24.1787   18.046 -25.9908   27.033 -22.7220   24.238  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   20    5 o  ?   ?  -24.6096   26.396   8.2732   36.045 -62.6342   38.761  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   20    6 o  ?   ?  -20.8244   20.576 -44.0049   35.505  -9.1025   25.248  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   22    1 o  ?   ?    11.033   16.687   72.732   35.708  -6.2079   18.875  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   22    2 o  ?   ?  -18.9287   17.914 -29.8537   35.136 -15.0914   20.824  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   22    3 o  ?   ?  -20.4116   18.978 -80.5366   34.683   5.2848   22.674  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   22    4 o  ?   ?    20.225   25.478   2.7098   37.405   35.385   34.799  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   22    5 o  ?   ?  -11.6893   20.893 -15.0585   36.548 -10.0538   25.464  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   22    6 o  ?   ?    6.3043   19.519 -40.1854   34.308   28.554   23.734  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   24    1 o  ?   ?    27.590   17.486  -8.0293   36.593   38.130   19.905  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   24    2 o  ?   ?    4.2397   18.337   13.410   36.182   1.0706   21.270  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   24    3 o  ?   ?    34.894   20.027   30.244   36.023   36.974   24.093  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   24    4 o  ?   ?    23.829   36.339   23.829   36.339   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   24    5 o  ?   ?  -46.2235   24.075   0.0000   0.0000 -46.2235   24.075  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   26    1 o  ?   ?   -4.1422   15.902  -6.9208   24.463  -2.1090   20.926  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   26    2 o  ?   ?    13.719   16.821 -38.8521   25.789   52.644   22.191  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   26    3 o  ?   ?    5.4279   20.364   6.2098   36.053   5.0617   24.677  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   26    4 o  ?   ?   -2.3256   20.255 -19.7994   25.306   28.824   33.788  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   28    1 o  ?   ?    0.7615   15.898   25.777   23.539 -20.2196   21.557  ?   ?   ?   ?  0.000000      ? 
1 1 1  -40   28    2 o  ?   ?   -9.9646   16.394   19.831   24.271 -34.9653   22.232  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    1    1 o  ?   ?    21.431   17.621   26.563   23.004   14.146   27.411  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    1    2 o  ?   ?    7.7893   20.154   46.020   29.676 -24.9415   27.458  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    1    3 o  ?   ?    33.415   20.837   51.073   29.091   14.810   29.860  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    1    4 f  ?   ?   -4.3452   15.525   5.2739   21.300 -15.2486   22.677  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    1    5 o  ?   ?   -4.3448   16.468 -31.6305   23.326   22.768   23.252  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    1    6 o  ?   ?    31.776   17.638   77.757   25.651  -9.4648   24.293  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    1    7 o  ?   ?    39.332   18.141   36.397   25.475   42.352   25.839  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    1    8 o  ?   ?   -5.3311   17.604  -8.1125   23.883  -2.0221   26.050  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    1    9 o  ?   ?  -11.9291   23.264   14.576   33.378 -36.9659   32.441  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    1   10 o  ?   ?    0.4697   18.777 -10.9507   27.315   10.703   25.856  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    3    1 f  ?   ?    23.615   17.565   16.653   22.313   34.961   28.484  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    3    2 o  ?   ?    14.704   20.983   20.502   30.180   9.2780   29.194  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    3    3 o  ?   ?    1.3676   20.154 -32.3171   27.809   38.634   29.250  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    3    4 o  ?   ?  -34.8519   15.578 -27.8930   21.653 -42.3172   22.427  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    3    5 o  ?   ?   -3.2855   15.943 -15.7133   22.518   9.2058   22.575  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    3    6 o  ?   ?  -19.1963   16.679 -10.8600   23.470 -27.7013   23.706  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    3    7 o  ?   ?    22.584   17.659   18.783   24.149   26.952   25.889  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    3    8 o  ?   ?    26.592   19.143   15.766   22.697   53.268   35.629  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    3    9 o  ?   ?    14.724   24.745   11.507   33.701   18.488   36.449  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    3   10 o  ?   ?    0.6879   20.409   13.237   24.861 -25.2488   35.741  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    5    1 o  ?   ?    3.6796   17.120  -9.4367   22.235   22.776   26.829  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    5    2 o  ?   ?    24.839   20.464   32.332   29.436   17.829   28.470  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    5    3 o  ?   ?  -12.9026   18.033 -14.2293   29.959 -12.1488   22.582  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    5    4 o  ?   ?    4.2883   15.884   11.249   22.575  -2.5364   22.354  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    5    5 o  ?   ?    20.926   16.163   36.760   22.882   5.1573   22.835  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    5    6 f  ?   ?  -10.1553   16.639 -12.3617   23.806  -8.0479   23.266  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    5    7 o  ?   ?   -1.6438   17.186  -1.8829   23.540  -1.3708   25.150  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    5    8 o  ?   ?    6.7871   18.126  -1.4886   21.237   28.995   34.789  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    5    9 o  ?   ?  -48.2803   20.887 -23.7122   31.825 -66.8716   27.684  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    5   10 o  ?   ?    15.506   17.617   8.7346   24.043   23.355   25.887  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    7    1 o  ?   ?    15.004   17.664   1.4708   22.564   36.424   28.387  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    7    2 o  ?   ?   -9.0348   20.008 -10.0829   28.126  -7.9610   28.469  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    7    3 o  ?   ?    17.640   17.840   42.522   30.597   4.8243   21.959  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    7    4 o  ?   ?   -7.3400   21.161   0.0000   0.0000  -7.3400   21.161  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    7    5 o  ?   ?    5.9431   16.293   18.832   22.976  -7.0952   23.109  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    7    6 o  ?   ?    6.8745   16.411   5.2505   22.529   8.7107   23.955  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    7    7 o  ?   ?  -21.4070   16.453  -3.1607   22.963 -40.6567   23.586  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    7    8 f  ?   ?    10.874   19.036   10.810   22.537   11.034   35.557  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    7    9 o  ?   ?  -34.7855   21.191 -26.1951   31.693 -41.7311   28.498  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    9    1 o  ?   ?    4.6240   18.026   5.5122   23.015   3.2146   28.992  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    9    2 o  ?   ?  -16.4869   16.918   11.195   29.438 -30.1386   20.673  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    9    3 o  ?   ?  -31.8647   16.916 -52.1463   30.188 -22.5823   20.423  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    9    4 o  ?   ?   -1.8647   16.261   11.146   23.369 -14.0783   22.641  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    9    5 o  ?   ?    42.531   16.339   10.701   23.045   74.707   23.170  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    9    6 o  ?   ?  -29.0556   16.514  -2.4934   22.927 -57.6939   23.807  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    9    7 o  ?   ?    3.1369   16.240   21.834   22.954 -15.6055   22.981  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    9    8 o  ?   ?    14.736   19.000   21.835   23.005  -0.4990   33.701  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39    9    9 o  ?   ?  -38.8498   21.140 -18.2780   32.681 -53.6502   27.721  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   11    1 o  ?   ?  -12.0520   17.485 -24.3171   30.235  -5.8892   21.432  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   11    2 o  ?   ?  -16.4964   17.056  -0.1608   30.139 -24.1931   20.688  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   11    3 o  ?   ?  -25.1822   15.878 -77.0095   24.775   10.944   20.685  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   11    4 o  ?   ?  -30.4719   16.093  -0.7379   23.791 -55.5545   21.851  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   11    5 o  ?   ?  -13.6590   15.895   6.9400   22.646 -33.6597   22.315  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   11    6 o  ?   ?   -0.7311   16.052 -28.0324   22.990   25.236   22.422  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   11    7 o  ?   ?   -6.1702   23.759   17.088   34.092 -28.1317   33.128  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   11    8 o  ?   ?   -7.1537   17.057   16.035   24.351 -29.4897   23.899  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   11    9 o  ?   ?   -2.6487   20.463  -1.0649   33.475  -3.5936   25.857  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   13    1 o  ?   ?  -31.2060   18.922  -4.5142   24.258 -72.6829   30.239  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   13    2 o  ?   ?   -8.0704   17.863 -46.1707   31.201   10.506   21.786  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   13    3 o  ?   ?  -31.6554   15.898 -13.8853   24.971 -43.7691   20.617  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   13    4 o  ?   ?    0.8545   15.950   14.966   23.806 -10.6411   21.487  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   13    5 o  ?   ?    0.0038   16.014  -3.1203   23.464   2.7282   21.911  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   13    6 o  ?   ?   -2.4692   15.768   15.480   23.894 -16.3180   20.988  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   13    7 o  ?   ?    11.042   20.536  -9.6133   24.834   55.707   36.519  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   13    8 o  ?   ?   -0.9183   16.495  -7.5148   24.529   4.5273   22.287  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   13    9 o  ?   ?  -25.9526   19.673 -34.5073   34.006 -21.6495   24.118  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   15    1 o  ?   ?    19.305   16.360  -1.3841   25.101   34.585   21.571  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   15    2 o  ?   ?  -10.8496   18.427 -23.8342   31.181  -3.8817   22.842  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   15    3 o  ?   ?  -17.9214   16.271  -5.4325   25.206 -26.8435   21.304  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   15    4 o  ?   ?    4.7755   15.069   18.778   22.528  -6.5623   20.271  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   15    5 o  ?   ?    10.164   15.520   39.508   24.449  -9.6420   20.086  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   15    6 o  ?   ?    20.150   19.241   83.902   36.845  -3.7569   22.563  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   15    7 o  ?   ?  -23.9813   20.314 -11.9313   25.041 -47.1707   34.739  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   15    8 o  ?   ?   -6.4539   16.567  -1.1158   24.359 -11.0483   22.599  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   15    9 o  ?   ?    16.058   18.430   22.141   33.327   13.378   22.120  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   17    1 o  ?   ?  -20.1279   17.963 -23.3707   32.093 -18.6486   21.676  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   17    2 o  ?   ?   -5.1227   17.983  -8.1756   30.682  -3.5253   22.195  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   17    3 o  ?   ?  -20.1106   16.390  -4.8551   24.071 -33.2966   22.379  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   17    4 o  ?   ?   -3.7017   15.669   13.865   23.744 -17.2528   20.854  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   17    5 o  ?   ?    0.8623   16.291  -9.6348   25.100   8.5036   21.415  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   17    6 o  ?   ?    0.6637   25.326   0.6637   25.326   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   17    7 o  ?   ?  -40.9389   17.507 -21.4319   23.995 -63.1426   25.600  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   17    8 o  ?   ?    22.755   16.683   11.870   23.097   34.628   24.122  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   19    1 o  ?   ?    22.735   18.015   77.171   33.111  -0.1553   21.471  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   19    2 o  ?   ?    5.1490   18.200  -9.1902   30.796   12.846   22.562  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   19    3 o  ?   ?  -30.8640   16.407 -38.5634   23.665 -23.7381   22.767  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   19    4 o  ?   ?    21.176   15.835   34.403   25.276   12.630   20.316  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   19    5 o  ?   ?    18.269   16.546   48.602   25.067  -5.1523   22.027  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   19    6 o  ?   ?   -4.1441   20.076   1.9765   24.278 -17.3805   35.703  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   19    7 o  ?   ?    17.652   16.778 -13.5639   23.489   50.167   23.973  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   19    8 f  ?   ?    14.427   16.651 -15.1588   22.805   48.209   24.369  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   21    1 o  ?   ?    8.2743   17.845   27.537   32.375  -0.1325   21.388  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   21    2 o  ?   ?  -21.2899   16.139 -21.1133   23.619 -21.4445   22.104  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   21    3 o  ?   ?   -0.7914   16.111   11.696   24.824  -9.8776   21.176  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   21    4 o  ?   ?    16.432   19.662   0.2029   38.626   22.109   22.844  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   21    5 o  ?   ?  -13.5736   17.086   2.7717   25.428 -27.0294   23.071  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   21    6 o  ?   ?    10.725   20.080   37.890   24.086 -51.1707   36.357  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   21    7 o  ?   ?    16.281   16.648   29.661   23.071   1.7464   24.046  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   23    1 o  ?   ?  -16.5563   16.832 -17.1854   29.163 -16.2420   20.612  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   23    2 o  ?   ?    17.559   16.018   5.5004   23.598   27.863   21.814  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   23    3 o  ?   ?  -10.8551   16.521 -32.3309   25.081   5.6044   21.957  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   23    4 o  ?   ?   -8.7094   20.536   7.1931   25.542 -37.7854   34.537  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   23    5 o  ?   ?    1.1771   20.412   0.8866   24.687   1.8049   36.292  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   23    6 o  ?   ?  -13.6533   16.513 -30.9030   22.518   6.4162   24.289  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   23    7 o  ?   ?    10.215   16.115   12.171   22.297   8.0756   23.318  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   25    1 o  ?   ?    32.204   16.529   32.546   28.561   32.031   20.267  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   25    2 o  ?   ?    21.479   15.362   1.5999   22.633   38.460   20.918  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   25    3 o  ?   ?    20.600   18.924   10.146   36.379   24.478   22.158  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   25    4 o  ?   ?  -22.2133   17.002 -15.1860   25.212 -28.0742   23.025  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   25    5 o  ?   ?    11.268   19.952   14.553   24.023   3.9610   35.823  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   25    6 o  ?   ?    24.638   16.765   47.329   23.215  -0.0957   24.237  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   27    1 o  ?   ?    9.4390   18.072  -0.8980   37.648   12.534   20.601  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   27    2 o  ?   ?  -11.9183   15.505 -37.1959   23.205   8.4684   20.839  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   27    3 o  ?   ?    6.7671   19.534 -25.3919   24.383   64.390   32.638  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   27    4 o  ?   ?  -12.5196   16.919  -6.3560   24.186 -18.4267   23.677  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   27    5 o  ?   ?    9.0958   20.197   24.387   24.635 -22.2537   35.273  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   29    1 o  ?   ?  -48.9336   18.046 -48.8781   32.853 -48.9576   21.595  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   29    2 o  ?   ?    18.616   18.873   45.941   36.622   8.7347   22.023  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   29    3 o  ?   ?   -8.4600   18.384   0.9746   33.776 -12.4319   21.915  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   29    4 o  ?   ?    21.609   23.411   2.9454   33.367   39.702   32.854  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   31    1 o  ?   ?  -17.7788   22.985   0.0000   0.0000 -17.7788   22.985  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   31    2 o  ?   ?    12.203   23.191  -3.9107   33.307   27.366   32.310  ?   ?   ?   ?  0.000000      ? 
1 1 1  -39   31    3 o  ?   ?    14.242   17.980  -8.3073   32.856   23.882   21.483  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    0    1 o   46.959   29.816   5.3473   21.085   5.3473   21.085   5.3473   21.085   46.959   29.816   46.959   29.816 0.000000 0.000000 
1 1 1  -38    0    2 o   32.426   22.967 -24.3759   21.366 -24.3759   21.366 -24.3759   21.366   32.426   22.967   32.426   22.967 0.000000 0.000000 
1 1 1  -38    0    3 o   80.743   36.819   36.625   22.349   36.625   22.349   36.625   22.349   80.743   36.819   80.743   36.819 0.000000 0.000000 
1 1 1  -38    0    4 o   50.528   33.343   0.7171   30.058   0.7171   30.058   0.7171   30.058   50.528   33.343   50.528   33.343 0.000000 0.000000 
1 1 1  -38    0    5 o   50.420   33.397   0.5137   30.613   0.5137   30.613   0.5137   30.613   50.420   33.397   50.420   33.397 0.000000 0.000000 
1 1 1  -38    0    6 o   28.424   20.710 -48.7298   23.824 -48.7298   23.824 -48.7298   23.824   28.424   20.710   28.424   20.710 0.000000 0.000000 
1 1 1  -38    0    7 o   42.793   28.845  -4.1036   24.661  -4.1036   24.661  -4.1036   24.661   42.793   28.845   42.793   28.845 0.000000 0.000000 
1 1 1  -38    0    8 o   43.620   29.352  -2.2104   25.328  -2.2104   25.328  -2.2104   25.328   43.620   29.352   43.620   29.352 0.000000 0.000000 
1 1 1  -38    0    9 o   54.156   33.224   17.525   23.966   17.525   23.966   17.525   23.966   54.156   33.224   54.156   33.224 0.000000 0.000000 
1 1 1  -38    0   10 o   48.640   33.363   1.4917   36.106   1.4917   36.106   1.4917   36.106   48.640   33.363   48.640   33.363 0.000000 0.000000 
1 1 1  -38    0   11 o   31.549   22.822 -33.6551   26.217 -33.6551   26.217 -33.6551   26.217   31.549   22.822   31.549   22.822 0.000000 0.000000 
1 1 1  -38    2    1 o   28.900   14.637   10.856   14.813   30.630   20.745  -9.7115   21.157  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    2    2 o  ?   ?   -8.1495   15.167 -24.3585   21.951   6.6570   20.980  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    2    3 o  ?   ?   -0.7759   15.550  -2.4514   21.819   0.9537   22.168  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    2    4 o  ?   ?    21.830   21.387  -5.3805   30.571   47.912   29.931  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    2    5 o  ?   ?    32.427   21.805   16.780   30.908   47.932   30.767  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    2    6 o  ?   ?   -9.1004   16.538   10.870   22.726 -31.5817   24.113  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    2    7 o  ?   ?    6.4862   17.740   5.3895   24.964   7.6047   25.212  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    2    8 o  ?   ?  -13.1296   17.527 -37.4345   23.835   15.487   25.863  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    2    9 o  ?   ?  -23.9583   17.230   5.3630   24.299 -53.6085   24.435  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    2   10 o  ?   ?   -0.6312   21.257   31.989   25.946 -67.2195   37.070  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    2   11 f  ?   ?    0.0849   20.086 -19.6683   32.416   12.396   25.591  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4    1 o   28.366   14.406   9.0021   15.046   21.256   21.256  -3.3009   21.299  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4    2 o   28.275   14.374   9.5481   15.268  -8.7837   21.963   26.691   21.239  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4    3 o  ?   ?    2.2825   15.141 -15.2558   20.977   21.354   21.875  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4    4 o  ?   ?    27.793   21.633   22.698   30.744   32.790   30.445  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4    5 o  ?   ?    43.525   21.795   45.527   32.186   41.829   29.620  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4    6 o  ?   ?  -28.6442   16.673 -38.3830   23.245 -18.3246   23.928  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4    7 o  ?   ?    0.0559   17.347 -27.2185   23.376   33.487   25.880  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4    8 o  ?   ?  -18.5746   17.103  -2.1469   23.011 -38.8493   25.564  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4    9 o  ?   ?    26.775   20.001   37.146   32.257   20.298   25.493  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4   10 o  ?   ?  -16.7672   20.161 -34.4207   24.388   21.341   35.832  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    4   11 o  ?   ?  -30.6726   20.627  -8.2585   33.755 -44.0290   26.057  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    6    1 o  ?   ?    3.9257   15.080   15.123   21.307  -7.3104   21.344  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    6    2 f  ?   ?  -15.8512   15.187   2.7248   21.483 -34.4078   21.471  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    6    3 o  ?   ?    4.3592   15.316   9.5771   21.366  -1.1564   21.967  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    6    4 o  ?   ?   -6.1937   21.238 -26.0927   30.341   12.922   29.738  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    6    5 o  ?   ?    13.265   22.312   27.902   31.667  -1.1673   31.444  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    6    6 o  ?   ?    1.3417   17.040   10.726   23.670  -8.7547   24.552  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    6    7 o  ?   ?   -9.1302   16.767  -7.0764   23.129 -11.4052   24.342  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    6    8 o  ?   ?    16.857   17.317   41.246   23.895 -10.1257   25.133  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    6    9 o  ?   ?    26.340   19.783   27.358   22.690   23.112   40.399  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    6   10 o  ?   ?  -11.6780   18.783 -12.3884   24.270 -10.6170   29.660  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    8    1 o  ?   ?   -5.9704   15.253 -11.9707   21.811  -0.2272   21.339  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    8    2 o  ?   ?  -13.5097   15.139 -14.8740   21.357 -12.1317   21.464  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    8    3 o  ?   ?    10.594   15.497   45.523   21.973 -23.9739   21.859  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    8    4 o  ?   ?  -34.7688   21.865 -52.6829   31.932 -18.9561   30.001  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    8    5 o  ?   ?    29.748   21.691   23.966   30.151   35.951   31.229  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    8    6 o  ?   ?    14.136   16.411   2.7193   22.021   28.395   24.610  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    8    7 o  ?   ?    13.422   16.092   43.419   22.907 -15.8005   22.610  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    8    8 o  ?   ?   -5.6809   17.239 -31.4573   24.629   19.082   24.139  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    8    9 o  ?   ?   -3.9706   18.977  -0.6715   22.011 -13.5268   37.462  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38    8   10 o  ?   ?  -23.9296   17.753  -2.0129   22.910 -56.8666   28.085  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   10    1 o  ?   ?    3.9659   15.284   9.8873   22.340  -1.2448   20.957  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   10    2 o  ?   ?    0.8385   15.056   21.214   21.796 -17.7549   20.821  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   10    3 o  ?   ?    9.4009   17.769   2.4043   22.347   21.429   29.300  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   10    4 o  ?   ?  -14.2224   21.681   17.493   30.609 -46.1561   30.714  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   10    5 o  ?   ?  -19.5090   17.985 -40.2819   22.484   17.400   29.970  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   10    6 o  ?   ?  -15.7037   15.881  -4.0327   21.832 -28.8184   23.143  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   10    7 o  ?   ?  -22.8643   15.922 -27.2441   23.460 -19.1240   21.679  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   10    8 o  ?   ?    28.119   19.681  -4.9476   24.549   87.610   32.928  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   10    9 o  ?   ?   -1.2253   18.869   0.2714   21.983  -5.4146   36.779  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   10   10 o  ?   ?    21.843   17.331   31.584   22.522   7.7006   27.137  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   12    1 o  ?   ?    19.106   21.205   0.0000   0.0000   19.106   21.205  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   12    2 o  ?   ?    17.789   18.046   6.6886   22.838   36.239   29.444  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   12    3 o  ?   ?  -51.7816   18.082 -55.0703   23.267 -46.7659   28.734  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   12    4 o  ?   ?  -15.7401   21.999 -25.4732   31.857  -6.8683   30.415  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   12    5 o  ?   ?   -7.4110   18.227 -22.7763   22.597   21.200   30.835  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   12    6 o  ?   ?    0.9764   15.701   18.424   22.786 -14.7986   21.666  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   12    7 o  ?   ?  -21.7285   15.768 -14.1283   23.114 -28.3446   21.566  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   12    8 o  ?   ?    12.152   17.244   57.677   24.391 -33.3457   24.383  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   12    9 o  ?   ?    26.034   19.512   18.946   23.361   42.385   35.484  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   12   10 f  ?   ?    8.6896   16.904   2.4688   21.821   18.023   26.729  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   14    1 o  ?   ?  -36.7762   18.113 -20.6391   22.215 -68.7805   31.284  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   14    2 o  ?   ?   -8.5171   19.004   3.3948   24.073 -28.2195   30.960  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   14    3 o  ?   ?    10.399   18.712   21.284   24.489  -4.8741   29.007  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   14    4 o  ?   ?  -21.7377   21.516 -50.4390   31.073   4.6976   29.821  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   14    5 o  ?   ?    10.778   15.683   4.9254   22.469   16.339   21.900  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   14    6 o  ?   ?   -0.2300   18.455   21.415   36.105  -7.8847   21.471  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   14    7 o  ?   ?   -1.7016   16.781   37.161   24.896 -34.0600   22.717  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   14    8 o  ?   ?  -12.2870   19.239   6.2824   24.369 -43.0098   31.345  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   14    9 o  ?   ?    10.348   16.645 -13.5985   23.613   33.998   23.467  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   14   10 o  ?   ?    43.600   16.935   39.262   22.730   49.013   25.391  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   16    1 o  ?   ?    10.661   18.472   4.0260   23.074   22.502   30.825  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   16    2 o  ?   ?   -6.2002   19.094  -0.1486   23.587 -17.7073   32.525  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   16    3 o  ?   ?  -11.6498   22.441 -24.3902   33.257  -0.9990   30.407  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   16    4 o  ?   ?  -14.9878   18.360   27.859   32.645 -34.8102   22.204  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   16    5 o  ?   ?  -20.3356   15.778 -21.1965   24.258 -19.7044   20.771  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   16    6 o  ?   ?  -32.8185   16.181 -34.6465   24.540 -31.4125   21.522  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   16    7 o  ?   ?   -2.6699   16.543  -8.1625   25.335   1.4126   21.842  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   16    8 o  ?   ?  -25.8886   18.570 -27.4772   22.840 -22.7902   31.897  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   16    9 o  ?   ?  -26.2655   15.696 -27.6841   23.247 -25.0769   21.280  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   18    1 f  ?   ?    1.3527   19.273   21.618   24.375 -32.4488   31.481  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   18    2 o  ?   ?   -7.2537   16.706  -6.7416   23.481  -7.7785   23.774  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   18    3 o  ?   ?    5.9917   19.345   22.151   32.560  -2.8237   24.049  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   18    4 o  ?   ?  -14.3858   16.246 -22.1317   25.202  -8.8790   21.250  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   18    5 o  ?   ?   -4.1037   17.708   15.068   35.616 -10.3995   20.410  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   18    6 o  ?   ?    1.7664   16.441  -8.9647   25.430   9.4729   21.550  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   18    7 o  ?   ?    25.855   17.253   54.360   24.784  -0.9418   24.031  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   18    8 o  ?   ?   -0.7822   16.918   9.7560   22.725 -13.8868   25.341  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   18    9 o  ?   ?    1.4800   15.696   1.9695   23.364   1.0774   21.190  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   20    1 o  ?   ?    3.6220   16.128   11.969   23.609  -3.6817   22.085  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   20    2 o  ?   ?   -3.2815   16.729 -18.1704   24.285   10.165   23.079  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   20    3 o  ?   ?    48.178   23.527   47.322   30.867   49.366   36.345  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   20    4 o  ?   ?    3.7858   16.065 -23.0199   25.142   22.282   20.885  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   20    5 o  ?   ?    21.094   18.214   15.945   24.510   27.444   27.218  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   20    6 o  ?   ?    27.665   16.668   40.055   25.892   18.895   21.783  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   20    7 o  ?   ?   -2.5267   19.607   32.219   23.473 -82.7317   35.662  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   20    8 o  ?   ?  -26.6846   16.032 -36.5258   22.139 -15.8321   23.248  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   20    9 f  ?   ?  -14.0133   15.386 -16.6223   21.360 -11.1993   22.183  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   22    1 o  ?   ?  -32.2757   15.874  -3.6492   22.667 -59.8303   22.239  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   22    2 o  ?   ?   -1.1724   16.609 -10.8927   24.905   6.6134   22.289  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   22    3 o  ?   ?   -0.7699   17.895 -33.2927   33.127   12.631   21.265  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   22    4 o  ?   ?   -0.7725   17.049 -24.5823   26.701   15.616   22.152  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   22    5 f  ?   ?  -12.4315   16.110 -48.4202   25.042   12.981   21.043  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   22    6 o  ?   ?    29.594   16.818   7.7573   24.614   48.716   23.032  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   22    7 o  ?   ?    41.625   19.222   31.913   22.565   67.317   36.701  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   22    8 o  ?   ?    29.855   15.989   18.175   22.127   42.617   23.129  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   24    1 o  ?   ?    15.892   15.667   3.6067   22.379   27.699   21.939  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   24    2 o  ?   ?  -13.2558   17.163 -27.0634   30.323  -6.7475   20.818  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   24    3 o  ?   ?  -31.1309   16.549 -45.4834   26.069 -21.4440   21.417  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   24    4 o  ?   ?    2.8508   20.000  -4.8696   25.298   15.717   32.658  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   24    5 o  ?   ?  -33.6244   16.739 -53.5087   25.445 -18.4553   22.225  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   24    6 o  ?   ?   -2.2906   19.435   20.121   23.178 -55.3658   35.668  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   24    7 o  ?   ?  -17.5318   15.885  -6.0110   22.028 -30.0129   22.928  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   24    8 o  ?   ?    0.5981   15.220   4.8872   20.965  -4.1818   22.132  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   26    1 o  ?   ?    11.119   15.177  -1.5207   22.721   21.301   20.393  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   26    2 o  ?   ?    20.967   17.192   5.9512   29.639   28.580   21.106  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   26    3 o  ?   ?  -17.2410   16.306 -33.4030   24.783  -4.9046   21.653  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   26    4 o  ?   ?    22.574   16.579   8.9204   24.119   34.805   22.827  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   26    5 o  ?   ?  -17.3966   16.615   24.290   23.905 -56.3554   23.110  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   26    6 o  ?   ?    4.8487   19.178   5.9755   22.512   1.8663   36.623  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   26    7 o  ?   ?    9.5169   15.615   2.7780   20.758   18.301   23.700  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   28    1 o  ?   ?   -5.6322   14.858   13.169   22.569 -20.0155   19.740  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   28    2 o  ?   ?  -11.8964   21.195   0.0000   0.0000 -11.8964   21.195  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   28    3 o  ?   ?    4.2477   15.542  -7.6875   22.856   14.512   21.196  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   28    4 o  ?   ?   -4.7880   15.762   1.4468   22.288 -11.0258   22.293  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   28    5 o  ?   ?  -18.4122   23.838 -18.4122   23.838   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   28    6 o  ?   ?    9.5829   19.786   33.907   33.882  -3.0050   24.374  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   30    1 o  ?   ?    22.880   18.067   19.493   31.141   24.598   22.182  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   30    2 o  ?   ?  -27.3977   16.112 -44.1271   22.986 -11.2405   22.590  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   30    3 o  ?   ?    1.6865   14.923 -12.1029   21.661   14.144   20.588  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   30    4 o  ?   ?    0.8401   15.839   14.002   22.850 -11.3322   21.975  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   30    5 o  ?   ?    21.382   19.466   24.198   23.626   15.429   34.352  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   30    6 o  ?   ?    35.351   33.482   0.0000   0.0000   35.351   33.482  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   32    1 o  ?   ?    6.8163   22.929   0.0000   0.0000   6.8163   22.929  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   32    2 o  ?   ?   -8.1717   15.166  -3.5351   21.917 -12.4322   21.009  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   32    3 o  ?   ?    7.8652   15.598   26.078   22.719  -8.3771   21.454  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   32    4 o  ?   ?  -10.9609   15.712 -34.8711   22.483   11.863   21.967  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   32    5 o  ?   ?   -0.3722   18.184  -0.3523   22.056  -0.4143   32.130  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   34    1 o  ?   ?  -32.5851   24.013 -65.5122   36.331  -7.0439   31.998  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   34    2 o  ?   ?    28.515   17.864   10.683   31.366   37.077   21.733  ?   ?   ?   ?  0.000000      ? 
1 1 1  -38   34    3 o  ?   ?    5.0202   18.043 -12.5073   32.759   12.652   21.617  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    1    1 o  ?   ?  -16.9667   14.950 -34.4970   21.086   0.7535   21.199  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    1    2 o   36.990   18.093   18.392   15.439   38.289   21.934  -1.1442   21.734   39.360   19.654  ?   ?  0.000000 19.65389 
1 1 1  -37    1    3 o   32.173   16.146   5.0103   15.696   29.255   22.072 -19.7933   22.324   36.624   18.475  ?   ?  0.000000 18.47519 
1 1 1  -37    1    4 o   33.350   16.643   11.604   15.625 -16.5548   22.196   39.267   22.000  ?   ?    37.770   18.975 0.000000 18.97544 
1 1 1  -37    1    5 o  ?   ?  -15.2402   15.754 -33.1513   22.194   2.9516   22.367  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    1    6 o   35.919   17.777   29.049   16.419   31.536   23.179   26.545   23.260  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    1    7 o  ?   ?    20.590   23.760   42.380   33.511  -1.4385   33.693  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    1    8 f   33.950   17.089   42.445   18.323   41.715   25.470   43.229   26.378  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    1    9 o  ?   ?   -4.5781   17.333   3.4424   24.840 -12.1892   24.198  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    1   10 o  ?   ?   -5.0722   17.936 -11.5938   26.081   0.7797   24.706  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    1   11 o  ?   ?  -32.3465   22.416 -37.6683   38.282 -29.5696   27.653  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    3    1 o   38.179   18.491   20.365   15.069   22.359   21.246   18.346   21.378   36.246   18.265   35.411   17.899 0.8350067 25.57303 
1 1 1  -37    3    2 o   28.507   14.456 -10.4254   14.762 -15.7340   20.449  -4.6481   21.333  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    3    3 o   35.316   17.420   15.462   15.302  -8.9181   21.724   39.471   21.557  ?   ?    39.030   19.488 0.000000 19.48844 
1 1 1  -37    3    4 o   37.529   18.318   24.122   15.582   27.883   21.907   20.270   22.166   35.405   17.917   34.017   17.296 1.388123 24.90322 
1 1 1  -37    3    5 o  ?   ?  -23.0602   16.008 -33.0162   22.546 -12.9385   22.733  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    3    6 o  ?   ?  -10.2617   18.785 -11.6878   32.315  -9.5338   23.086  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    3    7 o  ?   ?  -32.4035   23.341 -53.8537   32.229  -8.7415   33.850  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    3    8 o  ?   ?    9.4784   17.435   21.000   23.836  -3.7810   25.570  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    3    9 o  ?   ?   -3.2312   17.941 -31.9757   26.673   20.521   24.246  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    3   10 o  ?   ?   -4.0997   17.990   22.985   25.250 -32.0180   25.636  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    3   11 o  ?   ?    21.257   21.212   2.1847   25.880   60.293   37.024  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    5    1 o   31.417   15.768   1.1845   14.987  -6.3334   20.640   9.5673   21.795  ?   ?    33.620   17.100 0.000000 17.09965 
1 1 1  -37    5    2 o   42.979   20.212   32.105   15.404   39.636   21.385   23.984   22.207   39.655   19.737   35.828   18.121 3.826439 26.79434 
1 1 1  -37    5    3 o   33.347   16.605   9.9538   15.203   2.1706   21.463   17.792   21.539  ?   ?    34.296   17.399 0.000000 17.39886 
1 1 1  -37    5    4 o   34.783   17.252   17.308   15.779   33.607   22.180   0.6051   22.453   36.159   18.273  ?   ?  0.000000 18.27306 
1 1 1  -37    5    5 o  ?   ?   -2.9097   16.224   18.634   23.048 -24.0709   22.842  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    5    6 o  ?   ?    6.4743   19.120   4.0478   33.429   7.6541   23.309  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    5    7 o  ?   ?  -14.6257   19.522 -39.2451   24.250   30.712   32.908  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    5    8 o  ?   ?  -23.5032   17.344 -26.2697   24.061 -20.5113   25.022  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    5    9 o  ?   ?    5.3801   17.496   25.198   25.457 -12.3601   24.086  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    5   10 o  ?   ?    0.5845   17.619   48.529   25.047 -46.3833   24.791  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    5   11 o  ?   ?    7.3436   20.457  -3.5792   25.091   29.000   35.330  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    7    1 o   31.593   15.850   2.5639   15.070  -5.4060   21.041   10.958   21.595  ?   ?    33.587   17.077 0.000000 17.07672 
1 1 1  -37    7    2 o   32.750   16.356   7.3229   15.215   21.504   21.333  -7.3605   21.707   35.254   17.825  ?   ?  0.000000 17.82464 
1 1 1  -37    7    3 o   31.563   15.856   4.5003   15.347   3.4949   21.357   5.5736   22.067  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    7    4 o   34.140   16.996   16.277   15.894   26.387   22.559   6.3115   22.397   34.433   17.502  ?   ?  0.000000 17.50180 
1 1 1  -37    7    5 o   29.340   14.908   0.0157   16.256 -14.5293   23.441   13.491   22.562  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    7    6 o  ?   ?    11.614   18.943   26.088   30.959   2.9522   23.950  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    7    7 o  ?   ?  -11.7863   18.762 -37.9979   23.458   34.751   31.257  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    7    8 f   32.815   16.666   47.036   20.160   79.463   33.493   28.613   25.245  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    7    9 o  ?   ?  -39.4531   24.104 -39.4531   24.104   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    7   10 o  ?   ?  -18.9401   18.012 -51.9067   24.408   20.481   26.690  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    7   11 o  ?   ?   -9.6581   19.886 -14.8502   23.492   3.4668   37.351  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    9    1 o   30.587   15.385   0.1050   14.695  -3.6440   21.386   3.4586   20.227  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    9    2 o   33.795   16.758   11.648   14.854  -0.3958   20.720   24.380   21.304  ?   ?    35.401   17.892 0.000000 17.89181 
1 1 1  -37    9    3 o   35.360   17.453   18.288   15.455   1.0362   21.257   37.631   22.508  ?   ?    36.929   18.633 0.000000 18.63261 
1 1 1  -37    9    4 o   31.683   15.961   8.5910   16.150   14.752   22.857   2.4491   22.822  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    9    5 o   29.890   15.176   4.0164   16.613  -6.9179   23.279   15.367   23.717  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    9    6 o  ?   ?  -22.5006   19.286 -17.4439   32.054 -25.3699   24.145  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    9    7 o  ?   ?    12.062   18.304   18.886   23.816   2.2146   28.610  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    9    8 o  ?   ?   -3.4351   18.728   21.215   24.260 -39.7902   29.461  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    9    9 o  ?   ?    21.516   17.362   21.116   24.251   21.937   24.868  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    9   10 o  ?   ?    8.9357   19.354   8.2346   22.624   10.849   37.372  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37    9   11 o  ?   ?    8.9527   17.248   15.458   23.312   1.0843   25.638  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   11    1 o  ?   ?  -14.9588   14.740  -7.3920   20.958 -22.3665   20.736  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   11    2 o   28.086   14.279  -9.4557   15.084 -42.2465   21.440   22.682   21.225  ?   ?    34.587   17.517 0.000000 17.51750 
1 1 1  -37   11    3 o  ?   ?  -10.7011   15.492   1.5744   22.217 -22.3179   21.613  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   11    4 o   35.648   17.661   24.733   16.361   10.725   23.013   39.052   23.266  ?   ?    35.312   17.931 0.000000 17.93129 
1 1 1  -37   11    5 o  ?   ?  -20.2148   16.347 -40.5076   23.099   0.1480   23.139  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   11    6 o  ?   ?  -12.9572   19.263  -5.8049   31.386 -17.2791   24.398  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   11    7 o  ?   ?    15.828   18.654   46.592   25.316 -20.7220   27.593  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   11    8 o  ?   ?    7.4411   17.008  -3.4040   23.897   18.573   24.211  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   11    9 o  ?   ?    25.748   17.352   60.577   24.265 -10.6987   24.822  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   11   10 o  ?   ?    15.477   18.231   25.127   20.810 -16.3707   37.806  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   11   11 o  ?   ?    16.692   16.897   22.133   22.178   9.1662   26.085  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13    1 o  ?   ?  -25.2614   14.626  -9.7007   21.130 -39.5735   20.265  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13    2 o   28.839   14.623  -4.1199   15.087   14.899   21.801 -21.5980   20.899  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13    3 o  ?   ?  -17.3559   15.342 -34.8689   21.284   1.5835   22.134  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13    4 o  ?   ?  -17.2487   16.128 -47.3506   23.166   11.065   22.467  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13    5 o  ?   ?  -16.9241   18.767 -14.9024   32.220 -17.9621   23.087  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13    6 o  ?   ?  -29.0632   18.531 -42.6452   24.389 -10.5122   28.503  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13    7 o  ?   ?    13.717   17.794   9.1528   22.931   20.624   28.209  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13    8 o  ?   ?   -9.7286   16.700  -0.1314   23.620 -19.3223   23.616  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13    9 o  ?   ?    15.633   17.221   2.1404   23.728   30.649   25.032  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13   10 o  ?   ?    13.621   18.239   12.424   20.890   17.459   37.408  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   13   11 o  ?   ?    33.750   16.255   21.217   20.821   53.315   26.013  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   15    1 o   30.341   15.307   3.7196   15.162   16.330   21.785  -8.1276   21.116  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   15    2 o   31.331   15.880   8.8920   17.672 -16.6146   30.826   21.378   21.568  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   15    3 f   43.247   20.467   44.800   16.258   39.573   23.365   49.706   22.637   34.812   17.706   36.988   18.665 -2.175720 25.72693 
1 1 1  -37   15    4 o  ?   ?  -11.8662   16.036  -8.6550   22.340 -15.2790   23.031  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   15    5 o  ?   ?  -13.1711   18.185 -29.8732   31.508  -4.8294   22.267  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   15    6 o  ?   ?   -7.2006   18.209  -6.6790   23.436  -7.9951   28.926  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   15    7 o  ?   ?    16.204   18.576   31.309   23.759  -7.5512   29.795  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   15    8 o  ?   ?  -10.5808   16.629 -46.3720   23.621   24.587   23.414  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   15    9 o  ?   ?   -5.0042   18.813 -23.1096   22.870   32.888   33.086  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   15   10 f  ?   ?    11.100   15.888  -4.9529   21.101   32.116   24.143  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   15   11 o  ?   ?  -10.0373   15.889 -29.5847   21.077   15.699   24.184  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   17    1 o   35.547   17.544   24.537   15.606   4.2810   22.024   44.964   22.117  ?   ?    36.380   18.369 0.000000 18.36941 
1 1 1  -37   17    2 o   30.878   15.686   9.8522   17.927  -1.2428   22.298   30.132   30.146  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   17    3 o   39.413   19.169   40.609   16.645  -3.8954   23.659   84.233   23.423  ?   ?    42.790   21.187 0.000000 21.18695 
1 1 1  -37   17    4 o   32.660   16.398   21.458   16.297   27.728   23.488   15.636   22.631  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   17    5 o  ?   ?    30.235   22.768 -14.0780   37.617   55.854   28.602  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   17    6 o  ?   ?    4.1472   18.258  -3.0395   23.066   16.205   29.877  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   17    7 o  ?   ?    24.270   18.928   27.218   25.137   20.410   28.765  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   17    8 o  ?   ?   -7.8502   16.780 -12.6393   24.252  -3.4519   23.241  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   17    9 o  ?   ?    17.640   17.785   22.598   21.779   7.7171   30.810  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   17   10 o  ?   ?   -9.5394   15.643 -12.7840   22.843  -6.6743   21.465  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   19    1 o  ?   ?  -15.0700   15.734   5.7898   22.905 -33.7062   21.650  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   19    2 o  ?   ?  -26.2629   15.830 -21.8939   22.854 -30.2926   21.949  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   19    3 o  ?   ?   -3.1497   17.033 -15.7919   24.154   9.3551   24.022  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   19    4 f  ?   ?    1.5706   21.950 -15.2537   34.100   13.473   28.682  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   19    5 o  ?   ?    26.055   19.454   29.845   26.581   21.683   28.547  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   19    6 o  ?   ?    13.632   17.938   0.5537   23.472   31.995   27.813  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   19    7 o  ?   ?    9.0542   19.111  -0.9361   25.604   21.620   28.715  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   19    8 f  ?   ?  -39.5083   16.647 -36.9188   22.906 -42.4070   24.235  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   19    9 o  ?   ?    5.8681   14.835   13.884   20.618  -2.7371   21.363  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   19   10 o  ?   ?    20.697   15.143   12.687   23.056   26.774   20.083  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   21    1 o  ?   ?  -16.7220   18.869   7.8327   23.347 -62.9756   32.043  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   21    2 o  ?   ?    8.2741   18.675   7.3137   23.195   10.044   31.487  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   21    3 o  ?   ?    0.3459   24.466   0.3459   24.466   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   21    4 o  ?   ?    12.976   28.404   0.0000   0.0000   12.976   28.404  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   21    5 o  ?   ?    4.3946   18.487 -20.8152   25.050   34.546   27.395  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   21    6 o  ?   ?   -7.1886   18.189 -28.2490   23.951   21.507   27.957  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   21    7 o  ?   ?   -4.4555   16.895 -28.1849   24.888   15.826   23.009  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   21    8 o  ?   ?    6.9807   18.934   32.921   22.119 -64.1463   36.627  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   21    9 o  ?   ?  -14.2072   14.717  -3.6599   21.045 -24.3015   20.588  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   21   10 o  ?   ?    12.119   14.465   25.160   21.356   1.0657   19.662  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   23    1 o  ?   ?   -2.6549   18.684   14.099   22.597 -38.8634   33.220  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   23    2 o   32.727   16.568   34.610   18.837   44.876   24.173   18.737   30.059  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   23    3 o   34.204   17.216   43.220   18.576   55.810   24.204   25.176   28.976  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   23    4 f  ?   ?  -23.4805   21.911 -76.1951   33.293   16.795   29.101  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   23    5 o  ?   ?   -8.6601   18.435 -24.0833   24.406   11.834   28.133  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   23    6 o  ?   ?    10.686   16.464 -18.8338   24.292   35.763   22.390  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   23    7 f  ?   ?   -9.4267   16.221  -9.5258   23.101  -9.3302   22.782  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   23    8 o  ?   ?  -31.2731   18.303 -62.5236   21.449   52.439   35.106  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   23    9 o  ?   ?  -17.4400   14.757 -27.5882   20.424  -6.3548   21.346  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   25    1 o   30.512   15.404   20.553   15.519   7.6202   21.716   34.054   22.187  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   25    2 o  ?   ?   -7.3942   15.878   34.818   23.592 -42.3467   21.467  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   25    3 o  ?   ?  -38.1486   18.833 -97.4146   34.680 -13.3627   22.427  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   25    4 o  ?   ?  -21.1623   17.009 -22.9545   26.484 -19.9041   22.191  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   25    5 o  ?   ?  -15.5823   18.483  -9.1707   31.862 -18.8343   22.692  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   25    6 o  ?   ?   -9.6810   16.273   27.454   23.566 -43.5245   22.498  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   25    7 o  ?   ?    2.6828   18.414  -1.3963   21.584   13.595   35.302  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   25    8 o  ?   ?    8.2781   14.438   5.9022   20.310   10.705   20.528  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   25    9 o  ?   ?   -6.7486   14.735 -29.7518   20.670   17.023   21.012  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   27    1 o   31.352   15.728   26.693   14.829   22.442   22.249   30.091   19.891  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   27    2 f  ?   ?  -15.4332   15.787  -0.2234   23.452 -28.0375   21.349  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   27    3 o  ?   ?   -6.9871   20.418 -13.1658   30.751  -2.1156   27.305  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   27    4 o  ?   ?  -13.4223   16.534 -29.7704   25.020  -0.7487   22.030  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   27    5 o  ?   ?    13.133   20.281   30.721   24.924 -21.3366   34.892  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   27    6 o  ?   ?    23.187   16.310   20.176   23.237   26.111   22.898  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   27    7 o  ?   ?    1.7676   18.261   2.4117   20.942  -0.2761   37.303  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   27    8 o  ?   ?   -2.2701   14.336   2.0154   19.967  -6.8298   20.596  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   29    1 o  ?   ?   -4.4658   14.745 -15.8879   22.705   3.8636   19.389  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   29    2 o  ?   ?  -12.8005   15.816 -45.6940   24.258   11.523   20.860  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   29    3 o  ?   ?    11.324   17.819   30.044   30.866   1.9678   21.822  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   29    4 o  ?   ?  -13.4968   15.741   3.0017   22.728 -28.7063   21.822  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   29    5 o  ?   ?    1.2978   16.009  -3.8483   23.140   6.0218   22.171  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   29    6 o  ?   ?    11.388   18.982  -4.0810   22.661   47.771   34.754  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   29    7 o  ?   ?    11.239   14.724   15.742   20.798   6.7151   20.846  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   31    1 o  ?   ?  -24.0247   17.611  -4.6898   33.519 -31.3972   20.698  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   31    2 o  ?   ?   -6.9492   16.850   20.683   30.436 -19.1607   20.234  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   31    3 o  ?   ?   -6.3318   15.510 -25.6517   22.314   11.725   21.572  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   31    4 o  ?   ?   -6.1709   14.799   11.114   21.284 -22.3508   20.592  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   31    5 o  ?   ?   -7.3473   15.177 -36.0577   22.843   15.343   20.307  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   31    6 o  ?   ?  -11.0269   17.771  -2.4622   21.037 -32.3658   33.206  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   31    7 o  ?   ?   -9.1889   14.849 -22.3092   21.397   2.9991   20.623  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   33    1 o  ?   ?    24.441   15.776   26.767   21.848   21.907   22.804  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   33    2 o  ?   ?    4.4540   17.821  -0.1774   30.531   6.8475   21.948  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   33    3 o  ?   ?  -27.0875   15.293 -35.5016   22.240 -19.5408   21.062  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   33    4 o  ?   ?  -19.4037   14.919 -25.6958   21.695 -13.7597   20.548  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   33    5 o  ?   ?   -2.0206   14.629   1.7280   20.466  -5.9370   20.919  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   33    6 o  ?   ?  -30.1912   15.030 -16.1380   21.025 -44.8777   21.493  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   35    1 o  ?   ?   -1.2155   15.245   2.6947   21.744  -4.9950   21.378  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   35    2 o  ?   ?  -15.0322   15.237 -36.3803   21.266   7.4868   21.841  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   35    3 o  ?   ?  -21.8622   14.855 -30.0079   21.438 -14.3384   20.603  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   35    4 o  ?   ?    32.122   14.959   31.341   22.207   32.770   20.239  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   35    5 o  ?   ?    5.1424   16.841   17.724   20.531 -20.7317   29.442  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   37    1 o  ?   ?    44.079   21.230   0.0000   0.0000   44.079   21.230  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   37    2 o  ?   ?  -11.3162   15.199 -27.1614   21.615   4.1820   21.377  ?   ?   ?   ?  0.000000      ? 
1 1 1  -37   37    3 o  ?   ?    17.429   14.681 -12.8194   21.086   45.890   20.453  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    0    2 o   86.899   35.799   38.737   21.323   38.737   21.323   38.737   21.323   86.899   35.799   86.899   35.799 0.000000 0.000000 
1 1 1  -36    0    3 o   62.386   34.281   20.888   21.352   20.888   21.352   20.888   21.352   62.386   34.281   62.386   34.281 0.000000 0.000000 
1 1 1  -36    0    4 f   51.649   31.694   9.8539   21.821   9.8539   21.821   9.8539   21.821   51.649   31.694   51.649   31.694 0.000000 0.000000 
1 1 1  -36    0    5 o   57.136   33.672   15.786   22.713   15.786   22.713   15.786   22.713   57.136   33.672   57.136   33.672 0.000000 0.000000 
1 1 1  -36    0    6 o   28.644   20.795 -44.7072   22.810 -44.7072   22.810 -44.7072   22.810   28.644   20.795   28.644   20.795 0.000000 0.000000 
1 1 1  -36    0    7 o   48.343   31.162   4.2510   24.130   4.2510   24.130   4.2510   24.130   48.343   31.162   48.343   31.162 0.000000 0.000000 
1 1 1  -36    0    8 o   48.157   32.517  -5.8878   31.595  -5.8878   31.595  -5.8878   31.595   48.157   32.517   48.157   32.517 0.000000 0.000000 
1 1 1  -36    0    9 o   61.218   38.270   19.502   33.286   19.502   33.286   19.502   33.286   61.218   38.270   61.218   38.270 0.000000 0.000000 
1 1 1  -36    0   10 o   89.250   47.042   60.098   38.679   60.098   38.679   60.098   38.679   89.250   47.042   89.250   47.042 0.000000 0.000000 
1 1 1  -36    0   11 o   37.791   26.387 -14.2153   25.261 -14.2153   25.261 -14.2153   25.261   37.791   26.387   37.791   26.387 0.000000 0.000000 
1 1 1  -36    0   12 o   42.011   28.671  -1.4299   25.929  -1.4299   25.929  -1.4299   25.929   42.011   28.671   42.011   28.671 0.000000 0.000000 
1 1 1  -36    2    1 o   38.649   18.626   6.9949   14.836 -24.2169   20.645   40.330   21.335  ?   ?    51.172   23.976 0.000000 23.97583 
1 1 1  -36    2    2 o   35.896   17.558   1.2488   14.544  -4.5385   20.690   6.9023   20.449   36.281   18.249   39.028   19.405 -2.746811 26.63795 
1 1 1  -36    2    3 f   31.835   15.986 -11.8720   15.515 -24.1258   22.057   0.1290   21.828  ?   ?    37.108   18.675 0.000000 18.67544 
1 1 1  -36    2    4 o   49.409   22.197   29.983   15.824   32.685   22.619   27.392   22.146   44.530   21.806   43.120   21.209 1.409477 30.41866 
1 1 1  -36    2    5 o   35.420   17.475   4.1514   15.425   20.711   21.312 -14.0658   22.353   40.153   19.938  ?   ?  0.000000 19.93797 
1 1 1  -36    2    6 o   29.501   14.952 -14.9051   15.653 -24.2743   21.828  -4.9870   22.458  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    2    7 o  ?   ?  -14.2871   16.959 -30.7225   23.868   2.4682   24.100  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    2    8 o  ?   ?  -24.6362   20.006 -13.3902   32.286 -31.6458   25.490  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    2    9 o  ?   ?    7.5367   19.851 -20.6412   25.935   47.405   30.849  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    2   10 o   35.954   18.079   45.277   20.207   35.409   25.849   60.780   32.401  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    2   11 o  ?   ?  -17.1378   18.102 -26.3788   26.002  -8.4468   25.216  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    2   12 o  ?   ?    7.9590   18.336   40.664   25.591 -26.5444   26.286  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    4    1 o   38.216   18.450   6.3707   14.719   1.5427   21.123   10.927   20.522   37.875   18.967   40.282   19.925 -2.407005 27.50917 
1 1 1  -36    4    2 o   31.925   16.011 -11.8313   15.308 -39.7033   21.508   16.784   21.793  ?   ?    41.587   20.564 0.000000 20.56355 
1 1 1  -36    4    3 f   38.066   18.481   7.3945   15.292   28.429   21.471 -14.2562   21.784   44.666   21.735   34.242   17.384 10.42450 27.83212 
1 1 1  -36    4    4 o  ?   ?  -37.0208   15.364 -11.8636   21.391 -63.8295   22.082   33.946   17.233  ?   ?  0.000000 17.23338 
1 1 1  -36    4    5 o   39.154   19.564   17.928   21.906   0.0000   0.0000   17.928   21.906  ?   ?    39.154   19.564 0.000000 19.56441 
1 1 1  -36    4    7 o  ?   ?  -23.7591   16.740 -29.0513   23.230 -18.0429   24.143  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    4    8 o  ?   ?   -6.2214   20.278   64.390   35.096 -41.6073   24.845  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    4    9 o  ?   ?  -42.7215   19.582 -57.0341   25.525 -22.2488   30.528  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    4   10 o   32.227   16.292   22.351   17.779   51.058   26.276  -1.8908   24.147  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    4   11 o  ?   ?    29.288   21.108  -5.2504   25.755   99.951   36.839  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    4   12 f  ?   ?  -25.6336   20.277 -38.1098   24.728  -0.0221   35.429  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    6    1 o   43.086   20.112   16.235   14.783   5.3646   20.887   27.145   20.926   38.547   19.237   45.262   21.888 -6.714161 29.14039 
1 1 1  -36    6    2 o   40.776   19.449   12.723   15.262   13.074   21.116   12.340   22.083   40.334   19.997   40.097   19.973 0.2376328 28.26311 
1 1 1  -36    6    3 o   37.503   18.236   6.6215   15.040   1.6203   21.414   11.491   21.130   37.012   18.611   39.346   19.589 -2.333782 27.02013 
1 1 1  -36    6    4 o   40.107   19.307   14.429   15.831  -6.4935   21.771   37.907   23.063   34.821   17.647   45.331   22.160 -10.51029 28.32813 
1 1 1  -36    6    5 o   37.372   18.288   10.317   15.829  -7.2808   22.483   27.612   22.288  ?   ?    41.231   20.459 0.000000 20.45904 
1 1 1  -36    6    6 o   31.056   15.695  -8.4023   16.380   9.4267   22.916 -27.0267   23.421   35.748   18.116  ?   ?  0.000000 18.11556 
1 1 1  -36    6    7 o   33.742   16.920   6.7084   17.071  -4.0400   23.705   18.289   24.605  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    6    8 o  ?   ?  -59.5663   19.980 -51.3171   34.977 -63.5618   24.343  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    6    9 o  ?   ?   -8.8548   19.288   6.1358   25.250 -29.8585   29.888  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    6   10 o   30.658   15.567   15.121   17.514 -25.3844   26.011   48.715   23.688  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    6   11 o  ?   ?    12.256   17.464  -6.3539   24.131   32.725   25.307  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    6   12 o  ?   ?  -11.1509   20.196   13.966   24.604 -63.0244   35.359  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    8    1 o   35.883   17.643   1.4233   15.284   4.3075   21.552  -1.4945   21.677   38.046   19.069   36.791   18.528 1.255234 26.58792 
1 1 1  -36    8    2 o   44.114   20.597   19.857   15.517   12.879   21.730   27.117   22.165   39.885   19.859   43.844   21.494 -3.959438 29.26368 
1 1 1  -36    8    3 o   37.146   18.088   6.4786   14.941   10.703   20.776   1.9542   21.502   38.800   19.334   36.798   18.522 2.001766 26.77433 
1 1 1  -36    8    4 o   52.775   23.082   36.659   16.020   26.541   22.480   47.100   22.835   41.797   20.706   48.137   23.176 -6.340191 31.07864 
1 1 1  -36    8    5 o   31.667   15.944  -7.6628   16.005 -42.9287   22.300   29.808   22.986  ?   ?    41.093   20.455 0.000000 20.45455 
1 1 1  -36    8    6 o   44.370   20.948   31.818   16.845   41.668   23.897   22.090   23.749   41.782   20.807   37.634   19.006 4.148251 28.18098 
1 1 1  -36    8    7 o  ?   ?  -61.7165   19.614 -55.6585   33.740 -64.8090   24.106  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    8    8 o  ?   ?   -0.3954   19.890 -21.3122   34.571   9.9543   24.318  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    8    9 f   32.049   16.285   15.800   19.413   15.252   24.172   16.795   32.580  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    8   10 o  ?   ?  -26.5696   17.707 -37.2670   25.421 -16.4883   24.679  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    8   11 o  ?   ?  -26.9266   17.021 -20.1423   22.931 -35.2501   25.399  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36    8   12 o  ?   ?  -40.2255   17.536 -25.3660   22.922 -61.1974   27.231  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   10    1 o   34.849   17.230  -0.6029   15.280  -9.6194   21.591   8.4437   21.627   34.829   17.643   38.601   19.311 -3.772060 26.15690 
1 1 1  -36   10    2 o   38.394   18.638   9.1736   15.537   1.2013   21.571   17.767   22.396   36.731   18.496   40.586   20.200 -3.854435 27.38876 
1 1 1  -36   10    3 o   32.899   16.419  -5.0176   15.227 -17.1930   20.448   10.137   22.813  ?   ?    38.216   19.215 0.000000 19.21492 
1 1 1  -36   10    4 o   37.865   18.437   10.836   15.514   6.4846   21.350   15.705   22.582   36.635   18.442   38.606   19.373 -1.970558 26.74690 
1 1 1  -36   10    5 o   36.001   17.824   8.3949   16.561   45.404   23.384 -28.8541   23.459   44.504   21.870  ?   ?  0.000000 21.86977 
1 1 1  -36   10    6 o   39.208   19.174   22.077   17.311   19.779   23.885   24.620   25.126   36.741   18.606   37.352   18.933 -0.6111603 26.54514 
1 1 1  -36   10    7 o   36.181   18.380   27.134   24.622   0.0000   0.0000   27.134   24.622  ?   ?    36.181   18.380 0.000000 18.37982 
1 1 1  -36   10    8 o  ?   ?  -32.0902   17.060 -31.7347   23.855 -32.4624   24.407  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   10    9 o   32.767   16.604   21.378   19.238   11.365   23.702   40.712   32.934  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   10   10 o  ?   ?   -9.0934   17.261 -15.6241   23.641  -1.6367   25.261  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   10   11 o  ?   ?    10.405   18.646  -3.2731   21.854   46.995   35.745  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   10   12 o  ?   ?    7.2729   16.845  -8.3096   22.654   26.542   25.191  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   12    1 o   46.847   21.846   29.161   17.370   46.180   27.806   18.269   22.245   45.148   22.477   40.421   20.120 4.727730 30.16662 
1 1 1  -36   12    2 o   42.434   19.971   18.478   15.089   7.6324   20.721   30.722   22.016   37.601   18.823   43.707   21.426 -6.106159 28.52002 
1 1 1  -36   12    3 o   28.761   14.609 -21.6327   15.529 -44.4290   21.162   4.9632   22.858  ?   ?    36.674   18.535 0.000000 18.53475 
1 1 1  -36   12    4 f   32.967   16.490  -2.5541   15.756   8.5660   21.938 -14.4002   22.643   36.596   18.456  ?   ?  0.000000 18.45602 
1 1 1  -36   12    5 o   32.681   16.430  -1.9766   16.649   19.001   22.952 -25.2700   24.186   37.564   18.936  ?   ?  0.000000 18.93624 
1 1 1  -36   12    6 o   32.605   16.417   1.2328   16.978   1.9581   23.568   0.4503   24.480  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   12    7 o  ?   ?  -14.0989   19.463 -44.2098   32.705   2.4112   24.218  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   12    8 o   30.435   15.417   2.4320   16.468   7.5027   22.331  -3.6140   24.384  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   12    9 o   46.437   22.216   75.698   20.228   36.581   24.963  150.488   34.517  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   12   10 o  ?   ?   -0.1985   17.420   20.263   22.533 -30.5863   27.461  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   12   11 o  ?   ?   -9.8356   17.300  -2.9032   19.691 -33.2927   36.221  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   12   12 f  ?   ?  -26.4608   15.337 -24.4458   21.036 -28.7470   22.407  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   14    1 o  ?   ?  -25.1199   17.286 -36.5170   21.310  -3.1932   29.558  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   14    2 o   37.725   18.345   10.087   15.230  -9.9613   21.385   30.721   21.695   33.652   17.099   43.003   21.119 -9.350761 27.17283 
1 1 1  -36   14    3 o   36.896   18.037   9.1951   15.281   28.077   21.945  -8.5775   21.291   41.407   20.503   33.478   17.015 7.928673 26.64375 
1 1 1  -36   14    4 o   30.380   15.374 -12.1876   16.126  -5.0291   22.692 -19.4926   22.922  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   14    5 o   34.193   17.097   5.4463   16.863   12.508   23.742  -1.7433   23.956   35.699   18.127  ?   ?  0.000000 18.12668 
1 1 1  -36   14    6 f  ?   ?   -4.4896   19.079 -39.8293   31.089   16.863   24.165  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   14    7 f  ?   ?  -19.5658   32.939 -19.5658   32.939   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   14    8 o   29.667   15.067   0.5823   16.474 -19.8813   22.991   22.176   23.618  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   14    9 o   32.681   16.545   25.341   18.805   16.014   23.705   41.176   30.886  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   14   10 o  ?   ?    14.688   17.959   22.691   20.154 -16.1658   39.572  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   14   11 o  ?   ?  -20.5227   15.518  -9.1569   20.293 -36.5318   24.084  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   16    1 o   30.994   15.589  -9.2731   15.090  -2.2701   21.131 -16.5611   21.557   34.599   17.519  ?   ?  0.000000 17.51890 
1 1 1  -36   16    2 o   36.967   18.117   9.8846   15.708   2.8462   22.904   16.135   21.583   35.552   18.026   38.227   19.148 -2.674587 26.29815 
1 1 1  -36   16    3 o   30.692   15.503 -10.2988   15.831 -10.2452   22.511 -10.3513   22.268  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   16    4 f   37.262   18.340   14.450   16.661   15.808   23.006   12.952   24.160   36.652   18.530   36.069   18.312 0.5831032 26.05122 
1 1 1  -36   16    5 o   31.779   16.038  -2.0567   16.743   28.058   23.358 -33.8851   24.013   37.808   19.064  ?   ?  0.000000 19.06441 
1 1 1  -36   16    6 o   36.357   18.385   26.996   22.743   17.546   34.700   34.112   30.113  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   16    7 o   32.211   16.220   8.7278   16.589 -14.1228   22.916   33.884   24.045  ?   ?    35.466   18.031 0.000000 18.03074 
1 1 1  -36   16    8 o  ?   ?  -29.2397   16.493   6.7193   23.215 -65.8852   23.435  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   16    9 f  ?   ?  -21.4915   18.552 -28.7744   23.033  -8.0390   31.304  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   16   10 o  ?   ?   -7.3482   20.138  -7.3482   20.138   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   16   11 o  ?   ?    15.329   15.053   5.6700   20.299   27.130   22.437  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   18    1 o   43.362   20.443   25.792   15.941   6.1270   22.828   44.505   22.269   35.612   18.051   45.087   21.983 -9.474274 28.44397 
1 1 1  -36   18    2 o  ?   ?  -28.6205   18.203 -33.5213   22.627 -19.6293   30.648  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   18    3 o   29.687   15.067 -13.8870   16.264 -40.2058   22.508   14.873   23.528  ?   ?    36.408   18.440 0.000000 18.44014 
1 1 1  -36   18    4 o   40.539   19.637   25.957   17.011   30.314   24.417   21.847   23.713   38.189   19.285   36.822   18.635 1.367527 26.81760 
1 1 1  -36   18    5 f  ?   ?    15.998   23.695   0.0000   0.0000   15.998   23.695  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   18    6 o  ?   ?  -14.9969   18.947   33.893   33.715 -37.5620   22.905  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   18    7 f  ?   ?  -37.0991   16.181 -52.1954   22.845 -21.8987   22.923  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   18    8 o  ?   ?    0.8886   16.320  -4.2649   23.311   5.8430   22.857  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   18    9 o  ?   ?    10.267   17.609   4.9565   21.376   21.478   31.059  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   18   10 o  ?   ?  -23.6285   18.024 -20.1534   20.949 -33.5317   35.364  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   18   11 o  ?   ?    8.5398   15.552  -1.9202   21.728   19.528   22.269  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   20    1 o   34.936   17.327   7.7147   15.902  -9.9701   22.518   25.311   22.461  ?   ?    38.495   19.318 0.000000 19.31773 
1 1 1  -36   20    2 o  ?   ?  -29.8874   15.497 -67.8604   21.354   12.365   22.525  ?   ?    35.653   18.056 0.000000 18.05625 
1 1 1  -36   20    3 o   31.466   15.881  -3.3768   16.426 -15.2187   22.749   9.5234   23.744  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   20    4 o  ?   ?  -21.2576   16.799 -45.5485   24.514   0.2489   23.066  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   20    5 o  ?   ?  -40.0790   18.441 -61.0507   23.636  -7.4488   29.483  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   20    6 o  ?   ?  -10.5092   18.909 -15.8195   34.275  -8.1857   22.672  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   20    7 o   31.167   15.740   9.5862   16.284  -6.1990   23.836   23.400   22.298  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   20    8 o   32.057   16.237   22.521   18.257   4.7228   22.856   53.902   30.349  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   20    9 o  ?   ?    21.597   21.739   21.597   21.739   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   20   10 o  ?   ?    11.929   19.765   0.0000   0.0000   11.929   19.765  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   20   11 o  ?   ?    8.3120   15.491   26.772   21.928 -10.0796   21.887  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   22    1 o  ?   ?  -28.6050   15.778 -39.7676   22.759 -18.2750   21.894  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   22    2 o   36.824   18.141   17.051   16.421   9.8743   22.805   24.779   23.664  ?   ?    36.703   18.579 0.000000 18.57925 
1 1 1  -36   22    3 o   36.451   17.979   17.309   16.292  -4.1791   22.753   39.918   23.338  ?   ?    39.192   19.670 0.000000 19.67048 
1 1 1  -36   22    4 o  ?   ?  -31.1278   19.216 -17.8585   33.546 -37.6083   23.443  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   22    5 o  ?   ?  -34.9513   18.922 -15.1463   34.490 -43.4788   22.632  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   22    6 o   34.810   17.310   21.607   16.290   26.759   23.883   17.126   22.277  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   22    7 o   30.842   15.607   11.552   16.611   12.233   24.576   10.980   22.540  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   22    8 o  ?   ?   -8.8451   17.401 -24.8545   22.262   16.298   27.898  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   22    9 o  ?   ?    18.102   21.877   18.102   21.877   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   22   10 f  ?   ?  -11.6039   13.808  -4.0522   19.932 -18.5730   19.148  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   24    1 o  ?   ?  -30.8176   16.083 -31.2449   22.661 -30.3839   22.831  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   24    2 o   29.223   14.857  -9.3507   16.320   17.382   23.452 -34.4521   22.725  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   24    3 o  ?   ?  -23.9875   19.638   8.4976   36.571 -37.1509   23.280  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   24    4 o  ?   ?  -21.5111   17.428 -14.6223   24.203 -28.9300   25.117  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   24    5 o   32.892   16.668   16.851   19.392  -3.4493   34.601   26.148   23.415  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   24    6 o   30.724   15.536   9.2116   16.239   23.587   24.268  -2.4443   21.853  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   24    7 f   30.627   15.566   15.441   17.818   2.9904   22.485   36.459   29.213  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   24    8 o  ?   ?   -6.0377   17.314  -9.6100   21.734   0.1663   28.643  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   24    9 o  ?   ?    0.8790   16.721   15.414   21.452 -21.6244   26.692  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   24   10 o  ?   ?   -9.9472   14.473   31.930   20.565 -51.0447   20.373  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   26    1 o  ?   ?  -13.7124   17.838   3.5550   21.897 -47.7854   30.759  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   26    2 o   37.134   18.305   25.531   16.806   45.203   23.061   3.2495   24.543   38.211   19.226  ?   ?  0.000000 19.22611 
1 1 1  -36   26    3 f   31.276   15.834   5.4743   17.210   8.2499   24.594   2.8113   24.090  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   26    4 o  ?   ?  -38.2334   16.700 -33.6184   25.255 -41.8195   22.263  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   26    5 o  ?   ?   -7.4559   19.615   9.1366   33.248 -16.3143   24.293  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   26    6 o  ?   ?   -4.9944   18.934 -30.0536   24.446   32.580   29.934  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   26    7 o  ?   ?   -2.2446   17.558   10.748   22.152 -24.2049   28.799  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   26    8 o  ?   ?   -4.7464   21.952  -4.7464   21.952   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   26    9 o  ?   ?    14.005   16.387   29.277   19.769 -19.5366   29.298  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   28    1 o   36.371   18.062   28.171   17.503   33.965   21.671   17.302   29.682   35.507   17.954  ?   ?  0.000000 17.95360 
1 1 1  -36   28    2 o  ?   ?  -23.2806   18.938 -51.9497   24.284   21.220   30.255  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   28    3 o  ?   ?  -35.6190   18.528 -19.2643   23.492 -62.5366   30.138  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   28    4 o  ?   ?    10.248   21.327   5.8146   32.666   13.541   28.155  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   28    5 o  ?   ?  -33.0284   25.011 -33.0284   25.011   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   28    6 o  ?   ?   -2.2239   18.259  -8.5939   22.825   9.0976   30.429  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   28    7 o  ?   ?   -8.6133   17.111   19.196   22.057 -50.6342   27.114  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   28    8 o  ?   ?   -9.1293   16.488  -4.7241   19.613 -19.7463   30.448  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   28    9 o  ?   ?    5.4656   20.153   5.4656   20.153   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   30    1 o  ?   ?  -12.4739   15.402   7.4718   23.310 -27.9301   20.520  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   30    2 o   31.583   16.006   15.193   17.910   8.7732   23.395   24.283   27.839  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   30    3 o  ?   ?   -3.6798   18.449   13.994   23.892 -29.7805   29.035  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   30    4 o  ?   ?    28.047   21.418   22.951   30.701   32.878   29.894  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   30    5 o  ?   ?    12.570   18.386   29.520   24.465  -9.4244   27.868  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   30    6 o   32.093   16.227   32.530   17.700   37.394   22.527   24.683   28.614  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   30    7 o  ?   ?  -23.6574   21.324 -23.6574   21.324   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   30    8 o  ?   ?  -24.2812   14.864 -36.2448   19.856  -9.0314   22.418  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   32    1 o  ?   ?   -1.6372   15.580 -30.9356   23.076   22.904   21.120  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   32    2 o  ?   ?   -0.3802   15.185 -17.0370   23.200   12.105   20.085  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   32    3 o  ?   ?   -0.9996   17.563   4.5244   30.990  -3.6133   21.316  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   32    4 o  ?   ?    3.3232   15.586   9.1733   22.642  -1.9452   21.487  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   32    5 o  ?   ?    1.8072   14.554   0.8393   20.449   2.8007   20.719  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   32    6 o  ?   ?  -28.0849   14.997 -17.6743   21.530 -37.8970   20.902  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   32    7 o  ?   ?    14.409   21.752   16.766   28.878   11.317   33.071  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   34    1 o  ?   ?   -0.0354   15.723   13.023   22.326 -12.8838   22.146  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   34    2 o   33.934   16.886   31.335   15.617   48.539   22.779   16.078   21.451  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   34    3 o   30.229   15.359   21.795   17.250   57.561   29.772   3.7194   21.165  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   34    4 o  ?   ?   -5.1893   14.452   6.2048   21.596 -14.4305   19.449  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   34    5 o   28.579   14.452   16.046   14.064   4.3150   20.146   27.198   19.642  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   34    6 o  ?   ?    10.090   16.768   24.310   20.837 -16.0390   28.245  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   34    7 o  ?   ?  -33.1861   13.942 -74.0000   28.417 -20.2457   16.001  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   36    1 o  ?   ?    2.5898   15.193 -15.1892   21.511   20.285   21.461  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   36    2 o  ?   ?   -5.1119   18.055 -19.6244   31.039   2.3099   22.197  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   36    3 f  ?   ?    1.1275   14.486  -8.1171   21.317   9.0591   19.745  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   36    4 o   29.195   14.737   21.084   14.183   28.452   20.359   14.138   19.769  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   36    5 o  ?   ?    7.1293   14.234   9.7858   20.314   4.5669   19.951  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   36    6 o  ?   ?    19.820   14.364   18.371   26.351   20.433   17.134  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   38    1 o  ?   ?    7.8397   14.578   11.390   20.706   4.3508   20.527  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   38    2 o  ?   ?    14.262   17.056 -17.6244   29.191   30.791   21.017  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   38    3 o  ?   ?    9.9039   14.411 -13.1523   20.578   32.095   20.188  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   38    4 f  ?   ?    6.1638   14.121   7.4141   19.962   4.9116   19.978  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   40    1 o  ?   ?   -1.2935   14.814 -71.4012   22.463   52.667   19.707  ?   ?   ?   ?  0.000000      ? 
1 1 1  -36   40    2 o  ?   ?    19.334   14.485   16.880   21.636   21.327   19.500  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    1    1 o   45.227   21.667   7.3161   19.392   16.693   27.746  -1.6376   27.113   49.201   24.105   44.445   22.138 4.755424 32.72849 
1 1 1  -35    1    2 o   57.415   25.760   32.649   21.238   11.507   30.013   53.854   30.058   47.556   23.622   60.338   28.330 -12.78202 36.88609 
1 1 1  -35    1    3 o   48.473   21.794   15.357   15.291   4.5252   21.692   26.054   21.557   43.890   21.463   52.647   24.478 -8.757099 32.55532 
1 1 1  -35    1    4 o   52.612   23.054   22.716   16.048   32.731   22.565   12.466   22.828   54.089   25.114   45.783   22.308 8.305237 33.59108 
1 1 1  -35    1    5 f   47.270   21.701   17.048   16.180   32.526   23.146   2.2577   22.626   51.854   24.504   41.589   20.633 10.26577 32.03373 
1 1 1  -35    1    6 o   39.723   19.211   4.9285   16.123   10.728   22.878  -0.7951   22.727   42.593   21.063   39.637   19.824 2.956062 28.92446 
1 1 1  -35    1    7 o   51.289   22.895   29.260   16.551   43.366   23.231   14.719   23.586   51.497   24.399   41.928   20.846 9.568310 32.09117 
1 1 1  -35    1    8 o   42.242   20.286   18.289   17.229   13.332   24.498   23.141   24.234   39.624   19.922   41.825   20.848 -2.201412 28.83624 
1 1 1  -35    1    9 o   32.210   16.285  -9.1369   17.784 -23.4686   24.962   5.6355   25.343  ?   ?    36.301   18.461 0.000000 18.46083 
1 1 1  -35    1   10 o  ?   ?   -3.7259   24.931   63.366   33.678 -85.0732   37.084  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    1   11 o  ?   ?  -24.2220   17.418 -19.8755   24.419 -28.7237   24.851  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    1   12 o  ?   ?   -7.2694   18.022  -0.5600   25.666 -13.7956   25.313  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    1   13 o   32.531   16.407   31.673   17.345   25.559   24.551   37.766   24.508  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    3    1 o   36.130   18.130 -21.7833   19.778 -58.7805   28.977   10.488   27.063  ?   ?    47.338   23.314 0.000000 23.31402 
1 1 1  -35    3    2 o   38.267   18.859  -8.4065   17.806 -19.4833   22.645   9.5366   28.821   38.314   19.249   46.888   23.266 -8.573372 30.19652 
1 1 1  -35    3    3 o   44.325   20.612   9.1382   15.292   19.256   21.593  -1.0402   21.658   49.328   23.415   42.050   20.738 7.277851 31.27843 
1 1 1  -35    3    4 o   46.996   21.564   14.798   15.945   45.966   22.627 -15.9444   22.472   61.247   27.085   37.998   19.101 23.24913 33.14298 
1 1 1  -35    3    5 o   33.876   16.912 -14.1977   16.199  -6.5009   21.853 -23.5858   24.135   39.053   19.518   36.585   18.545 2.467682 26.92358 
1 1 1  -35    3    6 o   35.432   17.564  -6.6892   16.264 -22.1800   22.488   10.300   23.550   35.168   17.835   42.403   21.039 -7.234627 27.58109 
1 1 1  -35    3    7 o   34.726   17.336  -7.1265   17.027 -21.9301   24.165   7.4695   23.995  ?   ?    40.126   20.112 0.000000 20.11242 
1 1 1  -35    3    8 o   35.148   17.565  -2.1003   17.682 -13.3552   24.672   9.7849   25.354  ?   ?    38.835   19.616 0.000000 19.61633 
1 1 1  -35    3    9 o   42.579   20.960   32.484   21.776   22.263   44.971   35.614   24.889  ?   ?    41.850   20.903 0.000000 20.90305 
1 1 1  -35    3   10 o   40.637   20.369   42.907   24.604   49.902   36.786   37.244   33.096  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    3   11 o  ?   ?   -7.9837   17.434   14.668   24.735 -30.3448   24.576  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    3   12 o  ?   ?  -10.0799   17.606  -0.5614   24.244 -20.7015   25.610  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    3   13 o  ?   ?    2.2726   18.023   32.569   25.551 -27.7313   25.427  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    5    1 o   40.572   20.071  -6.8248   20.850  -9.0146   29.875  -4.7454   29.112   43.361   21.826   43.968   22.054 -0.6073952 31.02827 
1 1 1  -35    5    2 f   46.938   21.905   12.707   17.519   2.9837   21.553   31.639   30.075   43.610   21.341   52.240   25.487 -8.629589 33.24178 
1 1 1  -35    5    3 o   61.012   24.304   30.319   15.417   55.169   21.927   6.0204   21.682   70.763   28.706   44.081   21.536 26.68219 35.88596 
1 1 1  -35    5    4 o   37.257   18.218  -4.2821   15.619  -0.4296   21.147  -8.9057   23.167   41.156   20.333   39.702   19.880 1.454029 28.43666 
1 1 1  -35    5    5 o   39.299   19.099   1.6732   16.441   3.2727   22.398  -0.1954   24.209   41.540   20.595   41.064   20.526 0.4759178 29.07684 
1 1 1  -35    5    6 o   37.371   18.336  -0.5916   16.239 -16.9523   22.472   17.291   23.494   35.970   18.197   44.112   21.725 -8.141716 28.33921 
1 1 1  -35    5    7 o   31.298   15.845 -21.5365   17.247 -26.5517   24.308 -16.4523   24.475  ?   ?    35.677   18.143 0.000000 18.14337 
1 1 1  -35    5    8 o  ?   ?  -27.9829   17.981 -12.3741   25.441 -43.5616   25.416  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    5    9 o   36.846   18.652   10.656   23.848  -3.0927   35.414   22.063   32.259  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    5   10 o  ?   ?  -12.6733   20.258 -50.1499   26.186   43.185   31.969  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    5   11 o  ?   ?   -0.4839   20.680   38.401   26.149 -65.4146   33.790  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    5   12 o  ?   ?    13.356   20.937 -38.5317   36.145   39.556   25.685  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    5   13 o  ?   ?    1.5041   19.466  -9.4647   23.732   24.059   34.031  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    7    1 o   31.197   15.784 -31.8527   16.931 -26.0327   21.326 -41.7756   27.847   35.985   18.154  ?   ?  0.000000 18.15424 
1 1 1  -35    7    2 o   40.642   19.703   0.0715   17.208  -5.6861   21.194   11.210   29.478   40.581   20.104   46.687   23.227 -6.106388 30.71892 
1 1 1  -35    7    3 o   31.432   15.797 -22.6904   15.331 -29.7076   21.538 -15.4834   21.827   34.931   17.687   38.005   19.068 -3.073967 26.00786 
1 1 1  -35    7    4 o   44.175   20.636   10.893   15.609   32.499   20.958 -16.0236   23.392   54.197   24.814   38.053   19.174 16.14410 31.35939 
1 1 1  -35    7    5 o   44.196   20.772   12.816   16.230   15.011   22.250   10.321   23.728   44.727   21.844   43.326   21.430 1.400764 30.60028 
1 1 1  -35    7    6 o   45.318   21.229   17.698   16.715   19.604   22.836   15.498   24.533   44.556   21.838   43.206   21.444 1.349869 30.60599 
1 1 1  -35    7    7 o   35.330   17.584  -3.8520   16.969   33.313   24.122 -40.2583   23.874   46.292   22.637  ?   ?  0.000000 22.63679 
1 1 1  -35    7    8 o   34.890   17.485  -2.3064   18.102   12.323   26.183 -15.7018   25.054   38.815   19.637  ?   ?  0.000000 19.63698 
1 1 1  -35    7    9 o   38.220   19.101   17.339   20.918 -17.7415   36.205   34.918   25.629  ?   ?    40.821   20.505 0.000000 20.50469 
1 1 1  -35    7   10 o   35.558   17.762   13.510   17.993   1.5273   25.962   24.585   24.960  ?   ?    36.596   18.582 0.000000 18.58220 
1 1 1  -35    7   11 o   32.356   16.435   8.7950   19.645   12.981   25.144   2.2371   31.472  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    7   12 o   31.911   16.118   16.625   17.114   6.4422   22.672   30.112   26.091  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    7   13 o  ?   ?    3.5836   19.154   12.375   23.535 -13.6634   32.964  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    9    1 o   37.803   18.671  -8.5216   17.780   0.9362   21.893 -26.8488   30.475   42.666   21.005   40.053   20.357 2.613377 29.25061 
1 1 1  -35    9    2 o   38.824   19.060  -4.5992   17.620 -30.0756   21.303   50.585   31.353   34.794   17.615   56.085   27.040 -21.29105 32.27173 
1 1 1  -35    9    3 o   33.372   16.652 -16.0809   15.636 -37.7293   21.019   10.744   23.397  ?   ?    45.076   22.095 0.000000 22.09522 
1 1 1  -35    9    4 o   47.912   21.757   17.590   15.691   0.0764   21.099   39.266   23.473   40.693   20.142   54.867   25.522 -14.17413 32.51212 
1 1 1  -35    9    5 f   34.846   17.316  -9.3137   16.191 -13.6378   22.146  -4.3489   23.730   36.936   18.617   39.424   19.794 -2.488846 27.17323 
1 1 1  -35    9    6 o   33.403   16.765 -13.5719   16.955 -19.0567   23.823  -7.9421   24.136   35.691   18.126   37.714   19.059 -2.022709 26.30226 
1 1 1  -35    9    7 o   33.113   16.659 -11.9100   17.285 -49.0791   24.082   27.588   24.825  ?   ?    43.872   21.739 0.000000 21.73880 
1 1 1  -35    9    8 o   47.247   22.409   35.984   19.698   48.314   24.213   11.859   33.871   47.601   23.144  ?   ?  0.000000 23.14443 
1 1 1  -35    9    9 o  ?   ?  -21.9154   20.005   7.0195   34.715 -36.3016   24.478  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    9   10 o  ?   ?  -31.5122   17.484 -41.2766   24.438 -21.2737   25.024  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    9   11 o  ?   ?    4.8357   19.369   7.1201   24.509   1.0361   31.609  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    9   12 o  ?   ?   -3.5162   18.826  -4.4745   22.317  -1.1512   35.058  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35    9   13 o  ?   ?   -6.6226   18.644 -15.4195   32.248  -2.2062   22.849  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   11    1 o   40.057   19.590  -1.3271   18.083   3.6725   22.023 -11.6732   31.681   43.054   21.171   42.158   21.357 0.8956413 30.07226 
1 1 1  -35   11    2 o   44.719   20.804   11.038   15.607   40.680   20.254 -32.2840   24.485   61.128   26.349   36.041   18.311 25.08646 32.08643 
1 1 1  -35   11    3 o   43.842   20.609   10.357   15.988   17.907   21.599   1.2051   23.779   47.023   22.615   41.982   20.882 5.040581 30.78163 
1 1 1  -35   11    4 o   39.748   19.125   3.7297   15.489   4.7244   20.492   2.4041   23.656   41.500   20.409   41.482   20.665 0.1775742E-01 29.04434 
1 1 1  -35   11    5 o   41.657   19.993   9.3219   16.682   10.153   22.945   8.3895   24.296   42.330   20.961   41.955   20.907 0.3745651 29.60532 
1 1 1  -35   11    6 o   43.105   20.524   15.260   16.841  -5.5253   23.871   35.861   23.764   37.706   19.044   48.427   23.396 -10.72145 30.16693 
1 1 1  -35   11    7 o   32.189   16.252 -14.8034   17.296 -24.1182   23.901  -4.5639   25.059  ?   ?    36.820   18.688 0.000000 18.68848 
1 1 1  -35   11    8 o   32.819   16.668 -12.7693   20.158 -21.2341   34.297  -8.3020   24.915  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   11    9 o   50.773   23.050   44.541   17.599   21.082   24.461   69.717   25.340   37.572   19.005   48.681   23.671 -11.10884 30.35664 
1 1 1  -35   11   10 o   41.715   20.169   34.354   17.749   41.915   24.902   26.548   25.304   38.706   19.537  ?   ?  0.000000 19.53742 
1 1 1  -35   11   11 o   35.296   17.709   25.582   18.833   18.777   22.323   42.385   35.077  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   11   12 o  ?   ?  -16.9407   18.429 -16.6628   21.878 -17.6195   34.193  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   13    1 f   44.658   21.263   11.265   18.073   1.8021   22.110   30.322   31.376   41.959   20.741   49.198   24.389 -7.239033 32.01554 
1 1 1  -35   13    2 o   60.411   24.619   33.161   16.218   39.554   21.554   24.819   24.621   57.482   25.857   48.847   23.652 8.634804 35.04295 
1 1 1  -35   13    3 o   44.673   20.797   12.830   15.639  -0.9874   21.049   29.857   23.366   40.155   19.918   50.391   24.043 -10.23524 31.22191 
1 1 1  -35   13    4 o   40.670   19.558   6.3646   16.140  -5.1465   21.742   20.494   24.088   38.653   19.340   45.791   22.440 -7.137669 29.62447 
1 1 1  -35   13    5 o   41.036   19.775   9.0915   16.715   0.3677   23.206   18.499   24.098   39.403   19.754   43.916   21.698 -4.513092 29.34371 
1 1 1  -35   13    6 o   39.518   19.345   8.0308   17.763   18.600   25.455  -2.0002   24.799   42.232   21.100   38.066   19.244 4.165707 28.55812 
1 1 1  -35   13    7 o   36.907   18.244   4.4880   17.110  -2.8876   23.685   12.537   24.743   36.389   18.438   39.314   19.798 -2.924660 27.05423 
1 1 1  -35   13    8 o   33.789   17.097  -5.1431   19.910   3.6190   33.998  -9.7164   24.562  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   13    9 o   32.975   16.590   0.6072   17.158 -29.5804   23.603   34.438   24.986  ?   ?    39.317   19.812 0.000000 19.81199 
1 1 1  -35   13   10 o  ?   ?  -18.9733   16.975 -19.4775   23.051 -18.3759   25.092  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   13   11 o   36.561   18.160   30.141   17.733   22.477   20.669   51.512   34.515   33.519   17.009  ?   ?  0.000000 17.00908 
1 1 1  -35   13   12 o  ?   ?   -3.1271   17.695   0.0958   20.994 -11.0342   32.883  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   15    1 o   46.453   21.777   16.337   17.646   12.006   21.193   26.127   31.865   44.342   21.581   47.214   23.592 -2.872570 31.97405 
1 1 1  -35   15    2 f   37.280   18.261  -2.8329   15.899 -25.2901   20.883   28.132   24.522   34.428   17.431   49.050   23.714 -14.62143 29.43085 
1 1 1  -35   15    3 o   35.348   17.501  -7.5316   15.974 -19.4301   21.743   6.4217   23.545   35.695   18.043   42.026   20.883 -6.330635 27.59825 
1 1 1  -35   15    4 o   43.582   20.626   13.716   16.513   12.395   22.471   15.266   24.349   42.755   21.093   43.483   21.543 -0.7281151 30.14994 
1 1 1  -35   15    5 o   41.447   19.940   11.454   16.826   0.5821   23.030   23.902   24.643   38.825   19.494   44.470   21.966 -5.645088 29.36889 
1 1 1  -35   15    6 o   35.697   17.769  -1.9164   17.352 -28.0495   23.788   27.805   25.368  ?   ?    43.606   21.670 0.000000 21.66971 
1 1 1  -35   15    7 o   30.520   15.479 -18.8442   16.975 -26.4056   23.710 -10.8927   24.313  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   15    8 o   34.867   17.579   2.5640   19.822   4.6210   32.848   1.3860   24.859  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   15    9 o   32.576   16.356   1.4695   16.209   4.8952   21.222  -3.3270   25.111   33.854   17.185  ?   ?  0.000000 17.18486 
1 1 1  -35   15   10 o   29.365   14.929  -7.1152   16.493 -19.2329   22.090   8.1493   24.793  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   15   11 o  ?   ?  -29.6470   19.760 -29.6470   19.760   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   15   12 o  ?   ?    10.978   19.964   10.978   19.964   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   17    1 o   46.157   21.745   17.633   17.972   34.546   21.612 -20.2732   32.355   52.586   24.470  ?   ?  0.000000 24.47001 
1 1 1  -35   17    2 o   34.376   17.098 -10.1006   15.939 -37.3266   21.486   23.219   23.769  ?   ?    46.567   22.706 0.000000 22.70593 
1 1 1  -35   17    3 o   35.737   17.644  -4.6957   15.829   15.132   21.924 -26.2845   22.877   43.636   21.389   34.568   17.576 9.068047 27.68416 
1 1 1  -35   17    4 o   44.905   21.057   17.796   16.516   19.982   23.335   15.600   23.380   44.006   21.668   42.772   21.176 1.233681 30.29774 
1 1 1  -35   17    5 o   38.585   19.146   4.7288   19.514  -2.3385   32.771   8.6113   24.289  ?   ?    39.977   20.065 0.000000 20.06501 
1 1 1  -35   17    6 f   35.748   17.755   0.5174   16.937   20.684   22.769 -24.4657   25.343   41.549   20.628  ?   ?  0.000000 20.62756 
1 1 1  -35   17    7 o   42.961   20.924   28.085   20.023   45.976   33.967   18.557   24.787  ?   ?    39.042   19.681 0.000000 19.68101 
1 1 1  -35   17    8 o   33.074   16.610  -0.4676   16.763   14.631   22.700 -18.5762   24.860   36.721   18.550  ?   ?  0.000000 18.55006 
1 1 1  -35   17    9 o  ?   ?  -14.9406   16.118 -33.2955   22.222   5.4319   23.412  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   17   10 o   31.712   15.965   6.2647   16.027   2.0580   21.616   11.401   23.885  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   17   11 o  ?   ?   -6.9255   19.858  -6.9255   19.858   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   17   12 o  ?   ?    7.1505   15.160   28.095   19.270 -26.8620   24.556  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   19    1 o   63.048   26.065   45.785   18.513   40.682   22.178   57.512   33.620   53.595   24.889   50.578   25.103 3.016171 35.34972 
1 1 1  -35   19    2 o   35.101   17.410  -6.4265   16.078 -16.8174   21.989   5.5101   23.568   35.577   17.998   40.712   20.335 -5.135330 27.15645 
1 1 1  -35   19    3 o   45.960   21.767   21.628   18.458   19.434   30.229   22.933   23.307   42.988   21.678   44.805   21.980 -1.816597 30.87182 
1 1 1  -35   19    4 f   32.690   16.412 -12.7315   16.313  -5.0320   23.117 -20.3681   23.023   37.225   18.794  ?   ?  0.000000 18.79428 
1 1 1  -35   19    5 o   41.785   20.316   16.928   18.654   16.172   23.270   18.288   31.201   40.839   20.368   40.622   20.641 0.2166710 28.99903 
1 1 1  -35   19    6 o   37.507   18.477   8.0301   17.032   20.802   23.344  -6.5068   24.905   40.513   20.236  ?   ?  0.000000 20.23619 
1 1 1  -35   19    7 o   38.565   19.166   16.914   19.857  -8.1805   33.706   30.253   24.573  ?   ?    40.535   20.322 0.000000 20.32249 
1 1 1  -35   19    8 o   37.022   18.227   15.052   16.493   23.067   22.393   5.5495   24.383   37.668   18.952  ?   ?  0.000000 18.95179 
1 1 1  -35   19    9 o   42.725   20.283   33.703   16.209   60.879   21.899   0.7714   24.106   45.636   22.147  ?   ?  0.000000 22.14744 
1 1 1  -35   19   10 o   31.479   15.889   7.7415   16.462   4.2598   23.819   10.925   22.777  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   19   11 o   31.818   16.126   20.988   18.196   13.703   21.772   37.868   33.141  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   19   12 o  ?   ?   -0.5576   17.553   10.309   20.256 -33.3219   35.172  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   21    1 o   36.395   17.943  -1.2579   16.165   5.9282   22.666  -8.6962   23.061   40.035   19.989   36.991   18.688 3.043186 27.36394 
1 1 1  -35   21    2 o   46.379   21.474   21.276   16.329   8.4056   22.282   36.205   23.999   40.372   20.103   48.212   23.347 -7.839832 30.80874 
1 1 1  -35   21    3 o   43.638   20.671   17.646   16.660   35.036   23.239  -0.7408   23.896   47.486   22.990   38.074   19.209 9.411587 29.95837 
1 1 1  -35   21    4 o   34.045   17.025  -6.4523   16.746  -1.8245   23.972 -10.8632   23.404   37.219   18.825   35.529   18.036 1.690350 26.07099 
1 1 1  -35   21    5 o   47.755   22.040   29.898   16.997   17.018   23.758   43.401   24.326   39.978   20.035   46.699   22.814 -6.720535 30.36232 
1 1 1  -35   21    6 o   35.817   17.738   5.3347   16.448  -6.2348   22.830   17.821   23.717   34.414   17.503   38.807   19.522 -4.393551 26.21977 
1 1 1  -35   21    7 o   37.172   18.316   13.378   16.765   24.581   23.639   2.0390   23.781   38.576   19.417  ?   ?  0.000000 19.41700 
1 1 1  -35   21    8 o   33.675   17.116   5.6674   21.568   5.6674   21.568   0.0000   0.0000   33.675   17.116  ?   ?  0.000000 17.11594 
1 1 1  -35   21    9 o   35.020   17.410   16.963   16.439   30.583   23.253   3.3550   23.244   35.880   18.189  ?   ?  0.000000 18.18934 
1 1 1  -35   21   10 o   31.894   16.108   12.974   17.060  -4.7187   21.713   41.512   27.576  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   21   11 o  ?   ?  -18.2295   17.971 -34.5978   21.315   22.010   33.420  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   23    1 o   48.508   22.080   26.319   16.284   44.876   22.548   6.0916   23.542   51.522   24.298   39.159   19.668 12.36298 31.26022 
1 1 1  -35   23    2 o   39.228   19.023   8.9531   16.074   14.348   22.300   3.1174   23.192   40.839   20.299   38.271   19.260 2.567944 27.98147 
1 1 1  -35   23    3 o   33.483   16.758  -7.2751   16.376 -42.0507   22.848   29.454   23.482  ?   ?    44.114   21.725 0.000000 21.72466 
1 1 1  -35   23    4 o   38.985   19.608   12.364   23.862   34.937   33.221 -11.6927   34.296   41.542   21.127  ?   ?  0.000000 21.12716 
1 1 1  -35   23    5 f   45.069   21.061   26.349   16.279   57.457   23.076  -4.4721   22.970   51.391   24.339   34.926   17.743 16.46465 30.12020 
1 1 1  -35   23    6 o   31.658   16.090 -12.2992   19.045 -21.4781   33.015  -7.7213   23.316  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   23    7 o   32.911   16.453   2.2616   15.581  -3.4845   21.602   8.4922   22.495  ?   ?    34.789   17.662 0.000000 17.66238 
1 1 1  -35   23    8 o   43.067   20.437   34.650   16.424   55.687   24.356   17.107   22.242   41.524   20.731   34.750   17.635 6.773880 27.21651 
1 1 1  -35   23    9 o   29.633   15.003  -1.2261   15.469  -7.4463   22.831   4.0532   21.033  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   23   10 o  ?   ?  -12.5538   14.967 -20.8512   21.204  -4.3137   21.130  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   23   11 o   30.790   15.539   21.092   15.706   12.751   30.561   24.086   18.309  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   25    1 o   45.886   21.288   24.346   16.164   37.918   22.547   9.9955   23.185   46.848   22.672   38.891   19.531 7.956661 29.92442 
1 1 1  -35   25    2 o   33.061   16.605  -8.2161   16.780  -9.9789   23.439  -6.3627   24.034   35.033   17.810   35.747   18.160 -0.7146568 25.43548 
1 1 1  -35   25    3 o   43.445   20.626   22.376   16.769 -18.1126   23.193   66.724   24.274  ?   ?    54.922   25.682 0.000000 25.68212 
1 1 1  -35   25    4 o  ?   ?  -43.0639   18.854 -45.5931   23.087 -38.0000   32.667  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   25    5 f   37.038   18.303   11.253   17.175   44.989   24.313 -22.3493   24.265   43.916   21.716  ?   ?  0.000000 21.71614 
1 1 1  -35   25    6 o  ?   ?  -14.5975   18.866   3.2254   33.192 -23.1036   22.930  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   25    7 o   36.637   17.979   16.386   15.634   25.802   22.841   8.0851   21.445   36.850   18.614   33.831   17.183 3.018581 25.33253 
1 1 1  -35   25    8 o   32.573   16.305   8.1550   15.524   0.5244   22.917   14.625   21.103  ?   ?    33.543   17.037 0.000000 17.03747 
1 1 1  -35   25    9 o   33.394   16.866   20.759   18.712   25.421   22.501   10.307   33.694  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   25   10 o   30.853   15.356   12.477   12.945  -7.9854   26.036   19.196   14.919  ?   ?    32.158   16.080 0.000000 16.08002 
1 1 1  -35   27    1 o   29.103   14.780 -21.1243   15.828 -33.8020   22.246  -8.1271   22.525  ?   ?    34.385   17.478 0.000000 17.47830 
1 1 1  -35   27    2 o   35.179   17.701   0.3915   19.552 -14.3707   34.996   7.0903   23.574  ?   ?    36.963   18.693 0.000000 18.69303 
1 1 1  -35   27    3 o   32.884   16.516  -4.4382   16.603  -6.2231   23.095  -2.5291   23.884  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   27    4 o   38.004   18.629   14.330   16.636   31.459   23.732  -2.2193   23.327   40.620   20.307  ?   ?  0.000000 20.30658 
1 1 1  -35   27    5 o   32.242   16.372  -6.0533   19.381   2.0122   32.138 -10.6627   24.295  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   27    6 o  ?   ?  -24.0329   16.229 -30.4109   22.489 -17.1025   23.442  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   27    7 o   37.646   18.385   22.214   15.757   7.7381   22.366   36.478   22.202  ?   ?    38.017   19.095 0.000000 19.09481 
1 1 1  -35   27    8 o   32.563   16.291   11.254   15.412   24.632   22.631  -0.3170   21.048  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   27    9 o  ?   ?  -14.7513   16.819 -14.6824   19.632 -14.9415   32.610  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   27   10 o   27.801   14.121   5.3511   14.501   38.888   25.526 -10.6279   17.620  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   29    1 o   33.820   16.829   1.4756   15.510  -3.9793   21.686   7.1870   22.191   33.940   17.242   35.994   18.197 -2.054199 25.06873 
1 1 1  -35   29    2 f   34.708   17.268   4.4464   16.307  -0.5653   23.177   9.3596   22.948  ?   ?    36.204   18.323 0.000000 18.32320 
1 1 1  -35   29    3 o   32.214   16.189  -3.1626   16.085   8.2022   22.501 -15.0391   23.002   35.560   18.013  ?   ?  0.000000 18.01313 
1 1 1  -35   29    4 o   31.321   15.832  -5.9559   16.737 -27.6221   23.808   15.216   23.535  ?   ?    36.087   18.295 0.000000 18.29490 
1 1 1  -35   29    5 o  ?   ?   -9.9939   17.931   10.839   27.309 -25.7833   23.774  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   29    6 o   36.608   18.060   19.750   16.467   11.884   23.687   27.106   22.908  ?   ?    36.138   18.292 0.000000 18.29170 
1 1 1  -35   29    7 o   34.021   16.946   15.224   15.891 -29.8257   23.885   50.996   21.284  ?   ?    40.709   20.164 0.000000 20.16364 
1 1 1  -35   29    8 o   31.814   16.144   14.655   18.612   40.219   22.836 -35.9268   32.122   35.005   17.774  ?   ?  0.000000 17.77433 
1 1 1  -35   29    9 f  ?   ?  -10.4754   12.183 -38.6537   24.453  -1.1722   14.051  ?   ?    27.133   13.793 0.000000 13.79309 
1 1 1  -35   31    1 o  ?   ?  -29.0393   18.946 -34.0694   24.343 -21.3122   30.172  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   31    2 o   33.756   16.807   4.9329   15.567   11.510   21.873  -1.8180   22.159   35.413   17.919  ?   ?  0.000000 17.91944 
1 1 1  -35   31    3 o  ?   ?  -16.3649   16.003 -12.6462   22.881 -19.9261   22.391  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   31    4 o   31.163   15.754  -2.7286   16.599   13.065   23.825 -17.6248   23.138  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   31    5 o   29.243   14.850  -8.2512   15.968 -29.2495   22.457   13.221   22.709  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   31    6 o   35.921   17.778   21.553   16.424   23.984   22.952   19.001   23.513  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   31    7 o   30.774   15.538   6.9283   15.809   44.960   22.883 -27.7964   21.866   36.298   18.363  ?   ?  0.000000 18.36277 
1 1 1  -35   31    8 o   29.469   14.883   7.0087   14.562   15.678   27.466   3.6192   17.174  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   31    9 o  ?   ?  -15.0014   13.761 -27.2098   25.793 -10.1436   16.270  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   33    1 o  ?   ?  -11.7629   17.977  -9.5492   22.871 -15.3415   29.080  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   33    2 o   35.820   17.905   17.247   18.433   10.104   23.586   28.454   29.544  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   33    3 o   33.766   17.049   10.649   19.035   10.247   24.267   11.293   30.689  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   33    4 o   32.200   16.360   5.4433   19.555  -1.0244   26.105   13.712   29.517  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   33    5 o   29.729   15.120  -2.9746   17.021   0.0548   20.571  -9.5512   30.309  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   33    6 o   31.624   16.021   11.131   17.823   11.659   22.336   10.205   29.572  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   33    7 o   29.781   15.138   7.6080   16.894   23.873   29.401  -0.4097   20.642  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   33    8 o   30.107   15.168   14.658   14.604   10.205   27.677   16.376   17.192  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   35    1 o  ?   ?  -17.2639   15.131   3.0379   21.838 -36.0105   20.985  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   35    2 o   35.424   17.541   18.170   16.066   22.248   23.429   14.549   22.074  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   35    3 o   33.280   16.761   13.420   17.742  -5.0989   22.628   42.971   28.584  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   35    4 o  ?   ?  -40.5845   18.541 -37.0780   24.853 -44.9854   27.842  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   35    5 o  ?   ?  -17.8731   16.157   4.5432   19.740 -63.3658   28.121  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   35    6 o  ?   ?  -24.8743   13.663 -63.4634   24.369  -7.1840   16.500  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   35    7 o  ?   ?    21.883   27.106   21.883   27.106   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   37    1 o  ?   ?   -6.5159   15.415  -3.0663   22.196  -9.7303   21.425  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   37    2 o   33.636   16.746   16.373   15.446 -12.2711   22.425   42.232   21.307  ?   ?    37.166   18.672 0.000000 18.67202 
1 1 1  -35   37    3 o   30.871   15.621   7.8231   16.617   13.405   29.462   5.2188   20.124  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   37    4 o   30.324   15.265   7.6154   14.632   28.625   20.849 -12.7737   20.539   33.346   16.937  ?   ?  0.000000 16.93712 
1 1 1  -35   37    5 o   28.811   14.445   4.8222   12.426 -10.8683   25.868   9.5285   14.167  ?   ?    30.069   15.122 0.000000 15.12163 
1 1 1  -35   37    6 o   30.153   15.211   14.840   14.966  -4.7727   26.106   24.441   18.266  ?   ?    31.119   15.811 0.000000 15.81078 
1 1 1  -35   39    1 o  ?   ?  -22.1894   14.673 -23.9563   21.156 -20.5517   20.368  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   39    2 o   30.660   15.395   10.270   14.364   4.3826   20.993   15.453   19.697  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   39    3 o   30.268   15.332   11.405   16.291   5.7366   26.464   14.864   20.672  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   39    4 o  ?   ?  -10.0767   12.627  -6.5171   25.784 -11.1998   14.482  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   39    5 o   25.752   13.091  -2.7785   12.658   11.385   25.128  -7.5946   14.653  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   41    1 o   33.875   16.714   25.074   14.128   23.933   20.402   26.125   19.584  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   41    2 o  ?   ?   -5.6572   16.109  -5.1707   30.012  -5.8541   19.093  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   41    3 o   28.489   14.322   8.4237   12.641 -12.4537   26.412   14.627   14.397  ?   ?    29.771   15.006 0.000000 15.00624 
1 1 1  -35   41    4 o  ?   ?   -5.0452   12.638   30.078   25.369 -16.6377   14.575  ?   ?   ?   ?  0.000000      ? 
1 1 1  -35   43    1 o   27.428   13.920   8.6056   13.871 -29.8410   20.200   42.908   19.080  ?   ?    32.076   16.283 0.000000 16.28341 
1 1 1  -34    0    1 o   31.760   22.396 -22.3061   19.593 -22.3061   19.593 -22.3061   19.593   31.760   22.396   31.760   22.396 0.000000 0.000000 
1 1 1  -34    0    2 o   60.895   33.427   18.980   20.276   18.980   20.276   18.980   20.276   60.895   33.427   60.895   33.427 0.000000 0.000000 
1 1 1  -34    0    3 o   41.733   28.111  -8.8187   23.346  -8.8187   23.346  -8.8187   23.346   41.733   28.111   41.733   28.111 0.000000 0.000000 
1 1 1  -34    0    4 o   43.614   30.345 -26.4878   32.613 -26.4878   32.613 -26.4878   32.613   43.614   30.345   43.614   30.345 0.000000 0.000000 
1 1 1  -34    0    5 o   33.211   23.585 -29.4076   23.064 -29.4076   23.064 -29.4076   23.064   33.211   23.585   33.211   23.585 0.000000 0.000000 
1 1 1  -34    0    6 o   52.183   32.380   8.5994   23.386   8.5994   23.386   8.5994   23.386   52.183   32.380   52.183   32.380 0.000000 0.000000 
1 1 1  -34    0    7 o   37.239   25.799 -16.7634   22.931 -16.7634   22.931 -16.7634   22.931   37.239   25.799   37.239   25.799 0.000000 0.000000 
1 1 1  -34    0    8 o   50.405   31.922   6.5264   23.998   6.5264   23.998   6.5264   23.998   50.405   31.922   50.405   31.922 0.000000 0.000000 
1 1 1  -34    0    9 o   34.442   24.618 -35.8183   26.694 -35.8183   26.694 -35.8183   26.694   34.442   24.618   34.442   24.618 0.000000 0.000000 
1 1 1  -34    0   10 o   39.534   27.418 -16.3118   26.075 -16.3118   26.075 -16.3118   26.075   39.534   27.418   39.534   27.418 0.000000 0.000000 
1 1 1  -34    0   11 o   54.450   35.489   8.7707   32.497   8.7707   32.497   8.7707   32.497   54.450   35.489   54.450   35.489 0.000000 0.000000 
1 1 1  -34    0   12 o   27.977   20.469 -53.5873   24.839 -53.5873   24.839 -53.5873   24.839   27.977   20.469   27.977   20.469 0.000000 0.000000 
1 1 1  -34    0   13 o   56.294   33.812   21.728   23.726   21.728   23.726   21.728   23.726   56.294   33.812   56.294   33.812 0.000000 0.000000 
1 1 1  -34    0   14 o   31.973   22.869 -22.1671   23.200 -22.1671   23.200 -22.1671   23.200   31.973   22.869   31.973   22.869 0.000000 0.000000 
1 1 1  -34    2    1 o   50.979   21.896   11.055   13.892   24.044   19.218  -3.1571   20.103   61.713   26.103   46.032   22.055 15.68052 34.17259 
1 1 1  -34    2    2 o   36.502   17.757 -12.2813   14.298  -8.3764   20.035 -16.3346   20.412   43.707   21.205   41.298   20.322 2.409435 29.37069 
1 1 1  -34    2    3 o   64.339   26.276   28.163   18.523   64.976   30.720   7.1338   23.219   78.112   33.018   51.052   24.247 27.06021 40.96510 
1 1 1  -34    2    4 o   40.918   20.411 -22.8431   23.412 -49.6585   33.202   3.6771   33.018   41.983   21.329   51.440   25.413 -9.457123 33.17712 
1 1 1  -34    2    5 o   42.334   20.245  -1.6182   16.765   12.164   23.089 -16.9882   24.383   50.930   24.187   42.176   21.005 8.754101 32.03450 
1 1 1  -34    2    6 o   47.242   21.827   9.7956   16.737 -14.8365   23.360   35.783   23.994   41.122   20.493   60.232   27.170 -19.11076 34.03180 
1 1 1  -34    2    7 o   62.863   25.350   32.858   16.990   26.381   23.629   39.792   24.446   53.201   25.024   59.215   26.992 -6.014034 36.80692 
1 1 1  -34    2    8 o   49.527   22.703   19.619   17.613   16.942   24.729   22.375   25.093   47.085   23.002   48.780   23.681 -1.695034 33.01368 
1 1 1  -34    2    9 o  ?   ?  -24.8350   25.659 -24.8350   25.659   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    2   10 o   37.531   18.661   0.6451   18.915   54.509   25.991 -59.9948   27.578   52.626   25.178  ?   ?  0.000000 25.17804 
1 1 1  -34    2   11 o   40.828   20.333   21.507   22.830 -15.1463   30.855   65.854   33.939  ?   ?    45.349   22.881 0.000000 22.88073 
1 1 1  -34    2   12 o   33.951   17.061   2.3861   17.841  -1.1856   24.565   6.3729   25.953  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    2   13 o   36.561   18.105   21.105   17.126   14.786   23.811   27.876   24.649  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    2   14 o  ?   ?   -1.8740   16.259 -16.9765   22.814   13.715   23.178  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    4    1 o   56.453   23.092   16.874   14.336   22.705   19.853   10.521   20.724   60.273   26.033   52.660   24.315 7.613060 35.62229 
1 1 1  -34    4    2 o   42.094   19.828  -2.0946   14.933  -3.3045   20.771  -0.8001   21.484   46.048   22.154   47.468   22.758 -1.419933 31.76029 
1 1 1  -34    4    3 o   64.681   27.487   31.482   21.474   21.020   30.322   42.010   30.417   57.066   27.273   65.475   29.947 -8.408947 40.50490 
1 1 1  -34    4    4 o   52.737   24.773   13.745   23.028  -7.0732   32.093   35.839   33.062   48.624   24.198   60.312   28.728 -11.68789 37.56104 
1 1 1  -34    4    5 o   42.806   20.374  -0.1104   16.562   28.412   22.613 -33.1176   24.326   58.835   26.473   38.560   19.445 20.27575 32.84725 
1 1 1  -34    4    6 o   48.989   22.316   12.871   16.674   32.065   22.492 -10.5462   24.844   58.887   26.458   42.798   21.297 16.08903 33.96455 
1 1 1  -34    4    7 o   32.396   16.311 -26.4780   16.740 -32.4987   24.239 -20.9871   23.148   36.885   18.686   38.424   19.324 -1.538601 26.88085 
1 1 1  -34    4    8 o   44.084   21.026   9.6046   17.835  -6.2784   25.396   25.062   25.053   41.104   20.615   49.506   23.943 -8.402214 31.59497 
1 1 1  -34    4    9 o   41.179   20.036   6.9314   18.228   14.892   25.764  -1.0461   25.792   43.930   21.832   40.450   20.350 3.479935 29.84580 
1 1 1  -34    4   10 o   32.726   16.535 -17.0811   18.092 -20.3233   25.884 -13.9841   25.298  ?   ?    36.243   18.433 0.000000 18.43250 
1 1 1  -34    4   11 o  ?   ?  -33.8428   24.567 -35.8244   32.334 -31.1366   37.787  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    4   12 o   32.169   16.330  -7.0894   19.178  -5.1475   23.906 -10.5951   32.122  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    4   13 o   30.076   15.267  -4.5454   16.742   1.2835   23.001 -11.1142   24.417  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    4   14 o   31.728   16.136   19.333   19.369   5.7972   23.966   44.824   32.889  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    6    1 o   50.283   22.130   10.192   14.931 -29.6819   20.479   55.438   21.815   37.593   18.804   87.618   29.942 -50.02468 35.35703 
1 1 1  -34    6    2 o   45.302   20.935   2.9978   15.411  -4.1350   21.879   10.021   21.710   46.205   22.354   52.084   24.333 -5.879562 33.04203 
1 1 1  -34    6    3 o   41.883   20.719 -16.9487   22.208   3.2976   31.395 -37.2244   31.418   51.555   25.336   43.252   21.846 8.302624 33.45398 
1 1 1  -34    6    4 o   43.188   21.218  -9.9300   21.970   15.829   29.125 -43.9366   33.464   53.715   25.938   42.598   21.619 11.11729 33.76617 
1 1 1  -34    6    5 o   36.748   18.090 -13.7823   16.233 -23.0832   22.489  -3.6647   23.456   39.258   19.647   44.992   22.068 -5.734226 29.54659 
1 1 1  -34    6    6 o   39.177   19.024  -5.4220   16.224  -5.2028   22.455  -5.6615   23.467   42.945   21.167   43.259   21.381 -0.3144341 30.08647 
1 1 1  -34    6    7 o   34.439   17.223 -19.5180   17.148 -25.6970   24.428 -13.5150   24.078   38.055   19.226   40.336   20.207 -2.280659 27.89234 
1 1 1  -34    6    8 o   46.161   22.239   14.874   21.110 -16.1707   39.933   26.915   24.869  ?   ?    49.881   24.057 0.000000 24.05719 
1 1 1  -34    6    9 o   32.967   16.647 -21.1149   18.173 -16.6219   25.278 -25.9215   26.145   37.328   18.928  ?   ?  0.000000 18.92809 
1 1 1  -34    6   10 o   34.410   17.410 -14.3464   20.608   10.112   35.055 -27.2631   25.475  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    6   11 f   35.368   17.680   1.2376   17.981  -6.3134   25.655   8.5281   25.208  ?   ?    37.627   19.061 0.000000 19.06063 
1 1 1  -34    6   12 o   37.257   18.782   19.257   22.593   3.4161   29.745   40.859   34.734  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    6   13 o   33.144   16.630   9.9126   16.622   10.026   23.288   9.7947   23.732  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    8    1 o   71.252   28.900   40.033   22.221   0.0000   0.0000   40.033   22.221  ?   ?    71.252   28.900 0.000000 28.90022 
1 1 1  -34    8    2 o   44.681   21.294  -1.4414   18.215   44.220   32.867 -21.6830   21.883   65.143   30.268   40.493   20.123 24.65058 36.34678 
1 1 1  -34    8    3 o   65.411   28.142   35.543   23.019   10.615   31.259   65.073   34.022   53.035   25.899   72.116   32.458 -19.08102 41.52457 
1 1 1  -34    8    4 o   45.905   22.255  -0.8635   21.958 -29.3610   28.600   40.059   34.272   42.199   21.256   60.218   28.837 -18.01874 35.82440 
1 1 1  -34    8    5 o   38.236   18.634  -8.6014   15.948   1.9969   22.107 -20.1009   23.028   45.996   22.306   40.097   20.039 5.898537 29.98557 
1 1 1  -34    8    6 o   45.180   21.036   7.6567   16.009   21.232   22.561  -6.1102   22.720   52.369   24.574   42.536   21.026 9.833015 32.34180 
1 1 1  -34    8    7 o   43.254   20.617   5.7986   17.092   2.1013   24.074   9.5569   24.271   43.895   21.688   46.080   22.570 -2.185253 31.30096 
1 1 1  -34    8    8 o   34.683   17.389 -17.0248   17.993  -0.0227   25.024 -35.2233   25.889   41.881   20.924  ?   ?  0.000000 20.92437 
1 1 1  -34    8    9 o   44.859   21.365   17.033   18.273   8.7141   25.228   26.214   26.502   41.903   20.946   46.025   22.743 -4.122543 30.91926 
1 1 1  -34    8   10 o   36.369   18.287  -3.9221   20.669   23.927   35.700 -17.9645   25.350  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    8   11 o   40.698   19.737   18.339   17.306   33.847   24.650   3.2642   24.303   42.508   21.162   36.433   18.483 6.075466 28.09740 
1 1 1  -34    8   12 o  ?   ?    6.3396   23.520   6.3396   23.520   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34    8   13 o   30.788   15.563   1.2218   16.183   17.441   23.218 -14.1032   22.569  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   10    1 o   81.241   27.309   44.140   18.144   74.732   31.982   29.621   22.033   81.378   34.000   62.705   27.254 18.67368 43.57516 
1 1 1  -34   10    2 o   72.661   29.454   44.899   23.067   14.195   32.751   75.122   32.493   54.341   26.531   79.842   33.865 -25.50069 43.02010 
1 1 1  -34   10    3 o   50.249   23.856   8.8490   22.431  -2.1688   30.330   22.151   33.326   48.982   24.227   55.694   27.096 -6.711830 36.34785 
1 1 1  -34   10    4 o   41.202   20.074  -7.2146   18.478   19.741   29.708 -24.2233   23.598   53.854   26.053   39.952   20.014 13.90176 32.85260 
1 1 1  -34   10    5 o   36.079   17.738 -12.4246   15.438 -50.2927   20.856   33.479   22.962  ?   ?    59.966   26.853 0.000000 26.85262 
1 1 1  -34   10    6 o   47.913   21.930   12.720   16.352   8.4429   23.200   16.941   23.050   46.798   22.731   49.930   23.839 -3.131626 32.93926 
1 1 1  -34   10    7 o   48.310   22.796   16.831   19.899   38.829   34.929   6.2601   24.213   51.888   25.724   44.667   22.009 7.220139 33.85446 
1 1 1  -34   10    8 o   32.718   16.487 -22.1723   17.303  -7.2100   24.313 -37.5301   24.632   39.766   19.974  ?   ?  0.000000 19.97439 
1 1 1  -34   10    9 o   37.532   18.540  -0.8474   17.563  -5.7959   24.119   4.7393   25.627   38.338   19.337   40.688   20.446 -2.350281 28.14157 
1 1 1  -34   10   10 o   40.134   19.897   12.417   20.903   33.522   34.829   0.5357   26.133  ?   ?    37.931   19.235 0.000000 19.23494 
1 1 1  -34   10   11 o   31.788   16.068 -10.7641   17.230 -19.1566   24.322  -2.3080   24.413  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   10   12 o   38.505   19.087   23.524   19.211   29.388   23.675   12.220   32.871   38.287   19.292  ?   ?  0.000000 19.29218 
1 1 1  -34   10   13 o  ?   ?   -5.3472   19.195  -3.4685   23.007  -9.6488   34.814  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   12    1 o   44.025   21.126  -2.3396   18.605 -25.6927   32.578   8.9634   22.665   45.331   22.814   50.693   24.042 -5.361668 33.14335 
1 1 1  -34   12    2 o   52.204   23.630   14.090   18.333  -3.3527   30.003   24.483   23.159   48.620   24.057   57.822   26.324 -9.201900 35.66071 
1 1 1  -34   12    3 o   49.388   23.624   7.9319   22.853   26.912   30.738 -15.5268   34.172   56.509   27.126   46.842   23.548 9.666725 35.92136 
1 1 1  -34   12    4 o   47.394   22.212   8.0747   18.334   1.4063   30.570   11.820   22.912   48.338   23.981   50.057   23.863 -1.719707 33.83132 
1 1 1  -34   12    5 o   37.710   18.363  -7.4181   15.402 -28.2560   21.444   14.786   22.136   36.611   18.437   50.000   23.726 -13.38860 30.04747 
1 1 1  -34   12    6 o   61.683   25.176   31.743   16.992   14.194   23.969   49.475   24.093   48.277   23.366   65.121   28.399 -16.84396 36.77613 
1 1 1  -34   12    7 o   37.806   18.795 -10.0576   19.163 -10.5733   24.495  -9.2439   30.766   40.168   20.159   42.252   21.367 -2.083820 29.37559 
1 1 1  -34   12    8 o   37.938   18.673  -2.5053   17.274   15.845   23.825 -22.8396   25.080   44.936   22.081   36.817   18.688 8.119534 28.92760 
1 1 1  -34   12    9 o   34.320   17.359 -17.6007   20.386 -46.8390   33.909  -1.0504   25.512  ?   ?    39.111   19.746 0.000000 19.74593 
1 1 1  -34   12   10 o   35.673   17.754  -0.2980   17.292 -12.2253   22.663   16.321   26.752   34.747   17.650   40.184   20.280 -5.437115 26.88439 
1 1 1  -34   12   11 o   33.126   16.659  -3.6229   17.190 -20.7467   23.508   16.059   25.202  ?   ?    37.807   19.142 0.000000 19.14208 
1 1 1  -34   12   12 o  ?   ?   -6.1140   22.004   0.0000   0.0000  -6.1140   22.004  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   12   13 o  ?   ?  -53.9000   21.426 -53.9000   21.426   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   14    1 o   71.118   27.277   38.292   18.823   31.956   32.029   41.635   23.264   58.288   27.903   68.005   28.739 -9.717045 40.05663 
1 1 1  -34   14    2 o   58.639   25.411   24.828   19.042 -24.2341   31.096   54.263   24.085   44.111   22.212   75.985   30.344 -31.87384 37.60466 
1 1 1  -34   14    3 o   59.577   26.824   31.042   23.260   53.268   31.211   3.2771   34.884   65.173   30.002   49.731   24.825 15.44223 38.94118 
1 1 1  -34   14    4 o   36.529   17.960 -12.1416   15.836  -8.9743   21.481 -15.9115   23.436   41.729   20.593   40.985   20.441 0.7439499 29.01607 
1 1 1  -34   14    5 o   66.408   25.154   33.450   15.881   60.318   21.911   3.7126   23.051   80.212   29.718   45.386   22.180 34.82629 37.08213 
1 1 1  -34   14    6 o   55.505   23.923   25.298   16.694  -2.0715   23.135   55.031   24.113   42.510   21.050   67.394   28.894 -24.88385 35.74880 
1 1 1  -34   14    7 o   51.849   23.071   23.157   16.664   34.097   23.433   11.964   23.701   53.368   25.044   45.112   22.138 8.256428 33.42572 
1 1 1  -34   14    8 o   48.202   22.263   21.668   17.390   21.987   23.873   21.308   25.384   46.096   22.537   45.612   22.486 0.4843063 31.83615 
1 1 1  -34   14    9 o   48.847   22.910   30.682   19.570   40.727   30.261   23.462   25.656   46.216   23.078   43.668   21.716 2.548206 31.68874 
1 1 1  -34   14   10 o  ?   ?  -26.5523   17.004 -23.7981   22.784 -30.0147   25.546  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   14   11 o  ?   ?  -33.6819   16.893 -27.8808   23.722 -39.6504   24.062  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   14   12 o   32.698   16.490   3.8466   17.502   15.078   21.418 -18.7317   30.367   34.932   17.682  ?   ?  0.000000 17.68226 
1 1 1  -34   14   13 o   31.788   16.120   11.886   18.363  -7.1332   21.738   59.268   34.311  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   16    1 o   75.017   26.165   39.341   16.694   10.641   22.950   71.589   24.328   49.908   23.817   90.081   31.577 -40.17334 39.55176 
1 1 1  -34   16    2 o   38.171   19.183 -27.6896   22.591 -52.3415   31.063  -0.0149   32.913  ?   ?    48.517   24.202 0.000000 24.20208 
1 1 1  -34   16    3 o   42.810   20.608  -0.5063   18.038  -9.4412   20.803   26.561   36.209   41.255   20.342   53.593   26.502 -12.33794 33.40859 
1 1 1  -34   16    4 o   38.117   18.573  -6.9539   15.832 -18.3722   21.335   7.0385   23.618   38.628   19.302   46.951   22.835 -8.322823 29.90003 
1 1 1  -34   16    5 o   33.852   16.900 -18.9486   16.177 -41.3223   22.242   6.1803   23.572   34.116   17.344   45.591   22.312 -11.47506 28.26000 
1 1 1  -34   16    6 f   43.499   20.964   6.6259   18.797   8.1681   23.459   3.8600   31.416   44.854   22.014   44.843   22.547 0.1136780E-01 31.51182 
1 1 1  -34   16    7 o   35.883   17.791  -8.8326   16.725 -18.4420   23.402   1.2003   23.912   37.196   18.795   41.552   20.712 -4.355736 27.96806 
1 1 1  -34   16    8 o   44.484   21.060   16.078   17.241   9.7246   23.329   23.725   25.593   41.896   20.813   45.385   22.412 -3.489227 30.58603 
1 1 1  -34   16    9 o  ?   ?  -31.0317   16.884 -11.9570   22.634 -54.9589   25.351   35.467   17.977  ?   ?  0.000000 17.97654 
1 1 1  -34   16   10 o   46.880   21.773   29.873   16.978   40.641   22.579   15.860   25.755   46.221   22.445   38.932   19.676 7.289047 29.84806 
1 1 1  -34   16   11 o   32.822   16.501  -1.2392   16.792  -8.0096   22.387   7.4698   25.390  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   16   12 o  ?   ?  -29.6241   17.126 -22.0461   19.953 -50.8293   33.377  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   16   13 o  ?   ?   -5.5372   15.469 -20.7171   28.953   0.5279   18.301  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   18    1 o   65.280   25.044   30.827   15.869   34.453   21.414   26.410   23.634   61.826   26.870   55.809   25.838 6.017075 37.27762 
1 1 1  -34   18    2 o   36.916   18.320 -16.3020   17.891  -5.2648   21.017 -45.3512   34.096   42.468   20.842  ?   ?  0.000000 20.84178 
1 1 1  -34   18    3 o   41.496   19.836   0.4506   16.057   12.213   21.553 -14.2214   24.072   48.559   23.148   41.182   20.567 7.377167 30.96511 
1 1 1  -34   18    4 o   68.158   25.471   36.168   16.165   13.807   22.438   60.300   23.309   48.379   23.211   75.276   29.917 -26.89759 37.86502 
1 1 1  -34   18    5 o   53.356   23.394   22.732   16.547   26.311   22.660   18.643   24.221   52.290   24.566   48.854   23.606 3.436127 34.07006 
1 1 1  -34   18    6 o   32.460   16.326 -22.0310   16.545  -6.0186   22.745 -40.0240   24.111   40.125   20.032  ?   ?  0.000000 20.03233 
1 1 1  -34   18    7 o   46.475   21.644   17.650   16.961   19.008   23.026   16.038   25.078   45.696   22.296   44.609   22.058 1.087788 31.36354 
1 1 1  -34   18    8 o   46.361   21.996   23.149   19.010   26.951   28.811   20.218   25.298   44.532   22.279   43.614   21.668 0.9181175 31.07838 
1 1 1  -34   18    9 o  ?   ?  -31.0924   15.982 -29.7938   21.293 -32.7680   24.188  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   18   10 f   36.495   18.082   7.3994   17.162 -23.2887   24.383   37.529   24.160  ?   ?    43.167   21.399 0.000000 21.39933 
1 1 1  -34   18   11 o  ?   ?  -16.2185   16.331   6.2108   22.191 -42.7195   24.122   34.492   17.515  ?   ?  0.000000 17.51462 
1 1 1  -34   18   12 o  ?   ?  -26.7385   14.313 -12.6165   17.682 -53.5729   24.375  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   20    1 o   52.474   22.898   18.408   15.686   35.161   21.054  -2.4887   23.515   61.074   26.593   43.868   21.630 17.20599 34.27893 
1 1 1  -34   20    2 o   50.831   23.220   17.426   18.211   15.210   21.578   22.912   33.950   49.426   23.446   51.185   25.373 -1.759335 34.54695 
1 1 1  -34   20    3 o   55.946   24.802   27.034   19.085   46.976   31.442   15.400   24.016   57.522   27.566   48.858   23.583 8.664459 36.27703 
1 1 1  -34   20    4 o   41.519   20.198   0.4247   18.507   28.771   32.738 -12.8893   22.437   50.736   25.108   39.450   19.725 11.28582 31.92979 
1 1 1  -34   20    5 o   33.789   16.891 -17.2428   16.419   1.1687   22.731 -37.3303   23.743   42.324   20.941  ?   ?  0.000000 20.94134 
1 1 1  -34   20    6 o   53.934   23.447   26.931   16.314   23.889   21.832   30.778   24.551   48.597   23.202   50.174   24.126 -1.577351 33.47240 
1 1 1  -34   20    7 o   34.653   17.267  -9.4534   16.560  -2.4147   22.059 -18.5446   25.069   38.839   19.440   36.712   18.640 2.127380 26.93251 
1 1 1  -34   20    8 o   65.061   26.670   54.642   19.172   46.371   29.001   61.063   25.553   47.620   23.578   55.445   26.061 -7.824661 35.14376 
1 1 1  -34   20    9 o   31.232   15.760 -13.9199   16.120 -22.2087   22.207  -4.6876   23.437  ?   ?    35.775   18.149 0.000000 18.14911 
1 1 1  -34   20   10 o   37.662   18.497   12.887   16.648   29.901   23.733  -3.5945   23.359   40.491   20.252  ?   ?  0.000000 20.25177 
1 1 1  -34   20   11 o   33.109   16.693   3.8818   17.868   18.081   21.963 -23.9122   30.728   35.889   18.141  ?   ?  0.000000 18.14072 
1 1 1  -34   20   12 o   30.254   15.194   2.6128   14.030 -19.8976   29.018   9.4803   16.028  ?   ?    32.136   16.151 0.000000 16.15126 
1 1 1  -34   22    1 o   37.884   18.476  -5.8119   15.764  -2.0454   21.257 -10.4142   23.498   42.285   20.794   40.968   20.438 1.316795 29.15667 
1 1 1  -34   22    2 o   40.220   19.704  -3.8631   18.535  -0.1849   22.366 -11.9268   33.116   43.035   21.195   43.563   22.044 -0.5277138 30.58017 
1 1 1  -34   22    3 o   39.641   19.503  -4.8832   18.778   2.0724   22.717 -19.8878   33.365   43.338   21.347   41.992   21.338 1.345230 30.18316 
1 1 1  -34   22    4 o   36.386   17.982  -9.1557   16.579   20.594   23.306 -39.6319   23.589   48.651   23.421  ?   ?  0.000000 23.42110 
1 1 1  -34   22    5 o   42.834   20.309   8.8965   16.151 -18.2121   22.384   38.338   23.327   36.894   18.611   54.611   25.416 -17.71718 31.50117 
1 1 1  -34   22    6 o   32.227   16.203 -18.5525   16.204  -6.9035   22.452 -31.2163   23.410   38.386   19.270  ?   ?  0.000000 19.26991 
1 1 1  -34   22    7 o   47.087   22.153   24.244   18.537   33.044   28.602   17.869   24.342   45.848   22.821   43.103   21.387 2.745583 31.27577 
1 1 1  -34   22    8 o   43.215   20.439   18.197   16.167   27.669   21.768   6.5426   24.145   44.597   21.742   38.787   19.536 5.810604 29.22948 
1 1 1  -34   22    9 o   30.212   15.325 -18.1407   16.680 -35.6018   24.960  -4.0518   22.421  ?   ?    34.996   17.754 0.000000 17.75382 
1 1 1  -34   22   10 o   30.325   15.301  -8.9332   15.176 -17.6281   21.737  -0.6631   21.199  ?   ?    33.772   17.146 0.000000 17.14624 
1 1 1  -34   22   11 o   30.183   15.168  -2.2574   14.104 -35.9561   29.045   8.1399   16.134  ?   ?    33.347   16.682 0.000000 16.68168 
1 1 1  -34   22   12 o   35.598   17.454   22.153   14.631   0.2875   30.874   28.486   16.616  ?   ?    36.345   17.969 0.000000 17.96856 
1 1 1  -34   24    1 o   52.963   23.815   24.421   18.264   22.745   21.837   28.322   33.317   50.485   23.840   49.806   24.764 0.6793022 34.37473 
1 1 1  -34   24    2 o   53.717   23.560   24.486   16.795   16.098   23.162   33.785   24.388   47.311   22.917   53.848   25.357 -6.536289 34.17807 
1 1 1  -34   24    3 o   37.230   18.362  -6.8959   16.982  -3.8706   24.343  -9.7640   23.702   41.298   20.634   39.759   19.937 1.538342 28.69213 
1 1 1  -34   24    4 o   42.502   20.259   8.1694   16.505   5.6908   22.944   10.827   23.760   42.687   21.106   44.218   21.790 -1.530735 30.33629 
1 1 1  -34   24    5 o   53.793   23.479   28.361   16.500   22.586   23.155   34.319   23.518   46.771   22.716   50.986   24.270 -4.214470 33.24227 
1 1 1  -34   24    6 o   35.322   17.436  -4.3621   15.436  -7.2306   20.078  -0.2168   24.136   36.686   18.390   39.394   19.802 -2.707966 27.02386 
1 1 1  -34   24    7 o   39.343   19.282   8.0334   17.796  -3.9541   28.516   15.680   22.775  ?   ?    41.582   20.642 0.000000 20.64156 
1 1 1  -34   24    8 o   42.162   20.121   18.400   16.381  -2.3832   24.214   35.938   22.243   36.326   18.431   45.812   22.253 -9.485695 28.89485 
1 1 1  -34   24    9 o   34.082   17.025   0.8874   16.529 -21.3841   25.260   17.564   21.858  ?   ?    38.438   19.256 0.000000 19.25588 
1 1 1  -34   24   10 o   39.257   19.513   28.560   20.612   34.049   29.114   23.044   29.186  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   24   11 o   29.288   14.650  -1.1564   12.429   12.107   27.904  -4.4394   13.882  ?   ?    28.900   14.588 0.000000 14.58784 
1 1 1  -34   26    1 o   46.545   21.887   15.593   18.056   28.529   21.802 -12.6488   32.214   51.546   24.178   41.354   21.010 10.19139 32.03098 
1 1 1  -34   26    2 o   34.414   17.165 -13.8157   16.536 -20.3593   23.470  -7.3652   23.302   37.065   18.737   39.634   19.859 -2.568764 27.30268 
1 1 1  -34   26    3 o   34.165   17.230 -21.1188   19.118 -22.7168   23.378 -17.8927   33.218   36.266   18.370  ?   ?  0.000000 18.36958 
1 1 1  -34   26    4 o   46.505   21.603   17.968   16.727   50.420   22.695 -20.6217   24.749   59.581   26.687   36.718   18.630 22.86318 32.54670 
1 1 1  -34   26    5 o   40.804   19.721   8.3948   16.931   13.801   23.589   2.6511   24.314   42.748   21.183   40.139   20.136 2.609013 29.22677 
1 1 1  -34   26    6 o   31.600   15.912 -16.2734   15.958 -29.1698   21.970  -1.8692   23.218  ?   ?    37.930   19.111 0.000000 19.11130 
1 1 1  -34   26    7 o   37.370   18.343   5.5162   16.305   1.6580   23.616   9.0304   22.538   37.454   18.920   38.881   19.489 -1.427063 27.16255 
1 1 1  -34   26    8 o   35.781   17.647   4.9528   15.684   3.7684   24.476   5.7778   20.429   36.472   18.508   36.543   18.350 -0.7094955E-01 26.06222 
1 1 1  -34   26    9 o   30.634   15.470  -8.9693   15.719   0.0424   23.621 -16.1325   21.059  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   26   10 o   29.117   14.658  -6.0986   13.502 -50.3415   27.298   8.2298   15.535  ?   ?    33.686   16.775 0.000000 16.77525 
1 1 1  -34   26   11 o   27.853   14.057  -4.3246   12.859   22.200   28.066 -11.3721   14.467  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   28    1 o   40.918   19.934   5.3883   18.207 -14.8194   22.145   47.537   31.982   36.855   18.581   50.769   25.068 -13.91434 31.20371 
1 1 1  -34   28    2 o   59.463   24.766   36.089   16.894   41.636   23.572   30.231   24.224   53.933   25.248   48.913   23.628 5.020489 34.57923 
1 1 1  -34   28    3 o   34.745   17.333 -10.2029   16.888 -26.5581   23.231   8.1243   24.592   34.786   17.689   41.904   20.906 -7.118202 27.38514 
1 1 1  -34   28    4 o   51.478   22.992   28.216   16.718   18.569   23.045   38.931   24.288   43.894   21.598   50.134   24.079 -6.240723 32.34589 
1 1 1  -34   28    5 o  ?   ?  -31.2753   16.286 -26.3339   21.691 -37.6599   24.656  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   28    6 f   36.881   18.354   1.9863   18.467  -7.9073   28.945   8.7779   23.982  ?   ?    39.131   19.678 0.000000 19.67848 
1 1 1  -34   28    7 o   68.544   25.411   52.509   16.026   74.439   24.235   35.464   21.365   58.361   26.707   45.500   22.032 12.86143 34.62197 
1 1 1  -34   28    8 o   33.045   16.535  -1.4956   15.896   2.6472   23.626  -4.9218   21.486   35.273   17.927   33.724   17.136 1.548504 24.79915 
1 1 1  -34   28    9 o   27.310   13.848 -15.6058   13.536 -38.7512   30.072  -9.7244   15.159  ?   ?    29.578   14.962 0.000000 14.96154 
1 1 1  -34   28   10 o   29.901   14.937   0.0992   12.733   11.624   25.523  -3.7198   14.692  ?   ?    29.465   14.889 0.000000 14.88865 
1 1 1  -34   28   11 o   30.178   15.108   6.7810   13.345 -25.6146   26.749   17.517   15.399  ?   ?    32.922   16.443 0.000000 16.44333 
1 1 1  -34   30    1 o   33.625   16.954 -17.1885   18.445 -51.4146   31.275   1.0673   22.841  ?   ?    39.493   19.770 0.000000 19.76953 
1 1 1  -34   30    2 o   30.544   15.451 -23.4734   16.194  -1.3185   22.217 -48.5877   23.654   38.609   19.352  ?   ?  0.000000 19.35226 
1 1 1  -34   30    3 o   38.112   18.653   3.3868   16.483   22.423   22.806 -17.4328   23.850   44.453   21.795   35.667   18.116 8.785809 28.34057 
1 1 1  -34   30    4 o   35.207   17.507  -3.9609   16.661   2.5079   23.342 -10.6796   23.788   38.618   19.420   36.240   18.375 2.378616 26.73492 
1 1 1  -34   30    5 o   47.799   21.829   26.371   16.081   19.277   21.738   34.945   23.898   41.792   20.642   45.643   22.364 -3.850800 30.43415 
1 1 1  -34   30    6 o  ?   ?  -37.4830   17.226 -13.6732   27.848 -52.2385   21.923  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   30    7 o   33.510   16.764  -1.2602   16.303   1.0790   24.717  -3.0617   21.691  ?   ?    34.393   17.450 0.000000 17.44967 
1 1 1  -34   30    8 o   28.355   14.244  -9.4843   12.382 -17.0537   30.359  -7.9739   13.561  ?   ?    29.535   14.846 0.000000 14.84575 
1 1 1  -34   30    9 o   28.310   14.276  -7.9005   13.113 -27.0927   28.893  -2.9220   14.716  ?   ?    30.278   15.251 0.000000 15.25067 
1 1 1  -34   30   10 o   31.420   15.573   7.3996   12.768   5.9268   24.310   7.9606   15.004  ?   ?    31.501   15.805 0.000000 15.80508 
1 1 1  -34   32    1 o   31.646   15.910 -14.7672   15.628  -4.1854   21.815 -25.9229   22.399   36.967   18.613  ?   ?  0.000000 18.61311 
1 1 1  -34   32    2 o   35.580   17.575  -1.2662   15.778  -5.9082   22.277   3.4058   22.349   36.566   18.460   38.532   19.327 -1.966442 26.72631 
1 1 1  -34   32    3 o   54.098   23.569   35.520   16.560   10.892   23.457   59.986   23.381   39.842   19.958   56.800   26.081 -16.95829 32.84069 
1 1 1  -34   32    4 o   43.718   20.561   20.069   15.948   26.724   21.706   12.261   23.509   43.630   21.364   39.447   19.791 4.182972 29.12206 
1 1 1  -34   32    5 o   38.031   18.746   9.8195   17.616   40.873   27.352 -12.1941   23.029   43.616   21.804  ?   ?  0.000000 21.80378 
1 1 1  -34   32    6 o  ?   ?  -28.7001   18.421 -59.9660   23.235   24.205   30.225  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   32    7 o   44.230   20.023   23.366   13.166 -10.1463   30.759   30.882   14.567  ?   ?    47.514   21.325 0.000000 21.32459 
1 1 1  -34   32    8 o   29.653   14.834  -3.7189   12.763 -37.4098   28.829   4.4941   14.234  ?   ?    32.726   16.258 0.000000 16.25780 
1 1 1  -34   32    9 o  ?   ?  -18.8032   12.207 -23.0244   26.431 -17.6586   13.763  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   34    1 o   39.313   18.978   10.895   15.566   22.716   21.992  -0.9743   22.036   42.255   20.850   36.534   18.434 5.720814 27.83013 
1 1 1  -34   34    2 o   53.115   23.235   35.568   16.240   35.058   23.076   36.069   22.859   45.257   22.133   45.720   22.287 -0.4633141 31.40980 
1 1 1  -34   34    3 o   64.350   25.247   49.499   16.403   28.144   23.555   69.606   22.856   42.436   21.053   59.821   26.789 -17.38517 34.07170 
1 1 1  -34   34    4 o   40.513   19.425   16.419   15.662   35.035   21.726  -3.7221   22.598   44.498   21.699   35.063   17.791 9.435364 28.06057 
1 1 1  -34   34    5 o   45.370   21.230   29.581   16.637   29.322   25.951   29.761   21.677   40.014   20.167   41.655   20.581 -1.641270 28.81425 
1 1 1  -34   34    6 o   32.323   15.928   1.1988   12.689   52.927   28.218 -11.9107   14.206   42.023   21.160   29.075   14.686 12.94819 25.75691 
1 1 1  -34   34    7 o   28.848   14.507  -7.4219   13.034 -31.1854   27.453  -0.5063   14.810  ?   ?    31.515   15.797 0.000000 15.79719 
1 1 1  -34   34    8 o  ?   ?  -21.1423   13.806 -22.6049   27.343 -20.6419   15.994  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   34    9 o   31.222   15.538   8.4358   13.242   30.829   27.609   1.7451   15.091  ?   ?    29.467   14.908 0.000000 14.90775 
1 1 1  -34   36    1 o  ?   ?  -33.2102   17.958 -20.5134   22.478 -55.6098   29.856  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   36    2 o   42.742   20.726   26.627   19.076   25.495   23.285   28.937   33.263   40.619   20.277  ?   ?  0.000000 20.27724 
1 1 1  -34   36    3 o  ?   ?  -27.1589   15.169 -25.2369   21.713 -28.9912   21.201  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   36    4 o   31.548   15.929  -7.9681   16.626  -4.8220   25.495 -10.2959   21.930  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   36    5 o   46.626   20.400   25.466   12.524   62.878   26.735   14.948   14.176   44.660   22.202   38.054   18.307 6.605576 28.77629 
1 1 1  -34   36    6 o   36.838   17.542   13.242   12.310   13.146   24.017   13.276   14.337  ?   ?    36.138   17.624 0.000000 17.62350 
1 1 1  -34   36    7 o  ?   ?  -20.2850   16.410  -7.8780   24.572 -30.2734   22.047  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   36    8 o  ?   ?  -15.1428   13.134 -53.1707   26.007  -2.1244   15.217  ?   ?    28.967   14.688 0.000000 14.68796 
1 1 1  -34   38    1 o  ?   ?  -21.4991   15.648  -1.7802   22.043 -41.5351   22.219   34.014   17.290  ?   ?  0.000000 17.28996 
1 1 1  -34   38    2 o  ?   ?  -23.7460   17.984 -12.0566   22.179 -46.1854   30.729  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   38    3 f   39.968   19.436   22.536   17.091   27.293   21.099   13.459   29.147   39.549   19.671  ?   ?  0.000000 19.67146 
1 1 1  -34   38    4 o   32.549   16.517  -2.1079   19.502   29.824   26.321 -40.9707   29.037   37.639   19.109  ?   ?  0.000000 19.10936 
1 1 1  -34   38    5 f   27.609   13.925  -9.9611   12.512 -12.4293   26.595  -9.2596   14.180  ?   ?    28.743   14.533 0.000000 14.53280 
1 1 1  -34   38    6 o   28.021   14.111  -6.2610   12.566  -9.0195   26.342  -5.4483   14.298  ?   ?    28.996   14.655 0.000000 14.65482 
1 1 1  -34   38    7 o  ?   ?  -14.1795   14.086  -7.5366   26.309 -16.8490   16.678  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   40    1 o   31.553   15.813  -0.8362   14.805   1.8755   21.460  -3.2988   20.451  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   40    2 o   36.342   17.740   13.866   14.622   9.3060   21.121   18.063   20.262   34.367   17.413   36.239   18.207 -1.872395 25.19347 
1 1 1  -34   40    3 o   30.935   15.660  -3.8359   16.815   24.268   26.069 -23.8596   22.005  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   40    4 o   36.406   17.679   16.240   14.012   72.439   26.425  -5.7432   16.527   43.032   21.500   29.986   15.215 13.04678 26.33922 
1 1 1  -34   40    5 o  ?   ?  -15.3563   13.880 -26.5902   24.529 -10.0649   16.834  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   40    6 o   30.521   15.339   5.3555   14.451   1.9810   24.138   7.2409   18.042  ?   ?    30.986   15.740 0.000000 15.74012 
1 1 1  -34   42    1 o   37.214   18.005   19.186   14.197   3.7068   20.077   34.668   20.078  ?   ?    38.617   19.205 0.000000 19.20509 
1 1 1  -34   42    2 o  ?   ?  -27.2279   11.684 -14.1463   25.979 -30.5445   13.081  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   42    3 o   35.778   17.732   21.060   16.552   25.215   26.846   18.513   21.023  ?   ?    33.851   17.175 0.000000 17.17482 
1 1 1  -34   42    4 o   37.675   17.962   21.595   12.985   30.224   26.002   18.728   14.988  ?   ?    34.924   17.229 0.000000 17.22881 
1 1 1  -34   42    5 o   29.371   14.694   3.5150   12.528   22.146   24.312  -3.2205   14.618  ?   ?    28.071   14.251 0.000000 14.25058 
1 1 1  -34   44    1 o   36.973   17.575   19.929   12.246   10.498   30.790   21.701   13.347  ?   ?    36.788   17.714 0.000000 17.71372 
1 1 1  -34   44    2 o   30.628   15.470   6.6383   15.751   14.829   27.595   2.6802   19.183  ?   ?   ?   ?  0.000000      ? 
1 1 1  -34   44    3 o   28.070   14.104  -0.1150   12.171   1.8932   26.520  -0.6508   13.698  ?   ?    28.301   14.307 0.000000 14.30704 
1 1 1  -33    1    1 o   93.587   22.791   40.675   14.625   44.625   20.437   36.529   20.938   89.449   28.938   79.926   29.142 9.523529 41.06953 
1 1 1  -33    1    2 o   62.804   23.899   18.467   14.379   19.420   20.366   17.519   20.303   64.014   26.962   62.531   26.653 1.483120 37.91246 
1 1 1  -33    1    3 o   57.465   23.531   13.943   14.906   12.709   21.372   15.111   20.802   58.842   26.158   60.245   26.327 -1.402836 37.11237 
1 1 1  -33    1    4 o   82.743   25.463   36.237   16.008   38.086   22.556   34.361   22.723   77.102   29.784   73.686   29.456 3.416199 41.89001 
1 1 1  -33    1    5 o   61.119   27.452   19.303   24.192   19.303   24.192   0.0000   0.0000   61.119   27.452  ?   ?  0.000000 27.45206 
1 1 1  -33    1    6 o   86.224   31.829   57.130   25.091   52.098   35.511   62.146   35.457   71.895   32.679   76.687   33.910 -4.791565 47.09371 
1 1 1  -33    1    7 o   42.804   20.498  -4.9211   17.318 -27.6961   24.705   17.083   24.283   41.524   20.753   56.159   26.067 -14.63475 33.31925 
1 1 1  -33    1    8 o   45.585   21.451   3.2412   17.398   11.498   24.897  -4.6391   24.323   51.693   24.707   46.018   22.551 5.674477 33.45130 
1 1 1  -33    1    9 o   75.263   28.117   47.319   19.696   64.436   27.964   30.468   27.746   72.907   31.183   56.052   26.588 16.85479 40.97961 
1 1 1  -33    1   10 o   43.787   21.865  -2.1399   27.166  -2.1399   27.166   0.0000   0.0000   43.787   21.865  ?   ?  0.000000 21.86540 
1 1 1  -33    1   11 o   33.699   16.947 -19.6110   17.786 -10.7683   24.977 -28.7076   25.333   39.285   19.798   36.359   18.487 2.926056 27.08716 
1 1 1  -33    1   12 o  ?   ?  -33.1040   19.881 -79.0732   31.958  -4.0807   25.393  ?   ?    38.533   19.480 0.000000 19.47973 
1 1 1  -33    1   13 o  ?   ?  -31.5937   17.316  -6.0347   24.058 -59.0629   24.941   35.703   18.140  ?   ?  0.000000 18.14004 
1 1 1  -33    1   14 o  ?   ?  -24.1309   16.308   6.6337   22.492 -58.2286   23.679   34.896   17.711  ?   ?  0.000000 17.71144 
1 1 1  -33    3    1 o   69.850   24.201   23.892   14.270 -10.2380   19.415   63.994   21.045   45.831   21.881  111.680   27.426 -65.84866 35.08545 
1 1 1  -33    3    2 o   59.277   23.401   15.468   14.173   24.436   20.295   6.9305   19.801   68.035   27.611   54.909   24.733 13.12548 37.06874 
1 1 1  -33    3    3 o   77.939   24.677   30.980   14.922   21.776   21.063   40.254   21.143   65.034   27.407   81.899   29.364 -16.86504 40.16716 
1 1 1  -33    3    4 o   50.755   22.463   6.6176   15.594   18.181   21.668  -5.8063   22.459   61.446   26.860   49.224   23.510 12.22131 35.69611 
1 1 1  -33    3    5 o   45.607   21.381  -2.2020   17.007 -34.0452   23.206   34.750   24.998   40.419   20.187   70.647   29.820 -30.22842 36.01035 
1 1 1  -33    3    6 o   38.590   19.470 -45.2315   24.564 -47.8537   32.929 -41.9415   36.884   44.104   22.286   47.131   23.789 -3.026493 32.59737 
1 1 1  -33    3    7 o   43.457   20.734  -3.4728   17.373 -14.4259   25.471   6.0562   23.758   45.238   22.343   51.114   24.348 -5.875771 33.04636 
1 1 1  -33    3    8 o   46.705   21.789   5.5636   17.309 -21.1297   24.775   31.015   24.192   41.845   20.894   60.736   27.350 -18.89104 34.41766 
1 1 1  -33    3    9 o   37.261   18.534 -17.6441   18.730 -39.3414   26.890   2.8012   26.103   38.363   19.460   46.842   23.036 -8.479080 30.15562 
1 1 1  -33    3   10 o   39.653   19.524  -5.7878   18.940 -40.4412   26.238   31.919   27.370  ?   ?    53.120   25.526 0.000000 25.52556 
1 1 1  -33    3   11 o   61.460   25.559   38.852   17.952   57.312   25.505   20.727   25.273   61.078   27.736   46.741   22.922 14.33682 35.98228 
1 1 1  -33    3   12 o   38.720   19.199   2.6788   19.489   27.205   31.043 -13.2778   25.039   44.090   22.200   36.823   18.689 7.267036 29.01924 
1 1 1  -33    3   13 o   47.257   22.333   33.612   19.231   40.607   23.207   18.278   34.360   46.569   22.646  ?   ?  0.000000 22.64611 
1 1 1  -33    3   14 o  ?   ?  -18.6119   15.698 -12.7433   22.204 -24.4768   22.197  ?   ?   ?   ?  0.000000      ? 
1 1 1  -33    5    1 o   50.375   21.996   5.9533   14.493  -3.0037   20.429   15.029   20.564   50.006   23.439   60.781   26.374 -10.77518 35.28411 
1 1 1  -33    5    2 o   43.020   20.070  -4.5447   14.687   6.6012   20.618 -16.0265   20.926   55.025   24.969   44.759   21.705 10.26641 33.08389 
1 1 1  -33    5    3 o   58.501   23.768   15.186   15.057   29.129   21.278   1.2019   21.310   70.774   28.429   52.055   24.248 18.71984 37.36547 
1 1 1  -33    5    4 o  103.420   23.458   52.044   16.405   65.704   22.963   37.806   23.444  105.170   30.049   75.622   30.019 29.54807 42.47451 
1 1 1  -33    5    5 o   75.445   27.661   35.128   18.901   38.327   22.048   26.259   36.709   75.317   29.348   63.886   30.386 11.43104 42.24476 
1 1 1  -33    5    6 o   55.523   25.934   12.203   24.642   15.932   32.260   6.9805   38.183   58.173   27.890   56.574   27.830 1.598885 39.39983 
1 1 1  -33    5    7 o   36.108   18.104 -31.2734   19.513 -13.1366   34.188 -40.0364   23.764   49.308   24.608   38.050   19.192 11.25766 31.20682 
1 1 1  -33    5    8 o   37.864   18.678 -15.5105   17.605 -31.0958   25.737  -1.8051   24.135   40.227   20.250   46.572   22.746 -6.345409 30.45387 
1 1 1  -33    5    9 o   41.084   20.198  -7.5921   20.010  -8.8416   25.295  -5.5024   32.712   43.371   21.567   46.378   23.279 -3.007038 31.73376 
1 1 1  -33    5   10 o   67.469   26.875   42.739   18.851   33.869   26.196   52.264   27.147   54.056   25.698   61.320   28.137 -7.264694 38.10571 
1 1 1  -33    5   11 o   34.986   17.687 -22.6336   20.951 -25.8545   24.924 -14.8780   38.676   36.451   18.515  ?   ?  0.000000 18.51470 
1 1 1  -33    5   12 o   38.606   18.899   4.4791   16.950   16.372   23.211  -9.1104   24.811   42.593   21.090   37.321   18.906 5.271988 28.32367 
1 1 1  -33    5   13 o   44.738   21.453   28.294   19.113   13.799   22.846   62.098   34.890   39.120   19.611   44.533   22.545 -5.412769 29.88049 
1 1 1  -33    5   14 o   31.124   15.683  -5.0827   15.650   16.246   23.125 -23.1057   21.258   36.287   18.368  ?   ?  0.000000 18.36841 
1 1 1  -33    7    1 o   73.214   24.581   27.036   14.700   24.828   20.326   29.457   21.283   68.121   27.637   71.927   28.587 -3.805656 39.76158 
1 1 1  -33    7    2 o   95.182   23.351   43.369   15.267   45.809   21.242   40.762   21.958   87.967   29.549   81.701   29.835 6.266708 41.99113 
1 1 1  -33    7    3 o   50.316   22.211   6.1679   15.149   5.2599   20.908   7.1715   21.981   53.659   24.647   55.287   25.350 -1.628658 35.35702 
1 1 1  -33    7    4 o  125.307   18.915   68.563   15.894   82.426   21.998   53.422   22.990  126.609   25.975   90.648   30.739 35.96167 40.24378 
1 1 1  -33    7    5 o   76.102   27.826   36.389   19.109   51.631   22.751  -0.1097   35.207   86.762   30.529   55.605   27.224 31.15646 40.90445 
1 1 1  -33    7    6 o   63.998   26.779   26.404   19.882   82.488   31.955  -9.0168   25.396   92.735   35.547   47.636   23.280 45.09941 42.49194 
1 1 1  -33    7    7 o   47.745   22.501   3.6269   19.277 -31.3122   33.238   21.336   23.663   45.354   22.854   57.574   26.363 -12.22019 34.88955 
1 1 1  -33    7    8 o   42.214   20.326  -3.3845   17.571 -34.1077   25.412   24.757   24.321   39.276   19.815   56.739   26.249 -17.46288 32.88771 
1 1 1  -33    7    9 o   60.940   25.343   29.784   17.651   19.529   24.936   40.084   24.989   51.673   24.706   61.018   27.607 -9.344963 37.04788 
1 1 1  -33    7   10 o   47.353   22.091   14.342   17.793   4.3232   24.797   24.976   25.547   44.322   21.920   50.626   24.408 -6.303448 32.80596 
1 1 1  -33    7   11 o   41.001   20.174   3.8274   20.105 -12.7366   31.329   15.426   26.216  ?   ?    44.723   22.192 0.000000 22.19156 
1 1 1  -33    7   12 o   44.828   21.154   19.420   17.139  -6.9016   22.973   52.459   25.738   37.038   18.704   52.476   25.092 -15.43797 31.29646 
1 1 1  -33    7   13 o  ?   ?  -38.2404   18.636 -52.1631   23.076 -12.1317   31.600  ?   ?   ?   ?  0.000000      ? 
1 1 1  -33    7   14 o   29.005   14.737 -14.4575   15.867   25.923   23.217 -49.8486   21.735   37.787   19.048  ?   ?  0.000000 19.04789 
1 1 1  -33    9    1 o   55.782   23.308   12.248   15.031   17.917   20.839   6.0997   21.702   62.107   26.749   55.009   25.210 7.098324 36.75643 
1 1 1  -33    9    2 o   43.581   20.358  -4.0488   15.188  -1.6103   21.023  -6.7110   21.966   50.382   23.667   48.869   23.316 1.512905 33.22315 
1 1 1  -33    9    3 o   44.868   20.877  -2.3631   15.728  -1.1051   21.642  -3.7713   22.898   50.616   23.850   50.334   23.957 0.2818947 33.80474 
1 1 1  -33    9    4 o   33.372   16.623 -27.3054   15.299 -45.7004   21.180  -7.2377   22.122   35.923   18.119   47.730   22.939 -11.80643 29.23180 
1 1 1  -33    9    5 o   58.676   25.238   17.831   18.502   3.4315   21.736   55.707   35.253   51.103   24.025   74.664   33.365 -23.56102 41.11457 
1 1 1  -33    9    6 o   48.573   22.704   3.7126   18.938   10.576   31.921  -0.0149   23.525   55.525   26.897   49.352   23.702 6.172569 35.84998 
1 1 1  -33    9    7 o   50.000   23.138   8.9090   18.920 -10.1317   31.555   19.596   23.640   48.348   24.050   56.205   25.958 -7.856964 35.38673 
1 1 1  -33    9    8 o   36.048   17.925 -19.9970   17.468   19.447   24.649 -59.7882   24.757   53.789   25.378  ?   ?  0.000000 25.37820 
1 1 1  -33    9    9 o   54.167   23.970   21.925   17.748   18.025   25.150   25.794   25.049   50.657   24.373   53.655   25.396 -2.998024 35.19960 
1 1 1  -33    9   10 o   41.249   20.010   1.7986   17.822   1.3268   24.429   2.3354   26.057   43.131   21.405   43.723   21.766 -0.5921326 30.52750 
1 1 1  -33    9   11 o   37.307   18.639  -7.9846   19.857   19.000   32.042 -24.8086   25.301   44.791   22.553   36.388   18.499 8.402760 29.16986 
1 1 1  -33    9   12 o   37.783   18.685   2.6227   18.008   39.359   25.143 -36.0721   25.805   47.919   23.362  ?   ?  0.000000 23.36222 
1 1 1  -33    9   13 o   29.666   15.068 -20.5218   16.502 -16.6591   23.864 -24.0617   22.845  ?   ?   ?   ?  0.000000      ? 
1 1 1  -33    9   14 o  ?   ?   -7.2485   22.625  -7.2485   22.625   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -33   11    1 o   44.472   20.574  -1.9321   14.942   10.557   20.452 -16.2276   21.881   56.498   25.318   45.071   21.934 11.42687 33.49812 
1 1 1  -33   11    2 o   85.559   24.934   37.931   15.670   37.068   21.063   38.999   23.449   77.359   29.042   77.050   30.199 0.3087158 41.89794 
1 1 1  -33   11    3 o   43.279   20.340  -4.3734   15.555 -14.9262   21.324   7.6273   22.740   44.481   21.648   55.008   25.424 -10.52738 33.39223 
1 1 1  -33   11    4 o   34.364   17.083 -25.8943   15.818 -17.2816   21.625 -35.8043   23.197   43.453   21.288   39.867   19.952 3.586784 29.17601 
1 1 1  -33   11    5 o   51.991   23.709   8.5762   18.887   13.121   22.328  -2.8541   35.411   55.672   25.535   53.917   26.576 1.755714 36.85548 
1 1 1  -33   11    6 o   51.440   23.502   9.8242   18.669   39.390   31.752  -5.7967   23.080   65.145   30.086   46.641   22.659 18.50390 37.66396 
1 1 1  -33   11    7 o   36.844   18.359 -23.5606   18.727  -2.4859   31.358 -35.2440   23.348   49.532   24.523   38.106   19.195 11.42667 31.14271 
1 1 1  -33   11    8 o   57.041   24.475   22.909   17.326   53.323   24.616  -6.9534   24.391   72.449   30.012   44.244   21.855 28.20462 37.12593 
1 1 1  -33   11    9 o   41.821   20.128   0.7105   17.186 -12.9712   23.839   15.518   24.800   40.903   20.434   49.249   23.820 -8.346008 31.38347 
1 1 1  -33   11   10 o   42.715   20.419   6.6606   17.019   12.111   22.650  -0.4057   25.790   45.590   22.215   42.629   21.290 2.960918 30.76959 
1 1 1  -33   11   11 o   37.091   18.377  -4.2627   17.725 -26.0752   24.736   18.759   25.413  ?   ?    44.767   22.149 0.000000 22.14873 
1 1 1  -33   11   12 o   37.244   18.425   2.2248   17.573   24.306   25.253 -18.5088   24.470   43.178   21.484  ?   ?  0.000000 21.48369 
1 1 1  -33   11   13 o  ?   ?  -22.4579   16.148 -15.7472   22.922 -29.0691   22.751  ?   ?   ?   ?  0.000000      ? 
1 1 1  -33   11   14 o  ?   ?   -8.7143   21.537  -8.7143   21.537   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -33   13    1 o   50.456   23.037   4.0015   17.898   1.3078   28.910   5.6756   22.791   55.383   26.512   54.325   25.229 1.058487 36.59785 
1 1 1  -33   13    2 o   67.854   25.289   25.059   15.914   22.406   21.843   28.061   23.234   63.666   27.403   67.464   28.627 -3.797569 39.62846 
1 1 1  -33   13    3 o   50.635   22.414   7.5696   15.533 -14.2367   20.877   34.606   23.247   43.961   21.401   71.508   29.346 -27.54662 36.32080 
1 1 1  -33   13    4 o   47.055   22.032   0.0591   17.966   5.5547   20.975 -15.0780   34.811   51.768   24.095   51.554   25.580 0.2137489 35.14107 
1 1 1  -33   13    5 o   64.052   27.704   28.168   22.546  -2.2893   29.727   69.415   34.593   51.540   25.188   79.572   34.366 -28.03154 42.60828 
1 1 1  -33   13    6 o   50.853   23.259   9.8818   18.347   64.390   30.064 -22.4630   23.159   78.724   32.935   41.401   20.595 37.32310 38.84409 
1 1 1  -33   13    7 o   45.725   21.767   2.0504   18.921 -18.0000   31.121   13.808   23.831   45.633   22.877   52.333   24.771 -6.700378 33.71889 
1 1 1  -33   13    8 o   59.114   24.610   25.604   16.670   24.809   23.200   26.452   23.967   55.167   25.562   55.722   25.876 -0.5551262 36.37257 
1 1 1  -33   13    9 o   65.425   25.638   35.538   16.899   14.138   22.864   61.304   25.088   48.140   23.181   71.242   29.961 -23.10199 37.88161 
1 1 1  -33   13   10 o   40.500   19.903   0.0945   19.374 -20.4098   29.592   15.475   25.630   39.647   20.142   46.039   22.677 -6.391796 30.33050 
1 1 1  -33   13   11 o   46.743   21.855   20.563   17.570   28.488   24.352   11.957   25.376   47.207   23.010   42.549   21.229 4.657791 31.30703 
1 1 1  -33   13   12 o   36.548   18.104   1.4846   17.168   22.577   25.067 -17.1519   23.562   42.242   21.080  ?   ?  0.000000 21.07964 
1 1 1  -33   13   13 o  ?   ?  -35.7816   16.218 -22.7731   22.350 -50.2509   23.571  ?   ?   ?   ?  0.000000      ? 
1 1 1  -33   13   14 o  ?   ?  -19.3174   16.623   30.551   30.009 -41.3944   19.967  ?   ?   ?   ?  0.000000      ? 
1 1 1  -33   15    1 o   42.654   20.206  -5.9002   15.919   11.993   21.576 -27.2771   23.583   56.474   25.593   42.524   21.091 13.94970 33.16388 
1 1 1  -33   15    2 o   56.043   23.618   14.177   15.642   1.4526   20.947   30.215   23.517   50.360   23.647   67.854   28.797 -17.49453 37.26164 
1 1 1  -33   15    3 o   38.905   18.869 -12.8892   15.829   12.226   21.585 -42.1094   23.282   55.701   25.380   38.369   19.307 17.33179 31.88920 
1 1 1  -33   15    4 o   69.552   27.316   31.664   19.220   48.240   22.895  -7.8927   35.369   80.932   30.299   52.569   26.030 28.36343 39.94521 
1 1 1  -33   15    5 o   70.899   27.240   34.253   18.792   58.000   30.816   20.195   23.711   75.465   32.515   58.058   26.511 17.40711 41.95259 
1 1 1  -33   15    6 o   49.257   23.339   5.9265   21.262   11.820   29.726  -0.2461   30.423   53.406   25.892   50.189   24.719 3.216980 35.79683 
1 1 1  -33   15    7 o   36.552   18.078 -16.6846   16.873  -0.4490   24.855 -30.5620   22.979   46.827   22.915   38.158   19.199 8.668732 29.89462 
1 1 1  -33   15    8 o   52.980   25.017   22.338   24.044   0.0000   0.0000   22.338   24.044  ?   ?    52.980   25.017 0.000000 25.01750 
1 1 1  -33   15    9 o   47.998   21.910   14.709   16.179  -5.9754   21.600   41.144   24.419   40.789   20.223   58.543   26.797 -17.75451 33.57152 
1 1 1  -33   15   10 o   55.668   24.891   34.301   19.653   16.010   31.604   45.834   25.096   45.302   22.757   56.166   26.214 -10.86423 34.71374 
1 1 1  -33   15   11 f   42.882   20.644   14.044   18.106  -0.0729   25.814   27.713   25.402   39.549   19.954   45.862   22.587 -6.313156 30.13902 
1 1 1  -33   15   12 o   55.194   23.985   39.755   17.060   44.228   24.550   35.578   23.724   47.606   23.182   45.443   22.270 2.163010 32.14593 
1 1 1  -33   15   13 o   28.014   14.232 -19.4570   14.789 -25.8000   30.228 -17.4610   16.957  ?   ?    29.708   15.107 0.000000 15.10702 
1 1 1  -33   17    1 o   51.395   22.757   8.8289   16.022   22.351   22.053  -6.2895   23.318   62.049   27.112   48.263   23.281 13.78658 35.73581 
1 1 1  -33   17    2 o  109.556   26.179   65.308   19.579   23.249   33.566   86.997   24.105   61.670   29.250  121.908   28.992 -60.23858 41.18402 
1 1 1  -33   17    3 o   77.018   28.068   39.131   19.419   55.951   32.972   30.198   24.029   75.022   32.956   65.519   28.469 9.503372 43.54943 
1 1 1  -33   17    4 f   77.673   30.577   48.501   24.137   55.512   32.160   39.459   36.524   73.493   32.406   64.403   30.537 9.090355 44.52708 
1 1 1  -33   17    5 o   45.374   21.569  -0.4698   18.447   25.668   29.848 -16.6241   23.465   58.933   27.842   43.091   21.313 15.84156 35.06319 
1 1 1  -33   17    6 o   43.842   21.044  -1.9322   18.487  -1.3249   30.627  -2.2804   23.189   49.191   24.333   46.275   22.533 2.916271 33.16421 
1 1 1  -33   17    7 o   35.532   17.573 -16.0013   15.946 -11.8312   22.060 -20.5651   23.077   41.597   20.590   40.000   20.001 1.597618 28.70515 
1 1 1  -33   17    8 o   34.182   17.064 -19.6936   16.492 -17.7782   22.357 -21.9801   24.427   39.085   19.564   39.341   19.794 -0.2562523 27.83102 
1 1 1  -33   17    9 o   44.382   21.254   8.9453   18.620   0.2233   28.555   15.397   24.559   43.667   21.895   47.063   22.977 -3.395935 31.73819 
1 1 1  -33   17   10 o   41.162   19.869   6.4856   17.053 -11.2442   24.408   23.395   23.836   38.486   19.417   47.132   22.927 -8.645416 30.04409 
1 1 1  -33   17   11 o   41.800   20.163   12.869   17.486   1.4010   24.295   25.194   25.186   39.011   19.642   44.402   21.983 -5.391361 29.47958 
1 1 1  -33   17   12 o   40.525   19.459   14.901   15.844   9.5017   21.057   21.947   24.053   38.237   19.117   40.884   20.440 -2.646809 27.98668 
1 1 1  -33   17   13 o   27.557   13.983 -17.3598   13.968  -9.1317   26.887 -20.4011   16.346  ?   ?   ?   ?  0.000000      ? 
1 1 1  -33   19    1 o   45.385   21.548  -2.9290   18.303   0.8556   31.396  -4.8774   22.527   53.462   26.074   47.573   22.933 5.888985 34.72403 
1 1 1  -33   19    2 o   45.557   22.236 -10.8805   22.962 -37.5707   31.250   20.439   33.852   44.521   22.399   59.361   28.488 -14.83974 36.23917 
1 1 1  -33   19    3 o   43.595   21.524 -17.5194   23.565 -33.1268   32.051   0.8439   34.766   45.338   22.793   53.393   26.321 -8.055645 34.81867 
1 1 1  -33   19    4 o   36.439   18.416 -43.1408   22.567 -33.1854   28.800 -58.9756   36.322   42.906   21.575  ?   ?  0.000000 21.57538 
1 1 1  -33   19    5 o   54.848   25.147   17.757   21.625   2.4141   30.397   33.478   30.770   50.559   24.863   60.394   28.452 -9.835136 37.78497 
1 1 1  -33   19    6 o   56.119   24.688   21.478   18.562   32.317   28.903   13.869   24.216   58.387   27.528   51.640   24.594 6.747543 36.91402 
1 1 1  -33   19    7 o   42.383   20.086   1.9837   15.765   5.9869   21.252  -2.9157   23.510   46.437   22.358   44.226   21.771 2.211212 31.20677 
1 1 1  -33   19    8 o   42.251   20.182   3.4054   16.558  -5.7228   22.091   15.110   25.015   41.438   20.528   48.327   23.504 -6.889275 31.20615 
1 1 1  -33   19    9 o   43.775   20.980   9.3032   18.226   7.1951   28.453   10.770   23.734   44.280   22.151   44.791   22.016 -0.5118370 31.23061 
1 1 1  -33   19   10 o   36.842   18.185  -3.3069   16.777   10.080   23.468 -17.2997   23.994   42.393   21.029   36.698   18.591 5.695053 28.06804 
1 1 1  -33   19   11 o   36.881   18.209   1.5031   16.862 -24.5746   22.754   33.266   25.112  ?   ?    45.664   22.484 0.000000 22.48358 
1 1 1  -33   19   12 o   27.818   14.108 -20.8055   14.080   12.776   26.370 -34.1967   16.652   38.070   19.307  ?   ?  0.000000 19.30690 
1 1 1  -33   19   13 o   28.446   14.354 -10.2214   13.378 -31.0195   25.815  -2.5851   15.642  ?   ?    31.398   15.803 0.000000 15.80274 
1 1 1  -33   21    1 o   44.682   21.308  -3.0582   18.301  -2.1585   31.286  -3.5261   22.564   51.519   25.313   47.314   22.843 4.205334 34.09616 
1 1 1  -33   21    2 o   84.697   28.393   48.376   19.613   45.000   32.832   50.249   24.457   66.954   30.803   77.685   30.717 -10.73045 43.50107 
1 1 1  -33   21    3 o   57.431   27.915   21.629   35.153   0.0000   0.0000   21.629   35.153  ?   ?    57.431   27.915 0.000000 27.91525 
1 1 1  -33   21    4 f   47.293   22.266   4.2766   18.791   27.693   30.899  -9.4650   23.671   58.410   27.808   44.731   21.986 13.67846 35.44982 
1 1 1  -33   21    5 o   56.211   24.820   21.142   18.927 -10.4732   31.002   39.927   23.897   46.813   23.374   65.840   28.500 -19.02700 36.85866 
1 1 1  -33   21    6 o   51.074   22.843   15.164   16.561   29.532   22.457  -1.9679   24.521   58.311   26.296   45.412   22.332 12.89847 34.49932 
1 1 1  -33   21    7 o   49.854   22.436   15.529   16.249   4.1982   21.357   31.100   25.038   44.985   21.841   55.537   26.006 -10.55222 33.96041 
1 1 1  -33   21    8 o   51.546   22.978   20.799   16.613   3.6865   22.521   41.225   24.605   43.551   21.414   57.692   26.588 -14.14059 34.13911 
1 1 1  -33   21    9 o   43.913   20.792   11.514   16.819   3.1732   23.316   20.563   24.286   41.811   20.777   46.781   22.841 -4.969971 30.87761 
1 1 1  -33   21   10 o   37.121   18.272  -0.5602   16.543   24.254   23.782 -23.8258   23.028   45.446   22.276   34.673   17.629 10.77307 28.40823 
1 1 1  -33   21   11 f   39.995   18.783   11.109   13.226   22.332   28.557   8.0448   14.924   41.367   20.886   38.381   18.542 2.985752 27.92867 
1 1 1  -33   21   12 o   33.332   16.596  -0.4192   15.172 -22.1902   29.967   7.0843   17.593  ?   ?    36.014   17.921 0.000000 17.92134 
1 1 1  -33   21   13 o   33.943   16.744   9.0113   14.153   29.946   26.299   0.4761   16.792  ?   ?    31.714   16.013 0.000000 16.01276 
1 1 1  -33   23    1 o   39.994   19.138  -5.6236   15.030 -24.2245   20.812   14.653   21.729   38.914   19.385   53.960   24.909 -15.04568 31.56335 
1 1 1  -33   23    2 o   47.338   21.623   6.6261   15.791   22.272   21.373 -12.1799   23.433   57.973   25.937   44.010   21.679 13.96350 33.80403 
1 1 1  -33   23    3 o   58.423   26.532   25.067   23.342   25.927   31.338   23.995   34.983   57.379   27.503   56.511   27.553 0.8673744 38.93053 
1 1 1  -33   23    4 o   33.374   16.735 -27.4774   16.690 -36.6158   23.195 -17.6673   24.032   37.301   18.832   42.004   20.909 -4.702618 28.13924 
1 1 1  -33   23    5 o   37.498   18.344 -10.4116   15.890  -6.6600   21.872 -14.6048   23.124   43.057   21.158   41.527   20.645 1.530476 29.56129 
1 1 1  -33   23    6 o   39.364   18.987  -3.4562   15.502 -10.6464   20.291   6.6263   24.027   40.068   19.818   46.960   22.882 -6.892582 30.27126 
1 1 1  -33   23    7 o   36.477   17.917  -8.8448   15.635 -29.5746   20.868   17.687   23.608   35.056   17.716   49.130   23.633 -14.07431 29.53601 
1 1 1  -33   23    8 o   47.486   22.277   16.914   18.517   59.951   29.288 -11.7464   23.900   59.574   27.969   39.346   19.768 20.22874 34.25012 
1 1 1  -33   23    9 o   41.824   20.047   8.8883   16.646   2.3223   23.809   15.167   23.281   40.859   20.413   44.186   21.735 -3.326653 29.81812 
1 1 1  -33   23   10 f   40.927   19.922   11.096   18.082   85.707   32.662 -21.8765   21.713   55.558   26.983   33.846   17.200 21.71278 31.99850 
1 1 1  -33   23   11 o   51.137   22.058   29.006   14.214 -10.7512   31.724   38.992   15.899  ?   ?    56.194   23.753 0.000000 23.75341 
1 1 1  -33   23   12 o   38.005   18.300   14.085   14.251   24.766   30.685   11.147   16.091  ?   ?    36.439   17.952 0.000000 17.95234 
1 1 1  -33   25    1 o   42.014   19.732   0.1040   14.597 -15.4674   19.812   18.596   21.590   39.943   19.724   54.759   25.114 -14.81575 31.93324 
1 1 1  -33   25    2 o   74.220   27.461   41.003   18.698   14.734   22.630   97.512   33.192   52.533   24.639   90.121   35.737 -37.58826 43.40697 
1 1 1  -33   25    3 o   29.879   15.158 -40.6307   16.353 -33.1682   22.060 -49.7346   24.366   36.935   18.612   35.765   18.180 1.169350 26.01781 
1 1 1  -33   25    4 o   31.494   15.872 -30.7692   16.066 -21.8047   22.074 -40.8651   23.426   39.040   19.527   36.163   18.325 2.876984 26.77867 
1 1 1  -33   25    5 o   35.195   17.446 -16.0015   16.052 -15.6058   22.161 -16.4383   23.281   39.978   19.929   40.422   20.194 -0.4440346 28.37168 
1 1 1  -33   25    6 o   59.961   24.269   27.913   15.634  -4.1944   20.744   70.127   23.786   41.512   20.439   82.237   30.864 -40.72453 37.01817 
1 1 1  -33   25    7 o   53.334   23.102   22.832   15.725   11.971   21.210   36.089   23.432   45.865   22.144   55.617   25.742 -9.751884 33.95571 
1 1 1  -33   25    8 o   34.136   17.130 -17.0757   17.664 -27.6293   30.286 -11.6352   21.745  ?   ?    37.730   18.944 0.000000 18.94370 
1 1 1  -33   25    9 o   38.251   18.623   2.8364   15.819   35.456   23.707 -23.3448   21.239   49.527   23.788   33.995   17.250 15.53126 29.38371 
1 1 1  -33   25   10 o   30.230   15.050 -10.1009   12.468 -20.1561   31.713  -8.2626   13.560  ?   ?    31.733   15.782 0.000000 15.78169 
1 1 1  -33   25   11 o   39.578   18.776   13.675   13.844 -14.6146   30.614   20.947   15.522  ?   ?    42.648   20.127 0.000000 20.12724 
1 1 1  -33   25   12 o   35.411   17.260   10.355   13.698   25.429   30.268   6.4720   15.361  ?   ?    33.932   16.862 0.000000 16.86223 
1 1 1  -33   27    1 o   28.559   14.499 -39.5375   15.151 -18.1079   20.924 -63.1561   21.967   39.352   19.576  ?   ?  0.000000 19.57607 
1 1 1  -33   27    2 o   48.587   23.335   8.3353   22.804  -6.2244   32.243   22.907   32.257   47.050   23.543   53.752   26.262 -6.702156 35.27010 
1 1 1  -33   27    3 o   38.081   18.609  -9.0035   16.218 -12.6587   22.195  -4.8159   23.756   41.157   20.422   44.105   21.745 -2.947445 29.83125 
1 1 1  -33   27    4 o   32.898   16.492 -24.0049   16.157 -37.6516   22.249  -8.7775   23.502   35.288   17.879   42.314   20.999 -7.025505 27.57908 
1 1 1  -33   27    5 o   41.834   20.244   0.2918   17.970 -33.2049   26.898   27.299   24.152   38.379   19.468   53.539   25.218 -15.15965 31.85809 
1 1 1  -33   27    6 o   49.670   22.193   17.502   15.593   0.1926   21.110   38.288   23.132   42.111   20.711   57.554   26.243 -15.44263 33.43150 
1 1 1  -33   27    7 o   31.188   15.817 -31.6967   17.698   1.2517   29.523 -50.1808   22.112   42.907   21.611  ?   ?  0.000000 21.61051 
1 1 1  -33   27    8 o   45.816   21.119   16.576   15.536   20.170   23.932   13.959   20.424   45.359   22.257   43.736   21.263 1.622719 30.78107 
1 1 1  -33   27    9 o   35.140   16.885   1.2465   11.973   9.9317   29.400  -0.4805   13.110   40.812   20.665   34.953   17.003 5.859707 26.76058 
1 1 1  -33   27   10 o   27.053   13.673 -19.4839   12.454   6.5024   27.641 -26.1026   13.950   38.201   19.413   26.985   13.721 11.21567 23.77184 
1 1 1  -33   27   11 o   43.527   19.614   20.157   12.467   17.283   27.850   20.877   13.942  ?   ?    42.479   19.729 0.000000 19.72922 
1 1 1  -33   27   12 o   28.843   14.520  -6.0161   13.247 -21.6098   28.519  -1.7265   14.958  ?   ?    30.610   15.412 0.000000 15.41231 
1 1 1  -33   29    1 o  ?   ?  -65.4610   22.672   0.0000   0.0000 -65.4610   22.672  ?   ?   ?   ?  0.000000      ? 
1 1 1  -33   29    2 o   51.263   24.229   18.324   22.652   18.324   22.652   0.0000   0.0000   51.263   24.229  ?   ?  0.000000 24.22947 
1 1 1  -33   29    3 o   60.880   24.912   29.434   16.692   37.346   22.577   19.896   24.789   60.499   26.890   51.067   24.474 9.431431 36.35955 
1 1 1  -33   29    4 o   50.460   22.722   17.636   16.694  -0.1891   22.829   38.127   24.476   43.394   21.380   58.040   26.663 -14.64531 34.17601 
1 1 1  -33   29    5 o   37.302   18.424  -8.9589   17.321   3.1866   20.431 -39.9902   32.657   42.870   20.936  ?   ?  0.000000 20.93552 
1 1 1  -33   29    6 o   30.643   15.454 -24.8203   15.379 -15.6899   21.636 -34.1441   21.864   37.323   18.759   33.943   17.251 3.380196 25.48523 
1 1 1  -33   29    7 o   33.491   16.823 -17.2364   17.253   2.3380   31.260 -25.8111   20.690   42.107   21.319   33.931   17.197 8.176041 27.39027 
1 1 1  -33   29    8 o   52.224   21.482   22.803   12.493 -10.3122   31.405   29.029   13.617  ?   ?    56.867   22.778 0.000000 22.77765 
1 1 1  -33   29    9 o   44.031   19.683   15.977   12.281   41.561   29.052   10.411   13.551   45.292   22.616   39.795   18.788 5.496365 29.40223 
1 1 1  -33   29   10 o   28.246   14.268 -16.5053   13.419 -10.1854   28.940 -18.2361   15.145  ?   ?    29.151   14.768 0.000000 14.76787 
1 1 1  -33   29   11 o   34.860   16.918   8.2364   12.780   39.493   24.673  -3.2236   14.940   40.246   20.203   31.281   15.705 8.964315 25.58935 
1 1 1  -33   31    1 o   37.359   18.465 -11.1614   17.504 -17.5739   20.902   3.8917   32.025   37.918   18.971   46.429   23.266 -8.510273 30.02043 
1 1 1  -33   31    2 o   50.352   22.457   17.305   15.887   6.9632   21.199   30.556   23.996   45.190   21.898   54.537   25.512 -9.346039 33.62144 
1 1 1  -33   31    3 o   43.360   20.546   6.4677   16.481  -3.6449   22.642   17.865   24.037   41.861   20.746   48.761   23.550 -6.899811 31.38450 
1 1 1  -33   31    4 o   44.534   20.891   9.9610   16.282   16.428   21.884   1.9413   24.369   47.552   22.843   43.209   21.433 4.343105 31.32355 
1 1 1  -33   31    5 o   44.778   20.873   11.983   15.834   6.4225   21.515   18.553   23.386   43.028   21.111   47.058   22.849 -4.029331 31.10868 
1 1 1  -33   31    6 f   36.266   18.081  -9.3974   18.268   18.566   29.271 -27.2380   23.380   45.105   22.549   35.248   17.906 9.857567 28.79429 
1 1 1  -33   31    7 o   36.222   17.469   0.8882   13.109   11.322   29.621  -1.6528   14.618   42.168   21.288   35.936   17.583 6.231750 27.61058 
1 1 1  -33   31    8 o   32.362   15.930  -5.1285   12.580 -71.2683   30.093   8.8772   13.848  ?   ?    39.437   18.729 0.000000 18.72937 
1 1 1  -33   31    9 o   27.282   13.728 -15.6818   11.766   40.420   29.802 -26.0421   12.807   43.080   21.699   25.789   13.116 17.29118 25.35531 
1 1 1  -33   31   10 o   27.677   13.926 -12.4389   12.095  -4.8434   24.165 -14.9777   13.971  ?   ?    28.456   14.391 0.000000 14.39093 
1 1 1  -33   31   11 f   33.349   16.366   7.4511   12.953   1.4176   26.527   9.3400   14.842  ?   ?    33.961   16.824 0.000000 16.82425 
1 1 1  -33   33    1 o   41.431   20.090   2.2182   17.923   23.982   21.877 -42.2000   31.254   50.781   23.944  ?   ?  0.000000 23.94390 
1 1 1  -33   33    2 o   42.451   20.115   6.5176   15.797   15.889   21.633  -4.1884   23.122   47.145   22.664   41.139   20.484 6.005379 30.54894 
1 1 1  -33   33    3 o   34.898   17.338 -12.2460   16.195 -12.6262   22.588 -11.8439   23.233   38.592   19.367   39.040   19.599 -0.4482880 27.55352 
1 1 1  -33   33    4 o   55.831   23.769   28.509   16.111   43.116   21.729   10.674   24.011   58.819   26.246   44.146   21.784 14.67335 34.10828 
1 1 1  -33   33    5 o   31.479   15.811 -18.7252   15.227 -17.3156   21.759 -20.0778   21.315   36.120   18.236   35.354   17.870 0.7653046 25.53231 
1 1 1  -33   33    6 o   32.559   16.452 -20.8231   17.941 -32.0341   28.920 -13.8089   22.875  ?   ?    36.504   18.457 0.000000 18.45680 
1 1 1  -33   33    7 o   40.852   19.093   10.915   13.387 -36.7024   29.048   23.755   15.084  ?   ?    48.576   21.757 0.000000 21.75719 
1 1 1  -33   33    8 o   49.819   21.099   23.682   12.583   14.488   28.666   25.876   14.005   39.639   20.106   49.516   21.621 -9.877174 29.52463 
1 1 1  -33   33    9 o   28.857   14.533 -13.0831   13.349 -39.3219   26.973  -4.5718   15.362  ?   ?    32.375   16.207 0.000000 16.20747 
1 1 1  -33   33   10 o   29.147   14.603  -6.2863   12.590  -1.0000   25.107  -8.0622   14.552  ?   ?    29.702   14.986 0.000000 14.98579 
1 1 1  -33   35    1 o   54.804   23.494   27.138   15.939   85.409   22.238 -34.4293   22.858   94.653   30.141  ?   ?  0.000000 30.14119 
1 1 1  -33   35    2 o   82.650   25.987   54.309   16.574   67.548   23.333   40.828   23.546   72.137   29.479   54.998   25.575 17.13893 39.02697 
1 1 1  -33   35    3 o   37.792   18.390  -0.2197   15.366 -25.6519   21.009   29.035   22.533   34.243   17.352   49.747   23.702 -15.50396 29.37460 
1 1 1  -33   35    4 o   55.176   23.381   29.089   15.465   27.849   21.330   30.463   22.456   48.921   23.237   49.404   23.572 -0.4827385 33.09964 
1 1 1  -33   35    5 o   48.318   22.243   23.932   17.155   42.522   28.813   13.723   21.352   48.622   23.968   42.611   20.931 6.011276 31.82094 
1 1 1  -33   35    6 o   39.316   18.507   8.3959   12.970   1.9683   29.038   9.9976   14.496   39.331   19.978   40.270   19.136 -0.9390182 27.66450 
1 1 1  -33   35    7 o   45.328   20.297   19.066   13.118   40.327   27.827   12.992   14.874   44.855   22.355   40.586   19.315 4.268848 29.54357 
1 1 1  -33   35    8 o   51.318   21.497   27.719   12.832   42.190   27.772   23.791   14.468   42.915   21.528   45.386   20.718 -2.470692 29.87827 
1 1 1  -33   35    9 o   38.355   18.122   14.028   12.648   56.585   27.207   2.2948   14.286   43.107   21.578   33.077   16.408 10.02951 27.10788 
1 1 1  -33   37    1 o   54.643   23.528   29.857   16.114   31.932   22.802   27.786   22.774   49.588   23.685   47.999   23.118 1.588795 33.09772 
1 1 1  -33   37    2 o   46.020   21.333   18.031   16.186   25.254   22.486   10.264   23.318   46.903   22.684   42.175   20.927 4.728039 30.86294 
1 1 1  -33   37    3 o   46.472   21.248   18.866   15.293   0.9185   21.465   37.369   21.795   39.131   19.524   51.698   24.226 -12.56688 31.11380 
1 1 1  -33   37    4 o   34.502   16.672  -0.4699   12.082  -0.1406   28.028  -0.5450   13.390   39.423   19.984   35.260   17.159 4.163521 26.34021 
1 1 1  -33   37    5 o   31.242   15.797 -19.4359   16.772 -16.1561   27.137 -21.4634   21.335  ?   ?    33.414   16.988 0.000000 16.98753 
1 1 1  -33   37    6 o   28.602   14.365 -14.6321   12.561 -18.1122   27.235 -13.6919   14.156  ?   ?    30.222   15.188 0.000000 15.18816 
1 1 1  -33   37    7 o   35.428   17.048   5.3319   12.316  -8.3902   24.278   10.087   14.292  ?   ?    37.881   18.262 0.000000 18.26195 
1 1 1  -33   37    8 o   49.141   21.536   30.974   14.009   63.463   27.606   19.706   16.258   45.010   22.406   39.829   19.269 5.180717 29.55220 
1 1 1  -33   37    9 o   31.946   15.801   3.4204   12.904   19.541   27.825  -0.9968   14.565  ?   ?    30.956   15.537 0.000000 15.53737 
1 1 1  -33   39    1 o   43.242   20.867   16.974   18.773   18.491   22.911   13.873   32.746   42.994   21.227   41.472   21.080 1.521393 29.91576 
1 1 1  -33   39    2 o   46.056   21.197   20.433   15.568   19.388   21.307   21.630   22.802   43.342   21.211   43.698   21.498 -0.3559761 30.20062 
1 1 1  -33   39    3 o   30.592   15.203  -9.6218   12.486 -46.0585   25.587   1.7682   14.306  ?   ?    36.148   17.623 0.000000 17.62315 
1 1 1  -33   39    4 o   43.121   20.344   17.693   15.837  -6.6732   27.654   29.584   19.318  ?   ?    46.860   22.216 0.000000 22.21552 
1 1 1  -33   39    5 o   63.506   22.746   35.958   12.683   36.561   28.300   35.807   14.188   43.171   21.667   58.131   23.262 -14.95957 31.78966 
1 1 1  -33   39    6 o   33.449   16.292   1.6205   12.147   21.659   24.464  -4.9359   13.994   39.695   19.951   31.865   15.877 7.829853 25.49761 
1 1 1  -33   39    7 o   26.117   13.214 -17.1434   11.873   12.054   24.765 -25.8570   13.529   36.337   18.456  ?   ?  0.000000 18.45650 
1 1 1  -33   39    8 o   34.366   16.977   9.1138   14.733   26.590   25.972   0.8217   17.890  ?   ?    32.345   16.351 0.000000 16.35116 
1 1 1  -33   41    1 o   40.507   19.724   13.731   17.764   20.673   22.257   1.5522   29.482   41.920   20.738  ?   ?  0.000000 20.73797 
1 1 1  -33   41    2 o   32.403   16.046  -4.9743   13.445 -16.4244   26.092  -0.8343   15.689  ?   ?    34.931   17.304 0.000000 17.30356 
1 1 1  -33   41    3 o   59.810   23.456   37.335   14.152   23.107   26.465   43.033   16.748   40.932   20.595   57.768   24.397 -16.83535 31.92789 
1 1 1  -33   41    4 o   38.834   18.849   12.111   15.878   5.7561   26.810   15.545   19.705   37.270   18.957   39.480   19.528 -2.209652 27.21581 
1 1 1  -33   41    5 o   43.970   19.779   19.962   12.612   89.122   25.957  -1.4131   14.430   58.289   27.019   32.875   16.338 25.41436 31.57455 
1 1 1  -33   41    6 o   31.319   15.437  -0.5831   11.945 -17.6488   24.486   4.7467   13.684  ?   ?    33.962   16.698 0.000000 16.69779 
1 1 1  -33   41    7 f   34.053   16.689   8.1934   13.329   12.293   23.726   6.3031   16.112  ?   ?    33.451   16.724 0.000000 16.72420 
1 1 1  -33   43    1 o   30.037   14.912  -6.4109   11.897   42.361   27.461 -17.6792   13.199   43.064   21.575   27.756   14.033 15.30757 25.73707 
1 1 1  -33   43    2 o   39.095   18.276   12.265   12.277   24.551   25.729   8.6432   13.970   39.804   20.063   36.899   17.854 2.904259 26.85714 
1 1 1  -33   43    3 o   34.524   17.445  -0.6396   20.183   26.605   25.658 -44.8634   32.690   39.640   19.987  ?   ?  0.000000 19.98736 
1 1 1  -33   43    4 o   34.910   17.070   6.3806   13.714   16.561   25.130   2.0629   16.366   37.125   18.830   33.858   16.917 3.266201 25.31296 
1 1 1  -33   43    5 o   34.333   16.870   6.9681   13.904 -29.8976   24.338   24.830   16.941  ?   ?    40.471   19.602 0.000000 19.60248 
1 1 1  -33   43    6 o   28.618   14.315  -4.8545   11.874   47.454   24.891 -20.2656   13.511   39.859   20.045  ?   ?  0.000000 20.04506 
1 1 1  -33   45    1 o   30.557   15.145  -2.5482   12.077  -6.1122   26.185  -1.5852   13.611  ?   ?    31.608   15.734 0.000000 15.73409 
1 1 1  -33   45    2 o   35.426   17.038   8.8519   12.258   27.702   26.547   3.7431   13.820   37.868   19.222   33.336   16.464 4.531311 25.30881 
1 1 1  -33   45    3 o   36.716   18.019   14.372   15.714 -10.3951   27.605   26.244   19.112  ?   ?    39.372   19.429 0.000000 19.42902 
1 1 1  -33   45    4 o   27.887   14.021  -8.3010   12.142   6.4585   25.158 -12.7833   13.864  ?   ?    27.820   14.097 0.000000 14.09719 
1 1 1  -33   47    1 o   34.421   16.757   10.339   12.802  -6.3268   26.027   15.658   14.703  ?   ?    36.104   17.659 0.000000 17.65853 
1 1 1  -32    0    1 o   57.168   35.847   7.1512   29.434   7.1512   29.434   7.1512   29.434   57.168   35.847   57.168   35.847 0.000000 0.000000 
1 1 1  -32    0    2 o   35.269   24.438 -16.8312   20.595 -16.8312   20.595 -16.8312   20.595   35.269   24.438   35.269   24.438 0.000000 0.000000 
1 1 1  -32    0    3 o   39.709   26.747  -8.6792   21.134  -8.6792   21.134  -8.6792   21.134   39.709   26.747   39.709   26.747 0.000000 0.000000 
1 1 1  -32    0    4 o  145.061   24.887   80.040   22.778   80.040   22.778   80.040   22.778  145.061   24.887  145.061   24.887 0.000000 0.000000 
1 1 1  -32    0    5 o   67.141   35.935   23.515   22.861   23.515   22.861   23.515   22.861   67.141   35.935   67.141   35.935 0.000000 0.000000 
1 1 1  -32    0    6 o   44.045   29.181  -4.6840   23.394  -4.6840   23.394  -4.6840   23.394   44.045   29.181   44.045   29.181 0.000000 0.000000 
1 1 1  -32    0    7 o  139.094   30.687   78.206   25.842   78.206   25.842   78.206   25.842  139.094   30.687  139.094   30.687 0.000000 0.000000 
1 1 1  -32    0    8 o   44.079   30.971 -35.1463   36.430 -35.1463   36.430 -35.1463   36.430   44.079   30.971   44.079   30.971 0.000000 0.000000 
1 1 1  -32    0    9 o   53.786   33.476   9.3693   25.187   9.3693   25.187   9.3693   25.187   53.786   33.476   53.786   33.476 0.000000 0.000000 
1 1 1  -32    0   10 o   37.179   26.253 -28.6141   27.217 -28.6141   27.217 -28.6141   27.217   37.179   26.253   37.179   26.253 0.000000 0.000000 
1 1 1  -32    0   11 o   67.621   37.831   26.925   26.535   26.925   26.535   26.925   26.535   67.621   37.831   67.621   37.831 0.000000 0.000000 
1 1 1  -32    0   12 o   41.533   28.373  -9.3969   25.537  -9.3969   25.537  -9.3969   25.537   41.533   28.373   41.533   28.373 0.000000 0.000000 
1 1 1  -32    0   13 o   47.854   31.222   5.6296   25.249   5.6296   25.249   5.6296   25.249   47.854   31.222   47.854   31.222 0.000000 0.000000 
1 1 1  -32    0   14 o   37.335   25.841  -9.7111   22.868  -9.7111   22.868  -9.7111   22.868   37.335   25.841   37.335   25.841 0.000000 0.000000 
1 1 1  -32    0   15 o   35.757   24.771  -6.8579   21.131  -6.8579   21.131  -6.8579   21.131   35.757   24.771   35.757   24.771 0.000000 0.000000 
1 1 1  -32    2    1 f   55.242   23.982   5.1760   17.020  -3.5112   27.880   10.337   21.490   59.992   27.875   62.841   27.114 -2.849163 38.88654 
1 1 1  -32    2    2 o   68.343   24.293   19.884   14.442   24.275   20.654   15.684   20.200   73.699   28.492   65.875   27.229 7.824440 39.41110 
1 1 1  -32    2    3 o   60.588   23.961   13.610   14.884   26.023   20.998   1.0768   21.100   74.602   28.760   55.741   25.280 18.86102 38.29116 
1 1 1  -32    2    4 o   88.687   25.061   36.584   16.063   44.255   22.571   28.711   22.866   91.330   30.459   75.772   29.783 15.55828 42.60030 
1 1 1  -32    2    5 o   69.729   25.615   22.984   16.219   23.048   22.513   22.915   23.386   69.584   28.753   69.561   29.070 0.2307129E-01 40.88730 
1 1 1  -32    2    6 o   96.125   25.229   45.040   16.997   43.761   23.865   46.357   24.213   85.361   31.114   87.546   31.420 -2.185379 44.21878 
1 1 1  -32    2    7 o   39.251   19.429 -27.9610   19.643 -21.5049   23.653 -42.3073   35.259   45.292   22.204   49.019   24.542 -3.726223 33.09570 
1 1 1  -32    2    8 o   40.325   20.275 -44.0673   25.397 -66.1951   36.707 -23.7463   35.177   44.812   22.732   51.021   25.381 -6.208370 34.07241 
1 1 1  -32    2    9 o   48.391   22.914   0.5840   20.430 -36.1219   35.508   18.749   24.979   47.133   23.734   58.554   26.912 -11.42093 35.88276 
1 1 1  -32    2   10 o   50.923   23.517   10.312   19.397   8.7425   27.119   11.956   27.753   52.121   25.134   53.326   25.644 -1.205227 35.90705 
1 1 1  -32    2   11 o   36.736   18.348 -22.1430   19.171  -8.9622   27.135 -35.2790   27.089   44.784   22.281   39.539   20.000 5.244305 29.94052 
1 1 1  -32    2   12 o   44.508   21.195   7.1553   17.970  -0.2604   25.173   14.862   25.662   43.961   21.802   48.276   23.551 -4.315792 32.09297 
1 1 1  -32    2   13 o   39.826   19.607  -0.2186   19.078  -4.4790   29.193   2.9573   25.205   41.498   20.971   42.224   21.082 -0.7259750 29.73547 
1 1 1  -32    2   14 o   54.556   24.384   38.639   18.840   65.971   23.456 -11.0585   31.629   63.016   27.736  ?   ?  0.000000 27.73602 
1 1 1  -32    2   15 o   46.268   21.168   27.010   15.211   48.503   22.459   8.7959   20.675   48.046   23.096   37.000   18.562 11.04681 29.63118 
1 1 1  -32    4    1 o   41.919   20.111 -16.5426   16.841 -13.3805   29.305 -18.1018   20.579   57.045   27.137   46.302   22.218 10.74283 35.07217 
1 1 1  -32    4    2 o   72.009   28.631   22.523   21.359   0.0000   0.0000   22.523   21.359  ?   ?    72.009   28.631 0.000000 28.63142 
1 1 1  -32    4    3 f   63.390   24.391   16.183   15.081  -7.7738   21.249   40.500   21.408   51.097   23.937   89.340   29.658 -38.24300 38.11224 
1 1 1  -32    4    4 o   55.946   23.500   9.2898   15.404  -2.8080   22.202   20.517   21.389   53.864   24.975   68.533   28.140 -14.66925 37.62468 
1 1 1  -32    4    5 o   70.566   25.766   23.849   16.376   44.635   22.763   1.5479   23.578   89.412   30.585   56.265   25.964 33.14742 40.11976 
1 1 1  -32    4    6 o   90.570   25.574   40.778   16.735   24.181   23.302   58.455   24.048   68.620   28.868  100.182   31.271 -31.56271 42.55874 
1 1 1  -32    4    7 o   58.090   25.537   12.808   19.831   3.9459   24.285   30.541   34.353   55.242   25.784   69.270   31.735 -14.02784 40.88940 
1 1 1  -32    4    8 o   33.576   16.975 -46.8447   19.302 -72.4390   35.546 -36.1419   22.986   43.191   21.955   39.774   19.899 3.416782 29.63068 
1 1 1  -32    4    9 o   35.568   17.734 -27.4435   17.579 -23.9080   25.473 -30.6588   24.292   43.658   21.699   41.175   20.578 2.482849 29.90511 
1 1 1  -32    4   10 o   44.703   21.400  -1.6364   18.837 -11.8948   26.361   9.0669   26.927   45.620   22.568   52.047   25.085 -6.427025 33.74269 
1 1 1  -32    4   11 o   40.139   19.717  -9.7400   18.943   6.2618   26.026 -27.7665   27.624   48.366   23.622   41.055   20.705 7.311165 31.41178 
1 1 1  -32    4   12 o   37.069   18.296 -10.2123   16.976   9.1111   22.622 -35.1219   25.685   46.069   22.393   37.133   18.855 8.935398 29.27342 
1 1 1  -32    4   13 o   40.364   19.804   1.8295   18.939  -3.3629   28.178   6.1079   25.577   41.387   20.878   42.892   21.386 -1.505238 29.88744 
1 1 1  -32    4   14 o   42.492   20.560   15.126   18.525  -6.7052   23.409   51.707   30.302   37.178   18.786   48.729   24.122 -11.55099 30.57469 
1 1 1  -32    4   15 o   35.765   17.584   6.0499   15.169   26.020   22.058 -11.8684   20.894   40.908   20.308  ?   ?  0.000000 20.30804 
1 1 1  -32    6    1 o   40.352   19.541 -19.8711   16.812  -8.7854   28.785 -25.6105   20.712   58.133   27.427   43.531   21.219 14.60239 34.67686 
1 1 1  -32    6    2 o   72.681   24.777   23.513   14.937   15.065   21.553   31.320   20.721   65.629   27.695   80.241   29.031 -14.61142 40.12219 
1 1 1  -32    6    3 o   57.649   23.652   10.902   15.095   50.561   21.323 -28.9333   21.371  100.806   29.004   42.825   21.017 57.98133 35.81784 
1 1 1  -32    6    4 o   41.839   19.784 -10.0003   15.131 -20.6327   21.469   0.4939   21.329   45.342   21.988   54.646   25.025 -9.304024 33.31209 
1 1 1  -32    6    5 o   60.740   24.629   14.930   16.132  -1.7267   22.284   33.271   23.384   53.461   24.867   77.509   30.219 -24.04809 39.13512 
1 1 1  -32    6    6 o   47.140   21.690  -1.4425   16.287  -3.8102   23.021   0.9301   23.046   52.065   24.553   54.265   25.257 -2.200737 35.22464 
1 1 1  -32    6    7 o   40.852   20.164 -25.6949   20.619 -26.1516   24.611 -24.6195   37.765   44.584   22.010   53.482   26.554 -8.898327 34.49001 
1 1 1  -32    6    8 o   51.238   23.585   5.0709   19.280   22.683   33.074  -3.9941   23.728   62.789   29.556   49.821   23.894 12.96795 38.00615 
1 1 1  -32    6    9 o   42.212   20.300  -7.5477   17.391 -21.6439   26.270   3.4511   23.205   44.608   22.148   50.780   24.154 -6.171928 32.77092 
1 1 1  -32    6   10 o   48.799   22.611   7.7568   18.154   22.361   25.394  -7.5105   25.964   56.944   26.507   46.419   22.857 10.52479 35.00055 
1 1 1  -32    6   11 o   42.938   20.636  -0.1727   17.902   11.639   23.747 -15.7207   27.245   49.574   23.810   43.054   21.558 6.519634 32.11929 
1 1 1  -32    6   12 o   43.511   21.031   4.5968   19.259   15.307   28.231  -4.7269   26.340   48.024   23.683   42.941   21.456 5.083637 31.95688 
1 1 1  -32    6   13 o   31.674   16.005 -25.0746   16.978 -22.3100   23.271 -28.2206   24.824   36.245   18.356   36.005   18.306 0.2402840 25.92402 
1 1 1  -32    6   14 o   41.873   20.351   14.157   18.673   6.2417   23.732   27.024   30.258   39.657   19.895   43.374   21.850 -3.716835 29.55001 
1 1 1  -32    6   15 f  ?   ?  -29.1263   15.137   2.4931   21.221 -61.8762   21.597   35.346   17.863  ?   ?  0.000000 17.86333 
1 1 1  -32    8    1 o   53.955   23.633   4.3625   16.849  -1.8088   27.172   8.2178   21.476   59.457   27.590   60.669   26.625 -1.211876 38.34192 
1 1 1  -32    8    2 o   93.809   23.562   38.993   15.277   59.119   21.213   17.305   22.020  111.775   27.588   67.130   28.142 44.64535 39.40933 
1 1 1  -32    8    3 o  152.738   15.580   90.342   16.240   78.144   22.456  103.716   23.513  130.906   25.703  155.416   22.515 -24.50945 34.16954 
1 1 1  -32    8    4 o   73.446   25.007   25.424   15.216   44.547   21.562   6.4549   21.475   91.474   29.735   57.941   25.956 33.53304 39.47007 
1 1 1  -32    8    5 o   56.462   23.749   10.829   15.767   29.676   21.546 -10.8977   23.134   74.446   29.012   49.906   23.843 24.54031 37.55209 
1 1 1  -32    8    6 o   44.239   20.935  -7.8351   17.005 -11.6975   23.239  -3.3837   24.948   48.797   23.466   53.378   25.288 -4.581188 34.49859 
1 1 1  -32    8    7 o   58.140   25.687   13.415   20.305  -1.2775   24.076   49.610   37.789   52.341   24.810   75.723   34.133 -23.38141 42.19728 
1 1 1  -32    8    8 o   54.186   25.070   8.4112   22.192   18.156   33.651   0.9117   29.521   60.749   28.949   54.098   26.121 6.650761 38.99151 
1 1 1  -32    8    9 o   80.789   28.718   45.123   20.182   12.820   37.764   58.038   23.878   56.817   27.895   86.933   31.202 -30.11666 41.85297 
1 1 1  -32    8   10 o   46.230   21.727   3.7538   17.752  -0.8473   24.531   8.8125   25.722   47.514   23.146   51.141   24.616 -3.626991 33.78883 
1 1 1  -32    8   11 o   56.812   24.563   24.058   17.711   8.6843   23.768   43.252   26.557   48.203   23.315   62.281   28.291 -14.07840 36.65989 
1 1 1  -32    8   12 o   67.794   27.589   46.673   20.330  106.537   30.271  -2.5126   27.439   88.159   34.379   43.451   21.739 44.70795 40.67519 
1 1 1  -32    8   13 o   40.802   19.712   5.5446   16.872   6.3245   23.257   4.6782   24.515   42.213   20.939   41.973   20.929 0.2405128 29.60520 
1 1 1  -32    8   14 o   36.174   17.846  -0.0081   16.082 -12.2819   22.934   11.866   22.558   35.638   18.067   40.623   20.227 -4.984932 27.12104 
1 1 1  -32    8   15 o   37.531   18.659   13.340   18.891   1.7337   30.453   20.600   24.086  ?   ?    38.469   19.393 0.000000 19.39321 
1 1 1  -32   10    1 o   58.405   24.622   10.104   17.010 -13.5122   27.163   25.342   21.818   54.232   25.889   73.610   29.042 -19.37820 38.90607 
1 1 1  -32   10    2 o   47.875   21.602  -0.7313   15.179  -1.7663   21.125   0.3735   21.826   53.714   24.711   55.508   25.381 -1.793472 35.42315 
1 1 1  -32   10    3 o   61.190   24.378   14.729   15.512  -0.0363   21.428   30.986   22.484   54.491   25.001   77.425   29.785 -22.93445 38.88663 
1 1 1  -32   10    4 o  132.222   17.771   70.937   15.851   85.699   21.610   53.744   23.321  138.620   23.354   98.857   30.785 39.76266 38.64093 
1 1 1  -32   10    5 o   35.828   17.651 -23.8866   15.550 -56.8825   21.410   12.952   22.622   35.092   17.754   61.193   27.071 -26.10082 32.37317 
1 1 1  -32   10    6 o   43.531   21.015 -14.2549   19.094  -2.1915   22.846 -42.2000   34.772   52.061   24.523   49.085   24.545 2.975952 34.69651 
1 1 1  -32   10    7 o   37.830   18.592 -20.8653   16.910 -17.4782   23.214 -24.6940   24.682   45.493   22.238   44.608   22.025 0.8855858 31.29914 
1 1 1  -32   10    8 o   74.692   27.645   35.340   18.952   39.795   31.969   32.926   23.534   68.971   31.214   68.770   28.975 0.2008209 42.58945 
1 1 1  -32   10    9 o   44.227   21.426  -7.4310   20.265   11.424   37.199 -15.3881   24.166   55.877   27.484   44.376   21.889 11.50122 35.13523 
1 1 1  -32   10   10 o   59.492   24.691   23.577   16.707   16.398   22.165   33.020   25.422   53.415   24.831   61.169   27.744 -7.754162 37.23329 
1 1 1  -32   10   11 o   53.601   23.647   20.025   17.147   25.390   23.511   13.930   25.060   54.578   25.439   49.770   24.040 4.808220 35.00071 
1 1 1  -32   10   12 o   44.315   21.457   7.5336   20.261   7.7756   34.926   7.4108   24.874   46.008   23.213   44.997   22.198 1.011562 32.11832 
1 1 1  -32   10   13 o   38.334   19.024  -3.0974   19.298 -30.1220   31.623   12.938   24.359  ?   ?    43.667   21.619 0.000000 21.61857 
1 1 1  -32   10   14 o   37.847   18.748   4.2030   18.421   0.1087   30.917   6.4565   22.937  ?   ?    38.972   19.552 0.000000 19.55186 
1 1 1  -32   12    1 o   46.044   21.524  -7.3217   17.029 -17.7024   27.751  -1.0510   21.568   52.818   25.459   54.335   24.986 -1.517292 35.67153 
1 1 1  -32   12    2 o   51.847   22.561   4.9470   15.134   17.931   20.888  -9.4018   21.958   66.138   27.542   50.420   23.839 15.71781 36.42594 
1 1 1  -32   12    3 o  111.514   21.421   53.697   15.932   60.735   21.882   45.757   23.241  109.920   28.518   90.784   30.906 19.13538 42.05285 
1 1 1  -32   12    4 o   54.089   23.186   8.2176   15.522   30.023   20.822 -19.0569   23.288   75.196   28.726   47.112   22.858 28.08379 36.71049 
1 1 1  -32   12    5 o   74.033   25.258   27.534   15.524   32.347   21.413   22.202   22.539   75.685   29.078   66.909   28.282 8.775551 40.56389 
1 1 1  -32   12    6 o   45.899   21.850  -7.9671   19.067 -25.6825   22.416   38.400   36.264   42.846   21.124   72.574   33.002 -29.72807 39.18357 
1 1 1  -32   12    7 o   48.110   22.131   1.8428   16.942  -8.3451   22.874   14.223   25.215   48.025   23.140   58.984   27.084 -10.95904 35.62290 
1 1 1  -32   12    8 o   33.712   17.036 -43.9588   19.271 -24.9463   32.960 -53.8331   23.753   48.282   24.107   36.372   18.433 11.91058 30.34635 
1 1 1  -32   12    9 o   42.817   20.827  -9.1902   19.663  -1.1727   34.598 -13.0150   23.897   51.944   25.725   44.541   21.931 7.403618 33.80453 
1 1 1  -32   12   10 o   31.210   15.767 -34.9104   16.418 -40.7413   21.911 -27.4453   24.792   35.407   17.918   40.157   20.171 -4.749676 26.97991 
1 1 1  -32   12   11 o   71.951   27.702   45.361   19.463   52.000   33.039   41.833   24.086   59.715   28.519   62.188   27.699 -2.473198 39.75655 
1 1 1  -32   12   12 o   34.815   17.398 -16.4422   17.342 -13.3150   25.466 -19.1470   23.683   39.975   20.125   38.076   19.199 1.899323 27.81448 
1 1 1  -32   12   13 o   36.639   18.372  -9.7489   20.117   0.2640   24.742 -29.2780   34.554   40.297   20.229  ?   ?  0.000000 20.22901 
1 1 1  -32   12   14 o   36.896   17.970   4.7075   14.771   26.717   33.254  -0.7024   16.487  ?   ?    35.461   17.596 0.000000 17.59616 
1 1 1  -32   14    1 o   52.872   23.603   3.3573   17.597   23.078   28.549  -8.7250   22.347   71.038   30.948   50.880   24.054 20.15771 39.19676 
1 1 1  -32   14    2 o  137.109   17.263   75.440   16.019   54.366   21.612  101.131   23.863  102.608   29.094  150.577   23.679 -47.96893 37.51240 
1 1 1  -32   14    3 o   71.635   25.359   24.744   15.721   15.841   21.283   35.435   23.324   63.403   27.163   79.468   30.391 -16.06432 40.76139 
1 1 1  -32   14    4 o   56.087   23.615   10.896   15.613  -4.4457   20.914   30.213   23.467   50.382   23.648   73.671   29.763 -23.28892 38.01376 
1 1 1  -32   14    5 o   95.788   24.858   45.169   16.623   43.172   23.224   47.267   23.803   83.756   30.668   87.157   31.166 -3.400826 43.72526 
1 1 1  -32   14    6 o   92.473   27.626   47.565   19.038   73.698   22.354 -21.4341   36.324  117.031   27.978   53.171   26.337 63.85997 38.42414 
1 1 1  -32   14    7 o   73.311   25.871   30.681   16.350   8.4434   23.070   53.120   23.175   54.821   25.433   88.338   30.827 -33.51618 39.96450 
1 1 1  -32   14    8 o   45.198   21.573  -3.8676   18.844  -2.5059   31.755  -4.6077   23.411   52.353   25.678   47.985   23.192 4.367222 34.60096 
1 1 1  -32   14    9 o   52.828   24.102   13.426   19.545   33.332   32.578   2.2311   24.431   60.728   28.808   49.203   23.758 11.52548 37.34071 
1 1 1  -32   14   10 o   49.594   22.444   12.223   16.526   12.112   22.973   12.342   23.789   50.406   23.992   50.599   24.175 -0.1932907 34.05991 
1 1 1  -32   14   11 o   33.395   16.903 -34.4207   19.549 -35.0829   34.746 -34.1140   23.647  ?   ?    36.481   18.478 0.000000 18.47845 
1 1 1  -32   14   12 f   34.841   17.404 -15.1781   17.271   0.2431   25.774 -27.7464   23.268   42.448   21.212   35.954   18.224 6.494030 27.96513 
1 1 1  -32   14   13 o   52.763   22.567   25.924   14.646 -12.4878   34.026   34.659   16.226  ?   ?    57.922   24.211 0.000000 24.21052 
1 1 1  -32   14   14 o   44.845   20.837   22.199   15.579  -4.6780   31.155   31.160   17.989  ?   ?    47.660   22.227 0.000000 22.22690 
1 1 1  -32   16    1 o   51.509   23.196   2.3160   17.401  -2.3595   20.939   12.751   31.282   52.075   24.184   65.401   30.081 -13.32516 38.59651 
1 1 1  -32   16    2 o   41.861   19.797  -9.1398   15.160  -7.4865   20.406 -11.1764   22.649   48.881   23.071   49.456   23.618 -0.5746918 33.01648 
1 1 1  -32   16    3 o   78.228   25.436   30.454   15.777   48.383   21.512   9.5877   23.208   93.495   29.632   59.473   26.784 34.02139 39.94331 
1 1 1  -32   16    4 o  104.096   23.340   50.582   16.400   45.233   22.935   56.180   23.461   86.772   30.639   97.761   30.941 -10.98874 43.54413 
1 1 1  -32   16    5 o   57.695   26.346   9.5810   23.420   1.6307   31.391   19.561   35.171   57.760   27.644   65.070   30.582 -7.309963 41.22409 
1 1 1  -32   16    6 o   56.562   23.897   13.851   16.078   13.542   21.960   14.207   23.605   58.051   26.107   58.873   26.715 -0.8220100 37.35387 
1 1 1  -32   16    7 o   81.447   25.917   37.868   16.443   23.073   22.109   56.183   24.598   62.342   27.195   87.395   31.629 -25.05304 41.71317 
1 1 1  -32   16    8 o   48.880   22.841   4.3963   19.146 -19.2976   30.517   19.778   24.588   47.209   23.510   58.057   26.690 -10.84772 35.56788 
1 1 1  -32   16    9 o   47.319   22.403   4.0342   19.515   26.844   32.675  -8.6128   24.331   57.516   27.699   45.149   22.211 12.36672 35.50448 
1 1 1  -32   16   10 o   36.934   18.193 -13.0809   16.499   10.363   22.627 -39.6953   24.109   48.984   23.451   36.726   18.608 12.25792 29.93653 
1 1 1  -32   16   11 o   73.143   26.830   44.854   17.785   21.210   25.300   67.954   25.007   50.343   24.276   76.005   30.718 -25.66192 39.15236 
1 1 1  -32   16   12 o   54.476   23.912   28.475   17.331   53.642   24.767   4.3265   24.260   60.815   27.503   42.578   21.165 18.23637 34.70347 
1 1 1  -32   16   13 o   32.131   15.926  -8.8281   13.363 -66.6829   30.286   5.1578   14.891  ?   ?    38.625   18.625 0.000000 18.62522 
1 1 1  -32   16   14 o   46.685   22.629   41.881   22.682   46.795   31.904   36.859   32.252   42.868   21.686   41.322   20.996 1.546707 30.18487 
1 1 1  -32   18    1 o   40.930   19.557 -11.7236   15.576 -46.4881   21.053   30.320   23.152   36.821   18.507   74.042   29.685 -37.22114 34.98146 
1 1 1  -32   18    2 o   41.282   19.670 -10.6482   15.528 -15.2251   21.031  -5.1625   23.024   45.791   22.094   51.744   24.448 -5.952953 32.95246 
1 1 1  -32   18    3 o   75.057   25.661   28.847   16.024   18.417   22.118   40.369   23.246   63.830   27.524   81.661   30.539 -17.83076 41.11172 
1 1 1  -32   18    4 o   55.608   23.666   11.393   15.961   8.5524   22.091   14.496   23.088   56.768   25.792   60.627   27.053 -3.859234 37.37810 
1 1 1  -32   18    5 o   61.386   26.257   18.326   19.827   6.3505   22.726   56.488   40.570   54.933   25.399   77.109   35.003 -22.17640 43.24733 
1 1 1  -32   18    6 o   36.430   17.892 -19.0398   15.580  -6.2592   21.190 -34.0791   22.986   47.202   22.623   40.173   20.069 7.028259 30.24126 
1 1 1  -32   18    7 o   57.352   24.016   16.984   16.008   16.681   21.279   17.378   24.298   57.375   25.760   58.043   26.628 -0.6683502 37.04882 
1 1 1  -32   18    8 o   42.392   20.609  -9.3035   19.181  -3.2059   31.343 -12.9546   24.254   50.556   24.936   44.775   22.056 5.780430 33.29033 
1 1 1  -32   18    9 o   42.833   20.763  -4.7503   19.102 -18.5951   33.462   1.9425   23.265   46.187   23.229   47.403   22.963 -1.215412 32.66318 
1 1 1  -32   18   10 o   58.910   25.310   28.200   18.571   33.888   31.391   25.137   23.035   55.480   26.825   54.618   25.365 0.8624382 36.91780 
1 1 1  -32   18   11 o   39.077   19.072  -3.3652   16.884   12.992   24.623 -17.8811   23.196   46.862   22.906   38.545   19.380 8.316998 30.00414 
1 1 1  -32   18   12 o   48.081   21.342   17.733   14.176   40.771   33.119   12.565   15.686   49.270   24.529   44.198   20.660 5.071571 32.07051 
1 1 1  -32   18   13 o   29.588   14.931 -19.7148   14.480  -6.0732   26.465 -25.5438   17.300   37.846   19.209   30.558   15.512 7.287493 24.69024 
1 1 1  -32   18   14 o   46.499   21.057   26.263   14.574   24.971   30.525   26.644   16.587  ?   ?    44.457   20.927 0.000000 20.92746 
1 1 1  -32   20    1 o   70.852   25.129   25.236   15.444   8.2030   21.298   44.125   22.428   56.834   25.621   86.101   30.310 -29.26712 39.68793 
1 1 1  -32   20    2 o   44.582   20.909  -5.4168   16.298   12.280   22.037 -26.7839   24.215   59.392   26.471   44.640   21.999 14.75219 34.41912 
1 1 1  -32   20    3 o   85.113   26.038   38.026   16.768   36.219   23.581   39.875   23.849   76.178   30.149   79.169   30.614 -2.991707 42.96693 
1 1 1  -32   20    4 o   46.835   21.701  -0.9412   16.720  -5.1514   23.196   3.6123   24.123   50.186   23.948   54.501   25.522 -4.315037 34.99873 
1 1 1  -32   20    5 o   51.454   23.608   5.0037   19.109   10.531   22.271 -10.4244   37.208   56.076   25.640   54.824   27.064 1.251900 37.28099 
1 1 1  -32   20    6 o   34.614   17.193 -24.8049   15.896 -40.3538   21.186  -4.7749   24.046   36.640   18.435   49.072   23.664 -12.43222 29.99722 
1 1 1  -32   20    7 o   45.995   21.393   1.9414   16.489  -9.1626   22.143   15.763   24.704   45.211   22.016   56.296   26.185 -11.08478 34.21048 
1 1 1  -32   20    8 o   81.092   27.815   45.769   18.828   73.463   34.163   33.687   22.564   76.569   33.592   64.712   27.852 11.85711 43.63723 
1 1 1  -32   20    9 o   52.118   23.838   16.112   19.270   22.127   34.046   13.276   23.375   53.825   26.438   50.908   24.223 2.916637 35.85700 
1 1 1  -32   20   10 o   45.335   21.587   7.0877   18.633 -13.6000   32.112   17.589   22.879   43.911   22.168   50.259   23.928 -6.348045 32.61842 
1 1 1  -32   20   11 o   41.534   19.261   6.4694   13.215  -5.4927   32.263   8.8809   14.486   43.073   21.792   43.406   20.143 -0.3329849 29.67506 
1 1 1  -32   20   12 o   36.373   17.610  -0.4774   13.636   10.117   30.204  -3.1897   15.282   42.865   21.622   36.219   17.775 6.645782 27.99047 
1 1 1  -32   20   13 o   34.308   16.939  -2.6035   14.595   15.741   26.500 -10.5913   17.486   40.804   20.541   33.460   16.824 7.343796 26.55142 
1 1 1  -32   22    1 o   44.195   20.566  -3.3922   15.269 -12.2534   21.317   5.9436   21.880   46.284   22.310   54.994   25.244 -8.709785 33.68970 
1 1 1  -32   22    2 o   86.410   25.327   38.640   16.125   40.060   22.296   37.083   23.350   79.959   29.907   76.342   30.068 3.617302 42.40919 
1 1 1  -32   22    3 o   69.139   25.730   25.895   16.462   8.2769   22.773   45.173   23.822   55.926   25.702   82.247   30.884 -26.32058 40.17972 
1 1 1  -32   22    4 o   49.833   23.708  -2.7884   22.376  -2.7884   22.376   0.0000   0.0000   49.833   23.708  ?   ?  0.000000 23.70799 
1 1 1  -32   22    5 o   46.793   21.570   1.7527   16.208 -13.8175   21.515   22.188   24.647   44.314   21.606   61.851   27.750 -17.53701 35.16948 
1 1 1  -32   22    6 o   42.857   20.216  -3.0013   15.626   5.6526   20.547 -14.8725   24.065   50.794   23.711   45.117   22.174 5.677010 32.46356 
1 1 1  -32   22    7 o   61.582   25.963   25.045   18.914   14.351   30.068   32.047   24.330   55.202   26.582   63.833   28.165 -8.630726 38.72784 
1 1 1  -32   22    8 o   49.362   23.031   9.2354   19.346   37.668   33.037  -5.6020   23.866   60.109   28.655   45.390   22.262 14.71947 36.28671 
1 1 1  -32   22    9 o   40.952   20.287 -11.8229   21.577   0.0000   0.0000 -11.8229   21.577  ?   ?    40.952   20.287 0.000000 20.28716 
1 1 1  -32   22   10 o   35.193   17.577 -18.1776   17.586 -58.2439   28.601   6.1771   22.299  ?   ?    45.079   21.983 0.000000 21.98311 
1 1 1  -32   22   11 o   38.924   18.466   2.9002   13.393   45.761   30.365  -7.4522   14.923   53.012   25.808   35.303   17.372 17.70953 31.11022 
1 1 1  -32   22   12 o   47.070   21.333   19.387   14.995  -6.8439   28.707   29.229   17.584   39.174   19.895   51.469   23.234 -12.29492 30.58832 
1 1 1  -32   22   13 o   48.662   21.379   24.926   13.879   24.551   28.054   25.047   15.971   41.144   20.765   46.279   21.361 -5.134869 29.78991 
1 1 1  -32   24    1 o   63.027   25.630   20.624   17.530   39.502   30.599   11.401   21.387   72.723   31.851   56.834   25.643 15.88873 40.89095 
1 1 1  -32   24    2 o   42.104   20.351 -12.7193   18.038   11.444   30.999 -25.0886   22.179   59.451   28.172   42.110   20.808 17.34056 35.02353 
1 1 1  -32   24    3 o   70.040   29.347   32.867   23.924   0.0000   0.0000   32.867   23.924  ?   ?    70.040   29.347 0.000000 29.34657 
1 1 1  -32   24    4 o   68.054   29.345   32.562   25.143   49.171   35.533   15.907   35.583   72.127   32.748   59.945   28.878 12.18215 43.66195 
1 1 1  -32   24    5 o   48.328   22.598   2.3650   18.793   14.122   31.132  -4.3757   23.573   57.449   27.504   48.370   23.351 9.078930 36.07997 
1 1 1  -32   24    6 o   63.720   26.246   26.723   18.680  -2.7010   29.898   45.565   23.925   50.657   24.860   74.618   30.085 -23.96164 39.02721 
1 1 1  -32   24    7 o   43.117   20.847  -5.3146   18.961 -24.8195   32.453   4.7940   23.363   45.515   22.889   49.319   23.668 -3.804745 32.92565 
1 1 1  -32   24    8 o   45.276   21.580   2.9754   18.718 -20.4781   31.870   15.326   23.127   44.604   22.463   51.803   24.484 -7.199223 33.22752 
1 1 1  -32   24    9 o   47.662   22.279   11.498   18.237   9.9805   34.358   12.093   21.519   48.766   24.387   48.283   23.048 0.4825249 33.55471 
1 1 1  -32   24   10 o   53.765   21.739   19.954   12.531   13.117   30.654   21.326   13.730   46.759   23.330   54.000   22.395 -7.240868 32.33969 
1 1 1  -32   24   11 o   32.008   15.817 -10.2432   12.820   3.9571   30.537 -13.2817   14.126   42.608   21.523   32.206   16.032 10.40192 26.83732 
1 1 1  -32   24   12 o   37.389   18.186   3.1488   14.992   56.341   31.580 -12.3268   17.033   49.147   24.381   33.392   16.766 15.75492 29.58974 
1 1 1  -32   24   13 o   37.909   18.250   10.118   14.150   6.8829   29.556   11.080   16.117  ?   ?    38.170   18.630 0.000000 18.63027 
1 1 1  -32   26    1 o   53.228   23.666   9.8881   17.501  -2.2029   30.110   16.057   21.507   53.585   25.997   58.504   26.108 -4.919132 36.84406 
1 1 1  -32   26    2 o   65.176   26.228   24.770   18.146   31.815   30.905   21.064   22.416   66.156   30.231   61.419   27.070 4.736748 40.57954 
1 1 1  -32   26    3 o   47.665   23.103  -7.8752   23.629 -21.6976   31.326   10.371   35.991   48.407   24.060   57.923   28.176 -9.515915 37.05057 
1 1 1  -32   26    4 o   44.065   21.655 -15.9313   22.937 -32.3122   31.201   3.3298   33.833   45.576   22.857   54.656   26.744 -9.080074 35.18085 
1 1 1  -32   26    5 o   53.925   24.245   13.577   18.925   15.985   31.432   12.208   23.703   56.642   27.252   54.132   25.333 2.510185 37.20792 
1 1 1  -32   26    6 o   61.875   25.916   26.200   18.646   55.756   33.238   12.628   22.524   69.249   31.530   52.792   24.703 16.45734 40.05473 
1 1 1  -32   26    7 o   49.610   22.915   10.744   18.432   5.9024   31.936   13.162   22.570   50.588   24.992   51.493   24.292 -0.9048462 34.85239 
1 1 1  -32   26    8 o   44.476   21.742  -0.8451   22.198   0.0000   0.0000  -0.8451   22.198  ?   ?    44.476   21.742 0.000000 21.74153 
1 1 1  -32   26    9 o   41.447   18.897   5.6815   11.991 -19.5415   29.688   10.598   13.107   41.540   21.005   45.598   20.363 -4.058399 29.25504 
1 1 1  -32   26   10 o   48.562   20.758   15.783   12.378 -33.1561   29.607   26.148   13.625  ?   ?    58.059   22.937 0.000000 22.93655 
1 1 1  -32   26   11 o   30.413   15.082 -11.3177   12.039  -1.1727   28.996 -13.4309   13.233   40.617   20.561   30.905   15.405 9.712557 25.69226 
1 1 1  -32   26   12 o   37.073   17.685   5.6166   12.628   1.2639   27.359   6.7949   14.235   38.297   19.447   37.989   18.292 0.3081627 26.69803 
1 1 1  -32   28    1 o   60.524   23.964   19.858   14.905   19.401   20.629   20.357   21.558   59.251   26.047   59.850   26.454 -0.5985909 37.12473 
1 1 1  -32   28    2 o   37.424   18.348 -16.6987   16.156   12.956   23.202 -44.6082   22.509   55.512   25.666   36.762   18.558 18.75076 31.67248 
1 1 1  -32   28    3 o   39.987   19.941 -27.9832   22.279 -29.4488   30.630 -26.3366   32.466   45.472   22.782   47.036   23.549 -1.564304 32.76580 
1 1 1  -32   28    4 o   53.552   24.159   13.271   18.976  -5.8585   31.662   23.993   23.705   50.402   24.897   59.892   27.012 -9.489407 36.73596 
1 1 1  -32   28    5 o   51.683   23.640   11.748   18.955 -12.6341   34.278   22.488   22.750   48.832   24.411   57.915   26.260 -9.082478 35.85353 
1 1 1  -32   28    6 o   51.481   23.336   13.572   17.952 -12.0000   34.945   22.740   20.925   47.927   24.057   56.922   25.551 -8.994579 35.09431 
1 1 1  -32   28    7 o   45.882   21.712   5.5986   18.286  -9.6439   33.697   11.961   21.770   46.559   23.403   49.651   23.552 -3.091957 33.20205 
1 1 1  -32   28    8 o   30.986   15.728 -38.8400   17.766 -16.4244   32.673 -48.2495   21.169   43.605   22.048  ?   ?  0.000000 22.04833 
1 1 1  -32   28    9 o   32.312   15.862  -9.9411   12.203 -47.4976   30.895  -2.9989   13.283  ?   ?    36.516   17.604 0.000000 17.60424 
1 1 1  -32   28   10 o   45.220   20.068   13.173   12.527   25.712   31.429   10.804   13.659   46.767   23.378   43.311   19.904 3.456112 30.70363 
1 1 1  -32   28   11 o   39.590   18.697   7.7909   13.437 -11.2537   28.460   13.254   15.242  ?   ?    42.619   20.062 0.000000 20.06214 
1 1 1  -32   28   12 o   36.389   17.438   6.0528   12.579 -16.2293   27.445   11.978   14.153  ?   ?    39.496   18.808 0.000000 18.80820 
1 1 1  -32   30    1 o   45.858   21.554   0.7668   17.476   0.4394   29.424   0.9452   21.722   51.510   25.148   48.511   23.156 2.999043 34.18534 
1 1 1  -32   30    2 o   47.092   21.535   5.2235   15.718   5.0997   21.098   5.3781   23.564   49.815   23.496   50.910   24.250 -1.094791 33.76587 
1 1 1  -32   30    3 o   57.139   24.312   18.978   16.838   8.2107   22.384   33.014   25.556   51.241   24.179   63.601   28.415 -12.35965 37.30988 
1 1 1  -32   30    4 f   47.749   21.790   7.3592   15.987   20.293   21.508  -8.6105   23.900   56.492   25.581   45.166   22.178 11.32668 33.85643 
1 1 1  -32   30    5 o   33.269   16.622 -24.3490   15.796 -33.1560   20.950 -12.7454   24.047   36.235   18.244   43.364   21.470 -7.128315 28.17498 
1 1 1  -32   30    6 o  ?   ?  -48.1662   15.377 -49.8318   21.499 -46.4216   22.003  ?   ?    34.119   17.337 0.000000 17.33676 
1 1 1  -32   30    7 o   40.400   19.586  -3.2912   17.003 -17.0390   30.901   2.6786   20.362   43.338   21.862   44.423   21.510 -1.084438 30.66973 
1 1 1  -32   30    8 o   30.011   14.935 -16.6472   12.229  -9.8098   30.252 -17.9826   13.370   42.958   21.665   30.967   15.444 11.99044 26.60648 
1 1 1  -32   30    9 o   37.507   17.659   1.9719   11.821   13.678   29.620  -0.2458   12.892   45.470   22.725   36.992   17.707 8.477676 28.80900 
1 1 1  -32   30   10 o   30.409   15.075 -11.1946   11.987   31.527   29.335 -19.7571   13.133   46.873   23.295   28.914   14.543 17.95905 27.46219 
1 1 1  -32   30   11 o   39.324   18.440   9.1379   12.665   37.039   27.296   1.4833   14.297   45.439   22.563   35.858   17.512 9.580795 28.56137 
1 1 1  -32   30   12 f   46.394   20.439   23.096   12.766 -18.0732   26.010   36.160   14.652  ?   ?    54.061   22.825 0.000000 22.82483 
1 1 1  -32   32    1 o   95.338   25.879   54.131   17.514   53.190   20.914   56.341   32.044   84.750   29.302   70.221   31.563 14.52892 43.06736 
1 1 1  -32   32    2 o   40.814   19.820  -8.5032   17.616  -5.2450   20.973 -16.3073   32.459   44.473   21.604   47.091   23.572 -2.617973 31.97478 
1 1 1  -32   32    3 o   69.208   25.907   32.940   16.737   26.107   23.326   40.190   24.028   58.580   26.572   66.794   28.745 -8.213936 39.14550 
1 1 1  -32   32    4 o   50.820   22.534   13.425   15.762   0.2373   21.226   29.638   23.534   45.701   22.087   59.435   26.850 -13.73407 34.76725 
1 1 1  -32   32    5 o   43.084   20.169   3.1586   15.043  -4.1858   21.286   10.487   21.263   43.430   21.243   49.007   23.255 -5.576508 31.49706 
1 1 1  -32   32    6 o   58.881   22.435   22.357   12.681   50.585   29.436   15.924   14.052   62.138   28.792   51.069   21.980 11.06904 36.22300 
1 1 1  -32   32    7 o   40.809   19.812  -1.0186   17.569   7.8341   29.000  -6.1515   22.082   46.549   23.138   41.286   20.466 5.262669 30.89055 
1 1 1  -32   32    8 o   74.012   22.305   35.141   12.370   61.951   30.278   29.769   13.553   59.817   28.193   62.997   23.366 -3.180622 36.61707 
1 1 1  -32   32    9 o   34.938   16.751  -1.1188   11.639  -9.2293   27.908   0.5886   12.805   39.830   20.164   36.690   17.585 3.139980 26.75487 
1 1 1  -32   32   10 o   35.556   17.189   0.6751   12.881  -8.6195   25.938   3.7177   14.840   37.724   19.134   37.777   18.310 -0.5267334E-01 26.48290 
1 1 1  -32   32   11 o   25.695   13.054 -24.8535   12.446 -18.0098   24.997 -27.1094   14.352  ?   ?   ?   ?  0.000000      ? 
1 1 1  -32   34    1 o   42.124   19.990  -0.5889   15.715   1.7898   21.373  -3.3882   23.185   46.366   22.348   45.366   22.186 1.000584 31.49003 
1 1 1  -32   34    2 o   56.549   24.602   21.877   17.988   13.061   21.707   41.195   32.133   50.977   23.980   60.409   28.643 -9.431667 37.35545 
1 1 1  -32   34    3 o  103.088   22.774   58.412   15.815   32.175   20.715   95.079   24.489   61.795   26.641  114.183   30.435 -52.38753 40.44789 
1 1 1  -32   34    4 o   44.135   20.620   5.0097   15.592 -20.8798   21.471   33.893   22.679   38.544   19.276   60.265   26.858 -21.72074 33.05899 
1 1 1  -32   34    5 o   37.765   17.890  -1.3306   12.480   12.941   27.879  -4.9074   13.957   49.073   24.067   37.273   17.988 11.79923 30.04655 
1 1 1  -32   34    6 o   39.360   19.182  -3.7951   16.902   20.288   27.691 -18.0938   21.337   49.778   24.323   37.896   18.991 11.88139 30.85853 
1 1 1  -32   34    7 o   65.900   23.212   30.975   13.155   9.2976   30.386   35.975   14.594   45.523   22.790   68.697   24.421 -23.17389 33.40310 
1 1 1  -32   34    8 o   46.600   20.433   14.711   12.624   9.8878   29.716   15.773   13.945   43.902   22.056   46.934   20.978 -3.031708 30.43888 
1 1 1  -32   34    9 o   36.149   17.280   1.7196   12.188 -28.8195   29.084   8.2245   13.423  ?   ?    40.302   18.926 0.000000 18.92563 
1 1 1  -32   34   10 o   28.270   14.165 -14.0867   11.859   7.5805   26.098 -19.7254   13.313   39.150   19.788   28.137   14.213 11.01341 24.36292 
1 1 1  -32   36    1 o   81.178   27.301   49.074   18.134   35.859   22.070   76.537   31.816   61.898   27.082   73.543   32.338 -11.64490 42.17992 
1 1 1  -32   36    2 o   42.772   20.257   2.5043   15.985   26.081   22.166 -23.0420   23.073   55.626   25.487   38.932   19.543 16.69358 32.11715 
1 1 1  -32   36    3 o   49.705   22.085   14.561   15.217   11.697   20.404   18.150   22.842   48.212   22.849   51.070   24.195 -2.857967 33.27918 
1 1 1  -32   36    4 o   55.691   21.931   20.119   12.420  -6.6683   26.389   27.741   14.077   43.316   21.618   62.521   23.682 -19.20417 32.06503 
1 1 1  -32   36    5 o   43.115   19.603   7.7921   12.788  -6.2293   28.096   11.456   14.362   43.124   21.635   46.045   20.872 -2.921227 30.06229 
1 1 1  -32   36    6 o   35.714   17.718 -11.5583   16.681 -14.1024   26.957  -9.9797   21.234   40.338   20.358   38.902   19.411 1.436832 28.12853 
1 1 1  -32   36    7 o   58.951   23.560   29.405   14.533   41.424   28.920   25.344   16.809   51.748   25.191   52.373   23.244 -0.6255264 34.27620 
1 1 1  -32   36    8 o   38.983   18.249   5.9916   12.313  -9.6049   27.927   9.7546   13.718   39.000   19.788   41.584   19.399 -2.584000 27.71055 
1 1 1  -32   36    9 o   40.466   19.060   10.611   13.797   25.215   27.785   5.8324   15.895   43.161   21.635   38.341   18.667 4.819824 28.57505 
1 1 1  -32   36   10 o   39.640   18.476   12.267   12.400   15.254   26.939   11.464   13.967   38.749   19.637   38.820   18.541 -0.7147217E-01 27.00687 
1 1 1  -32   38    1 o   41.260   20.051  -1.4451   18.109 -19.9119   22.084   36.459   31.639   38.212   19.173   54.304   26.416 -16.09169 32.64008 
1 1 1  -32   38    2 o   37.926   18.424  -4.8398   15.253   11.835   20.860 -24.0005   22.361   47.223   22.583   37.372   18.821 9.850864 29.39770 
1 1 1  -32   38    3 o   58.907   22.296   23.504   12.472   10.151   26.239   27.402   14.176   46.665   22.978   60.873   23.585 -14.20812 32.92736 
1 1 1  -32   38    4 o   48.712   20.862   15.002   12.545   63.756   28.764   3.5501   13.941   64.049   29.228   40.474   19.093 23.57475 34.91142 
1 1 1  -32   38    5 o   47.947   21.831   16.555   15.932   6.5220   27.786   21.470   19.447   44.272   22.108   49.649   23.139 -5.377033 32.00339 
1 1 1  -32   38    6 o   34.101   16.572  -4.5412   12.373   17.449   26.566 -10.6327   13.982   45.612   22.581   33.106   16.388 12.50654 27.90092 
1 1 1  -32   38    7 o   30.800   15.189  -9.0980   11.607   15.741   24.191 -16.5278   13.230   43.802   21.660   29.933   14.993 13.86945 26.34302 
1 1 1  -32   38    8 o   33.335   16.314  -3.3435   12.606   43.849   25.279 -18.9626   14.543   49.613   24.009   29.854   15.052 19.75949 28.33731 
1 1 1  -32   38    9 o   33.490   16.380  -0.3400   12.650   44.068   27.034 -12.7900   14.314   45.235   22.461   30.356   15.258 14.87899 27.15266 
1 1 1  -32   40    1 o   53.866   23.256   23.519   15.831   38.769   22.264   7.9218   22.516   58.177   26.214   44.635   21.836 13.54288 34.11705 
1 1 1  -32   40    2 o   53.217   21.677   19.849   12.565   63.902   27.838   8.5780   14.081   64.344   29.123   43.228   19.989 21.11584 35.32290 
1 1 1  -32   40    3 o   35.149   16.921  -3.0401   12.165   2.6854   26.492  -4.5700   13.694   43.246   21.595   35.742   17.385 7.503639 27.72288 
1 1 1  -32   40    4 o   39.035   18.289   4.0966   12.414   21.644   27.862  -0.2498   13.867   47.066   23.269   37.493   18.054 9.572945 29.45128 
1 1 1  -32   40    5 o   30.303   15.335 -27.0865   16.040 -39.0488   28.417 -21.4929   19.432  ?   ?    34.101   17.219 0.000000 17.21872 
1 1 1  -32   40    6 o   68.978   22.569   34.791   12.414   54.049   26.790   29.525   14.009   54.590   25.962   57.623   23.095 -3.032963 34.74792 
1 1 1  -32   40    7 o   29.100   14.510 -12.4915   11.778 -35.0537   23.000  -4.4714   13.713  ?   ?    33.650   16.577 0.000000 16.57704 
1 1 1  -32   40    8 o   33.348   16.818 -10.2426   18.220  -0.8712   23.960 -23.0927   28.057   36.798   18.635  ?   ?  0.000000 18.63465 
1 1 1  -32   42    1 o   37.299   17.894   0.4385   13.329  -3.3483   28.194   1.5284   15.126   41.435   20.900   38.800   18.725 2.635418 28.06097 
1 1 1  -32   42    2 o   42.988   19.481   10.316   12.502   56.829   25.713  -4.0832   14.307   60.130   27.514   35.792   17.488 24.33830 32.60132 
1 1 1  -32   42    3 o   40.695   18.798   7.5934   12.405 -55.0244   27.407   23.728   13.912  ?   ?    53.278   22.354 0.000000 22.35372 
1 1 1  -32   42    4 o   35.071   17.379  -7.3074   15.879   5.2683   26.223 -14.5877   19.953   41.566   20.861   35.466   17.850 6.100758 27.45507 
1 1 1  -32   42    5 o   38.702   18.119   6.3484   12.145 -25.4293   25.903   15.302   13.750  ?   ?    44.644   20.309 0.000000 20.30889 
1 1 1  -32   42    6 o   44.646   19.713   15.590   11.939   25.449   25.317   12.771   13.539   43.792   21.743   41.843   19.437 1.949039 29.16399 
1 1 1  -32   42    7 o   36.007   17.228   5.0252   12.173   20.439   23.561  -0.5877   14.218   41.077   20.488   34.257   16.877 6.819637 26.54443 
1 1 1  -32   44    1 o   54.683   22.121   25.059   12.982   38.200   25.269   20.347   15.132   49.979   24.140   47.992   21.619 1.987629 32.40611 
1 1 1  -32   44    2 o   31.267   15.541 -11.2746   13.074   13.780   24.510 -21.2389   15.457   42.762   21.258   30.576   15.429 12.18543 26.26738 
1 1 1  -32   44    3 o   34.243   16.603  -1.6044   12.233   11.137   27.138  -4.8535   13.704   41.676   20.955   33.891   16.672 7.785095 26.77815 
1 1 1  -32   44    4 o   38.407   18.629   5.5061   15.436  -0.8424   26.507   8.7638   18.988   38.765   19.628   40.089   19.702 -1.323433 27.81013 
1 1 1  -32   44    5 o   40.510   18.650   11.207   12.062  -3.4137   25.971   15.228   13.620   37.375   18.976   42.753   19.731 -5.378254 27.37497 
1 1 1  -32   44    6 o   41.600   18.924   14.236   11.938   7.2537   24.580   16.392   13.657   37.817   19.122   42.136   19.555 -4.319504 27.35029 
1 1 1  -32   46    1 o   41.536   18.943   12.040   12.059   17.063   25.264   10.558   13.723   41.608   20.823   40.306   18.992 1.301319 28.18335 
1 1 1  -32   46    2 o   32.729   15.954  -2.3685   11.709   2.9922   24.858  -3.8971   13.274   38.523   19.454   33.162   16.332 5.360928 25.40049 
1 1 1  -32   46    3 o  ?   ?  -30.3277   19.014 -44.3707   24.432  -8.7610   30.278  ?   ?   ?   ?  0.000000      ? 
1 1 1  -32   46    4 o   29.490   14.801 -12.8936   13.217   19.400   26.137 -23.9893   15.320   40.264   20.286   28.530   14.494 11.73359 24.93162 
1 1 1  -32   46    5 o   38.039   17.796   10.110   11.681 -17.2976   24.589   18.098   13.275  ?   ?    42.625   19.601 0.000000 19.60149 
1 1 1  -32   48    1 o   33.282   16.256   0.4173   12.336   29.893   26.410  -7.8078   13.951   41.488   20.837   31.213   15.599 10.27521 26.02860 
1 1 1  -32   48    2 o   39.610   18.289   12.217   11.725   79.073   27.479  -2.6659   12.965   53.202   25.568   32.202   15.912 20.99963 30.11494 
1 1 1  -32   48    3 o   31.488   15.765  -6.4980   14.552  -1.2639   24.991  -9.1832   17.900  ?   ?    32.343   16.351 0.000000 16.35073 
1 1 1  -31    1    1 o   34.778   17.122 -27.4014   14.554  -4.0672   20.228 -52.4466   20.957   55.029   24.873   37.582   18.831 17.44650 31.19782 
1 1 1  -31    1    2 f   70.857   26.203   18.830   17.020   14.939   21.420   25.493   28.030   69.738   28.342   81.637   32.687 -11.89903 43.26350 
1 1 1  -31    1    3 o   57.680   25.633   0.4892   20.510  -5.0585   29.185   5.9024   28.829   63.371   29.113   68.605   30.444 -5.234325 42.12373 
1 1 1  -31    1    4 o   72.704   26.166   21.487   16.804   14.165   23.094   29.724   24.496   68.881   28.845   82.350   31.229 -13.46908 42.51194 
1 1 1  -31    1    5 o   42.307   20.143 -14.6917   16.217 -17.2431   23.111 -12.2170   22.761   50.390   24.007   52.139   24.535 -1.748474 34.32631 
1 1 1  -31    1    6 o   62.644   25.028   14.157   16.395  -7.2770   22.859   36.863   23.528   53.699   25.047   85.833   30.954 -32.13485 39.81827 
1 1 1  -31    1    7 o   58.876   24.590   11.079   16.719 -14.7587   23.923   35.744   23.374   50.586   24.190   82.621   30.677 -32.03509 39.06675 
1 1 1  -31    1    8 o   70.458   26.549   24.034   17.633   27.126   25.181   21.060   24.700   72.506   30.221   68.205   29.243 4.300987 42.05285 
1 1 1  -31    1    9 o   47.175   23.134 -23.0639   25.735 -24.3317   35.349 -21.6341   37.538   53.509   26.409   55.278   27.269 -1.769371 37.96101 
1 1 1  -31    1   10 o   38.504   19.233 -34.8381   21.088 -15.5726   26.180 -70.4390   35.588   48.304   23.613   43.934   22.297 4.370064 32.47618 
1 1 1  -31    1   11 o   58.376   25.239   18.142   18.698   11.752   26.536   24.443   26.350   55.967   26.383   61.790   28.111 -5.823360 38.55242 
1 1 1  -31    1   12 o   49.645   22.950   8.4831   18.542   19.099   26.219  -2.1391   26.226   55.923   26.321   48.384   23.648 7.538971 35.38373 
1 1 1  -31    1   13 f   39.357   19.236  -8.3701   17.353  -7.5344   24.002  -9.2853   25.118   43.614   21.569   43.661   21.674 -0.4658890E-01 30.57743 
1 1 1  -31    1   14 o   42.045   20.383   1.9472   18.419 -17.6488   29.861   13.981   23.400   41.465   20.977   47.416   22.984 -5.951019 31.11761 
1 1 1  -31    1   15 o   33.164   16.505 -11.6350   14.943   4.0783   21.762 -25.6516   20.554   40.916   20.288   33.731   17.100 7.185791 26.53346 
1 1 1  -31    3    1 o   39.458   18.897 -17.0512   14.722  -3.1449   20.610 -31.5387   21.037   56.007   25.230   43.589   21.277 12.41788 33.00436 
1 1 1  -31    3    2 o   83.631   26.624   29.374   17.351   40.147   21.633   9.9463   29.052   95.429   29.639   71.606   31.207 23.82330 43.03897 
1 1 1  -31    3    3 o   50.086   23.472 -12.7889   20.470 -23.9317   29.122  -1.9073   28.779   55.630   26.625   64.418   29.334 -8.788414 39.61516 
1 1 1  -31    3    4 o   67.102   26.204   16.146   17.606   23.168   21.866   3.2039   29.686   75.723   29.305   66.773   30.162 8.950676 42.05333 
1 1 1  -31    3    5 o   72.624   25.509   22.330   15.880   37.794   21.985   5.4611   22.962   89.223   30.060   61.699   27.285 27.52425 40.59673 
1 1 1  -31    3    6 o   64.069   25.043   15.751   16.092   12.057   22.625   19.532   22.891   64.612   27.849   70.266   29.011 -5.654266 40.21452 
1 1 1  -31    3    7 o   77.516   26.540   28.572   17.139   48.792   23.845   6.9614   24.652   95.458   31.282   61.289   27.603 34.16877 41.71926 
1 1 1  -31    3    8 o  111.007   23.888   56.281   17.809   74.070   25.331   38.895   25.043  117.829   30.739   81.859   31.447 35.97093 43.97532 
1 1 1  -31    3    9 o   42.775   21.324 -38.5122   25.378 -44.7951   34.679 -31.2683   37.236   48.780   24.410   52.979   26.315 -4.199036 35.89333 
1 1 1  -31    3   10 o   63.044   27.010   21.166   21.043   56.732   35.660   2.1631   26.065   78.932   34.482   54.282   25.755 24.65030 43.03897 
1 1 1  -31    3   11 o   73.637   29.024   38.627   21.772   63.707   37.360   25.728   26.792   75.394   33.966   62.274   28.337 13.12000 44.23408 
1 1 1  -31    3   12 o   60.516   25.428   24.306   18.044   42.194   24.939   4.6550   26.140   68.703   29.418   50.423   24.404 18.27914 38.22322 
1 1 1  -31    3   13 o   68.457   26.583   37.015   18.041   11.152   24.949   65.362   26.119   49.556   23.949   77.694   31.395 -28.13872 39.48681 
1 1 1  -31    3   14 o   39.613   19.503  -5.3615   18.881 -37.8049   30.850   14.071   23.875  ?   ?    47.368   23.020 0.000000 23.01988 
1 1 1  -31    3   15 o   39.565   19.324   3.2242   17.425   3.1562   22.419   3.3278   27.696   40.713   20.255   41.522   20.915 -0.8083229 29.11518 
1 1 1  -31    5    1 o   81.393   24.780   27.298   15.212   13.237   20.859   43.270   22.232   67.923   27.828   98.933   29.921 -31.00980 40.86127 
1 1 1  -31    5    2 o   89.367   26.796   34.073   17.887   31.886   22.273   38.044   30.019   85.867   30.207   91.537   34.604 -5.669220 45.93413 
1 1 1  -31    5    3 o   74.588   28.469   21.741   20.442   34.620   29.141   9.2634   28.683   87.710   33.862   70.052   30.756 17.65791 45.74400 
1 1 1  -31    5    4 o   75.150   29.079   22.878   21.528   22.878   21.528   0.0000   0.0000   75.150   29.079  ?   ?  0.000000 29.07850 
1 1 1  -31    5    5 o   57.364   24.040   8.1737   16.059  -8.7641   22.204   26.750   23.253   52.949   24.694   77.735   30.181 -24.78545 38.99615 
1 1 1  -31    5    6 o   44.904   21.016  -8.8604   16.315   12.759   22.697 -31.9722   23.467   64.963   27.947   44.840   22.009 20.12307 35.57346 
1 1 1  -31    5    7 o   81.838   26.299   32.017   16.901   33.793   23.852   30.228   23.950   80.246   30.723   77.096   30.424 3.150055 43.23838 
1 1 1  -31    5    8 o   48.394   23.619 -22.9627   25.896 -52.9268   36.733   6.6439   36.513   49.967   25.021   64.620   30.608 -14.65331 39.53389 
1 1 1  -31    5    9 o   38.757   19.018 -22.0469   17.479 -57.6950   25.740   8.4567   23.810   39.111   19.757   57.940   26.499 -18.82859 33.05332 
1 1 1  -31    5   10 o   76.144   28.826   36.593   20.849   37.995   35.398   35.848   25.799   69.858   32.082   72.012   30.339 -2.154137 44.15544 
1 1 1  -31    5   11 o   56.261   25.384   15.120   20.957   13.542   24.691   19.185   39.633   56.084   26.117   59.542   29.095 -3.457691 39.09742 
1 1 1  -31    5   12 o   47.094   21.917   5.1770   17.345 -10.1318   23.588   23.199   25.593   44.530   21.899   57.453   26.699 -12.92257 34.53159 
1 1 1  -31    5   13 o   37.653   18.583 -13.2720   17.499 -26.4454   24.267   0.9996   25.258   39.181   19.715   46.267   22.735 -7.086262 30.09262 
1 1 1  -31    5   14 o   41.991   20.163   3.5684   17.010 -26.2848   24.601   30.913   23.545   37.659   19.050   53.843   25.214 -16.18441 31.60186 
1 1 1  -31    5   15 o   36.003   17.899  -7.0943   17.374  -1.8554   21.342 -17.3902   29.919   39.030   19.473  ?   ?  0.000000 19.47279 
1 1 1  -31    7    1 o   84.448   25.974   29.976   16.660   22.209   20.814   43.824   27.794   75.812   28.777   96.984   33.765 -21.17199 44.36462 
1 1 1  -31    7    2 o   75.565   26.960   23.121   17.802   21.755   22.283   25.532   29.595   75.630   29.495   81.395   33.224 -5.764687 44.42730 
1 1 1  -31    7    3 o   60.714   26.380   5.3858   20.629 -11.2878   27.508   26.815   31.185   58.505   27.352   81.859   33.834 -23.35444 43.50690 
1 1 1  -31    7    4 f  112.236   20.690   50.640   15.480   34.914   20.950   69.552   22.975   87.276   29.344  126.028   27.142 -38.75149 39.97205 
1 1 1  -31    7    5 f   55.329   23.650   6.0162   16.066   6.7841   22.600   5.2315   22.845   61.827   27.219   61.052   27.096 0.7752609 38.40659 
1 1 1  -31    7    6 o   58.774   24.390   10.586   16.298  -7.8128   22.614   30.471   23.510   52.836   24.733   79.014   30.440 -26.17811 39.22078 
1 1 1  -31    7    7 o   56.597   24.166   8.8245   16.744   13.188   24.159   4.7916   23.227   64.261   28.219   58.726   26.589 5.534626 38.77262 
1 1 1  -31    7    8 o   67.004   27.739   21.005   21.010   45.565   25.307 -33.4585   37.687   86.947   31.988   54.164   26.829 32.78292 41.74914 
1 1 1  -31    7    9 o   83.512   26.651   37.228   17.379   21.440   25.399   51.126   23.831   65.434   28.829   90.466   31.278 -25.03220 42.53741 
1 1 1  -31    7   10 o   49.542   23.244   0.0377   20.168   37.273   35.491 -17.7197   24.509   69.065   31.865   46.086   22.595 22.97882 39.06337 
1 1 1  -31    7   11 f   36.600   18.172 -24.2230   17.687  -8.6402   23.720 -43.7391   26.545   46.754   22.772   40.224   20.288 6.530739 30.49833 
1 1 1  -31    7   12 o   42.031   20.254  -5.1730   17.531 -14.9317   24.045   5.9003   25.614   43.290   21.440   50.286   24.293 -6.995415 32.40094 
1 1 1  -31    7   13 o   37.084   18.471 -18.5753   18.869   12.302   30.587 -37.5459   23.974   49.968   24.644   36.783   18.629 13.18530 30.89217 
1 1 1  -31    7   14 o   36.721   18.107  -8.8062   16.485   3.3321   23.263 -21.0502   23.364   43.582   21.494   37.840   19.079 5.741825 28.73992 
1 1 1  -31    7   15 f   34.585   16.976  -4.6498   13.964   23.073   31.444 -11.4599   15.585   44.599   22.442   33.434   16.674 11.16486 27.95806 
1 1 1  -31    9    1 o   70.375   26.192   18.814   17.059   21.075   20.838   14.220   29.705   74.334   28.652   73.926   31.887 0.4075165 42.86872 
1 1 1  -31    9    2 o   51.875   24.143 -10.3753   21.049   7.4146   28.660 -31.2098   31.016   68.883   30.472   54.963   26.597 13.92038 40.44633 
1 1 1  -31    9    3 o   83.921   29.546   31.458   21.312   20.800   28.832   44.298   31.644   76.423   32.129   94.043   35.535 -17.62035 47.90563 
1 1 1  -31    9    4 o   44.537   20.604  -7.2460   14.988  -4.7838   20.907  -9.8488   21.496   53.827   24.696   51.880   24.229 1.946095 34.59697 
1 1 1  -31    9    5 o   40.516   19.367 -14.8099   15.303  -2.8928   20.700 -29.1739   22.726   53.959   24.689   45.124   22.046 8.835411 33.09933 
1 1 1  -31    9    6 o   56.299   23.833   8.3077   16.043 -10.8141   22.764   27.178   22.614   51.411   24.297   75.673   29.657 -24.26232 38.33900 
1 1 1  -31    9    7 o  106.348   27.495   55.174   20.386   27.166   35.630   68.806   24.857   74.342   33.358  114.768   30.696 -40.42635 45.33215 
1 1 1  -31    9    8 o   75.619   28.784   31.072   20.860  -4.3924   24.650  120.537   39.151   53.596   25.315  130.415   39.765 -76.81943 47.13955 
1 1 1  -31    9    9 o   57.229   24.452   12.842   17.162  -9.9435   24.409   35.122   24.136   49.788   23.969   74.804   30.197 -25.01601 38.55334 
1 1 1  -31    9   10 o   56.371   25.312   12.577   20.550   56.780   35.999  -8.7904   25.029   76.950   34.090   49.048   23.774 27.90160 41.56143 
1 1 1  -31    9   11 o   52.024   23.404   10.519   17.665   10.950   23.594   9.9685   26.649   54.023   25.280   54.354   25.863 -0.3313179 36.16573 
1 1 1  -31    9   12 o   41.692   20.449 -10.8502   20.133 -11.0836   25.156 -10.4341   33.582   44.692   22.098   48.174   24.094 -3.481415 32.69307 
1 1 1  -31    9   13 o   43.338   20.971   0.2836   19.278 -18.3024   30.606   12.507   24.821   43.324   21.843   49.245   23.821 -5.920906 32.31916 
1 1 1  -31    9   14 o   37.811   18.774  -9.7843   18.883   18.278   30.750 -26.7731   23.926   47.527   23.657   36.879   18.670 10.64790 30.13655 
1 1 1  -31    9   15 o   33.558   16.598  -7.4172   14.236 -96.4878   32.667   13.465   15.817  ?   ?    43.226   20.375 0.000000 20.37496 
1 1 1  -31   11    1 o  120.784   21.324   58.312   17.174   48.094   20.963   79.171   29.950  104.059   28.340  129.193   33.288 -25.13458 43.71805 
1 1 1  -31   11    2 o   59.796   26.309   3.7175   21.086   9.3268   28.306  -3.2761   31.606   69.158   30.453   65.286   30.104 3.871223 42.82135 
1 1 1  -31   11    3 f  136.825   20.918   74.992   19.180  119.951   31.780   49.234   24.055  164.158   29.034  101.472   31.211 62.68674 42.62702 
1 1 1  -31   11    4 o   56.876   23.628   8.4412   15.320  -8.7021   21.047   27.763   22.344   51.635   24.068   78.529   29.814 -26.89399 38.31641 
1 1 1  -31   11    5 o   80.243   25.236   28.962   15.628   33.910   21.617   23.543   22.620   83.447   29.715   73.496   29.386 9.951355 41.79153 
1 1 1  -31   11    6 o   91.766   25.060   38.658   16.365   28.790   23.573   47.838   22.736   76.483   30.184   96.004   30.467 -19.52084 42.88713 
1 1 1  -31   11    7 o   70.955   29.434   24.341   23.725   24.341   23.725   0.0000   0.0000   70.955   29.434  ?   ?  0.000000 29.43413 
1 1 1  -31   11    8 o   49.788   22.749   0.6270   17.494   25.236   24.400 -25.4052   25.095   69.402   29.386   46.315   22.739 23.08691 37.15649 
1 1 1  -31   11    9 o   66.432   25.819   23.167   17.030   28.806   23.812   17.264   24.364   69.440   29.196   61.904   27.695 7.536243 40.24156 
1 1 1  -31   11   10 o   69.197   27.821   30.347   20.398   3.5898   35.914   43.088   24.783   56.920   27.788   76.439   30.689 -19.51849 41.40079 
1 1 1  -31   11   11 o   38.802   19.008 -15.0755   17.235 -20.8676   24.689  -9.5704   24.069   43.362   21.519   46.126   22.567 -2.763378 31.18290 
1 1 1  -31   11   12 o   81.435   28.789   50.835   20.254   30.654   34.366   61.577   25.072   57.394   27.829   80.924   31.362 -23.53006 41.92847 
1 1 1  -31   11   13 o   40.564   19.671  -3.1196   17.187 -31.7067   24.203   25.961   24.411   37.590   19.004   53.992   25.408 -16.40171 31.72865 
1 1 1  -31   11   14 o   51.454   22.034   19.678   13.991   16.629   32.560   20.369   15.495   46.643   23.386   50.995   22.490 -4.352451 32.44514 
1 1 1  -31   11   15 o   33.827   16.742  -6.6051   14.573   10.137   32.856 -10.7054   16.260   41.565   21.126   33.660   16.824 7.905090 27.00711 
1 1 1  -31   13    1 o   76.636   25.123   24.847   15.380   37.893   20.594   8.3945   23.126   91.207   29.002   64.527   27.983 26.68037 40.30101 
1 1 1  -31   13    2 o   44.915   21.155 -12.2131   16.994 -26.8488   26.156  -1.5215   22.355   50.589   24.466   57.442   26.039 -6.852554 35.73014 
1 1 1  -31   13    3 o   96.535   24.242   40.107   16.174   36.282   22.341   44.320   23.445   87.452   30.282   95.548   31.004 -8.095543 43.33886 
1 1 1  -31   13    4 o   35.296   17.393 -26.6476   15.131 -16.4250   20.399 -39.1503   22.559   46.994   22.434   41.966   20.781 5.028278 30.58050 
1 1 1  -31   13    5 o   44.348   20.666  -7.5545   15.501  -3.6577   22.105 -11.3247   21.744   54.318   25.092   50.263   23.751 4.054901 34.55051 
1 1 1  -31   13    6 o   77.866   25.664   28.592   16.041   4.0379   22.546   53.766   22.828   57.939   26.218  101.772   30.217 -43.83253 40.00515 
1 1 1  -31   13    7 o   79.412   28.319   33.137   19.640   39.242   23.146   17.439   37.115   83.335   30.601   68.880   32.057 14.45504 44.31827 
1 1 1  -31   13    8 o   60.565   24.855   15.915   16.675   2.1301   22.068   34.262   25.458   53.994   24.987   75.069   30.748 -21.07478 39.62038 
1 1 1  -31   13    9 o   43.728   20.703  -6.3955   16.667  -9.0704   22.719  -3.2776   24.528   48.164   23.171   51.674   24.650 -3.510513 33.83081 
1 1 1  -31   13   10 o   66.422   27.145   27.550   19.786   39.541   37.410   22.892   23.314   67.142   31.551   62.023   27.458 5.118774 41.82546 
1 1 1  -31   13   11 o   49.388   23.289   4.9084   20.705   57.122   39.514 -14.8540   24.310   67.658   31.986   44.376   21.901 23.28238 38.76504 
1 1 1  -31   13   12 o   35.240   17.688 -28.4084   18.880 -70.6829   34.101  -9.7203   22.673  ?   ?    43.084   21.242 0.000000 21.24248 
1 1 1  -31   13   13 o  ?   ?  -44.8688   19.587 -33.5854   32.999 -51.0066   24.338  ?   ?   ?   ?  0.000000      ? 
1 1 1  -31   13   14 o   35.494   17.349  -5.5352   14.124 -11.1415   30.560  -4.0124   15.927   41.222   20.893   37.357   18.295 3.864655 27.77062 
1 1 1  -31   13   15 o   59.153   24.331   37.769   16.025   23.663   30.998   42.914   18.721   42.996   21.715   57.542   25.065 -14.54535 33.16310 
1 1 1  -31   15    1 o   48.108   21.747  -2.8856   15.467 -18.3272   21.384   14.057   22.399   47.940   22.909   67.437   28.333 -19.49694 36.43596 
1 1 1  -31   15    2 o  123.656   21.502   62.457   17.734   31.239   28.626   81.899   22.591   82.044   32.968  139.081   24.356 -57.03754 40.98912 
1 1 1  -31   15    3 o  115.625   20.260   54.201   15.622   53.618   20.771   54.960   23.705  108.113   27.649  106.168   30.590 1.944725 41.23347 
1 1 1  -31   15    4 o  109.997   21.395   50.484   15.701   58.366   21.937   42.205   22.483  111.130   28.412   91.680   30.391 19.45037 41.60344 
1 1 1  -31   15    5 o   31.130   15.652 -39.3269   15.135 -63.8539   21.562 -15.5033   21.250   34.730   17.597   47.589   22.768 -12.85913 28.77529 
1 1 1  -31   15    6 o   92.900   26.879   42.246   18.268   44.765   22.566   37.459   31.115   90.936   30.456   80.037   33.497 10.89879 45.27224 
1 1 1  -31   15    7 o   76.057   27.967   30.585   19.341   44.936   23.081  -3.2498   35.439   88.136   30.765   60.411   29.034 27.72478 42.30167 
1 1 1  -31   15    8 o   46.709   21.571  -1.4977   16.323   5.9066   21.592 -11.3720   24.935   55.192   25.239   49.951   24.091 5.240990 34.89099 
1 1 1  -31   15    9 o   55.460   23.842   12.472   16.496  -6.5138   22.900   32.949   23.782   48.869   23.447   70.946   29.453 -22.07764 37.64641 
1 1 1  -31   15   10 f   51.826   23.966   7.2321   20.246  -9.4732   37.977   13.865   23.930   53.242   26.468   56.382   26.067 -3.140118 37.14871 
1 1 1  -31   15   11 o   49.359   23.131   6.5810   19.877 -83.1707   38.056   40.252   23.309  ?   ?    69.521   29.035 0.000000 29.03462 
1 1 1  -31   15   12 o   46.901   21.717   8.0233   16.705   7.6536   25.406   8.3049   22.171   49.030   23.808   48.570   23.242 0.4597702 33.27205 
1 1 1  -31   15   13 o   55.891   23.055   22.564   14.439   32.859   34.355   20.356   15.912   52.344   25.871   52.851   23.063 -0.5069695 34.65825 
1 1 1  -31   15   14 o   48.479   21.472   17.767   14.274   30.878   30.319   14.034   16.178   48.438   24.005   45.376   21.134 3.062523 31.98267 
1 1 1  -31   15   15 o   36.381   17.797   1.9351   14.951 -10.3415   32.392   5.2584   16.854  ?   ?    38.126   18.701 0.000000 18.70146 
1 1 1  -31   17    1 o   49.326   22.207  -1.5428   15.937  -6.5138   21.705   4.2713   23.474   53.300   24.707   60.931   27.227 -7.630287 36.76588 
1 1 1  -31   17    2 o   38.631   19.010 -29.2686   17.866   20.024   29.067 -59.2003   22.650   73.367   31.595   37.355   18.828 36.01228 36.77935 
1 1 1  -31   17    3 o  128.307   18.264   65.297   15.761   53.698   21.294   79.351   23.438  106.469   28.381  133.101   26.375 -26.63230 38.74452 
1 1 1  -31   17    4 o   93.282   24.145   38.892   15.709   33.895   21.672   44.426   22.804   82.264   29.701   92.772   30.600 -10.50797 42.64438 
1 1 1  -31   17    5 o   35.049   17.306 -26.3922   15.245 -44.0804   21.192  -7.4175   21.949   38.217   19.118   51.464   24.178 -13.24695 30.82317 
1 1 1  -31   17    6 o   90.510   28.004   42.168   19.333   54.917   22.932   10.839   35.948  100.641   30.377   66.343   31.096 34.29776 43.47112 
1 1 1  -31   17    7 o   40.136   19.332 -14.0753   15.929  -9.4368   21.719 -19.4739   23.431   48.655   23.206   46.536   22.658 2.119602 32.43288 
1 1 1  -31   17    8 o   64.262   25.076   20.773   16.113   5.3771   21.609   40.058   24.184   54.351   24.999   78.407   30.686 -24.05629 39.58020 
1 1 1  -31   17    9 o   90.049   24.978   42.898   16.113   44.770   22.368   40.879   23.231   81.374   30.050   76.740   30.064 4.633461 42.50710 
1 1 1  -31   17   10 o   62.257   26.099   24.026   18.939   75.512   34.373   1.5819   22.694   83.256   35.045   49.790   23.740 33.46531 42.32856 
1 1 1  -31   17   11 o   55.639   25.876   19.467   24.111   0.0000   0.0000   19.467   24.111  ?   ?    55.639   25.876 0.000000 25.87581 
1 1 1  -31   17   12 o   37.133   17.849  -5.1267   13.405   11.639   34.222  -8.1656   14.569   50.439   25.082   36.909   17.947 13.53031 30.84218 
1 1 1  -31   17   13 f   35.435   17.227  -6.2168   13.407   36.634   31.296 -15.8492   14.838   53.124   25.936   33.227   16.522 19.89626 30.75153 
1 1 1  -31   17   14 o  ?   ?  -37.8824   15.607 -10.4098   28.947 -49.1409   18.531   39.815   20.196  ?   ?  0.000000 20.19610 
1 1 1  -31   19    1 o   61.519   25.342   12.431   17.417   19.961   28.290   7.8350   22.102   72.336   31.160   61.353   26.966 10.98321 41.20796 
1 1 1  -31   19    2 o   92.676   26.934   40.216   18.306  101.415   29.191   0.5464   23.502  145.661   29.955   57.923   26.427 87.73837 39.94648 
1 1 1  -31   19    3 o   81.380   24.656   30.090   15.087   31.559   21.017   28.529   21.670   80.053   29.196   76.894   29.321 3.158691 41.37795 
1 1 1  -31   19    4 o   73.525   27.180   25.573   18.310   7.0585   31.332   35.174   22.563   64.897   29.942   82.087   30.203 -17.18948 42.52910 
1 1 1  -31   19    5 o   31.496   15.885 -43.7220   16.260 -38.4472   22.236 -49.7840   23.838   40.603   20.196   39.731   19.933 0.8723907 28.37547 
1 1 1  -31   19    6 o   95.226   27.276   46.289   18.897   61.037   22.287   8.5707   35.642  107.491   29.199   64.342   30.406 43.14901 42.15583 
1 1 1  -31   19    7 o   47.355   21.519   0.8728   15.385  -8.7099   20.068   14.535   23.961   46.944   22.366   61.376   27.461 -14.43155 35.41688 
1 1 1  -31   19    8 f   41.277   19.752  -9.7643   16.012 -10.1971   22.629  -9.3304   22.659   47.587   22.950   47.935   23.081 -0.3476677 32.54881 
1 1 1  -31   19    9 o   76.806   25.861   34.019   16.272   20.253   23.759   46.181   22.331   60.560   27.203   81.438   30.035 -20.87811 40.52226 
1 1 1  -31   19   10 o   56.692   24.888   17.827   18.780   18.161   34.912   17.691   22.278   57.384   27.875   56.610   25.790 0.7738266 37.97611 
1 1 1  -31   19   11 o   72.800   29.680   48.320   23.584   0.0000   0.0000   48.320   23.584  ?   ?    72.800   29.680 0.000000 29.68022 
1 1 1  -31   19   12 o   42.367   19.506   4.8094   13.198   12.234   31.016   3.1677   14.584   49.506   24.489   42.156   19.774 7.350487 31.47583 
1 1 1  -31   19   13 o   32.474   16.063 -12.6928   13.341 -14.8780   29.091 -12.1108   15.013   41.147   20.805   34.319   16.987 6.827339 26.85930 
1 1 1  -31   19   14 o   49.496   22.105   22.485   15.449   30.956   28.157   18.836   18.478   46.892   23.220   45.728   21.693 1.163734 31.77682 
1 1 1  -31   21    1 o   80.307   27.110   30.714   17.882   59.122   28.537   12.348   22.945  102.004   34.249   64.058   27.827 37.94641 44.12826 
1 1 1  -31   21    2 o   49.672   22.173   1.0135   15.524 -20.7547   21.399   25.196   22.555   45.672   22.099   73.405   29.346 -27.73305 36.73603 
1 1 1  -31   21    3 o   93.176   26.878   41.886   18.291   13.673   30.868   57.151   22.706   67.573   30.618  105.911   29.749 -38.33817 42.69018 
1 1 1  -31   21    4 o   67.991   28.443   20.369   22.420   20.369   22.420   0.0000   0.0000   67.991   28.443  ?   ?  0.000000 28.44251 
1 1 1  -31   21    5 o   35.302   17.497 -28.3928   16.119 -34.6618   21.167 -19.7387   24.870   40.038   19.879   48.409   23.518 -8.370251 30.79436 
1 1 1  -31   21    6 o   40.426   19.400 -12.6062   15.697   6.3135   20.616 -38.7062   24.214   55.504   25.097   41.802   20.837 13.70196 32.62004 
1 1 1  -31   21    7 o   60.114   24.214   16.707   15.482   34.612   20.411  -7.5528   23.759   76.459   28.612   50.015   23.967 26.44346 37.32330 
1 1 1  -31   21    8 o   57.501   23.621   15.474   15.080   36.774   20.910  -7.6136   21.770   75.723   28.819   47.332   22.750 28.39043 36.71666 
1 1 1  -31   21    9 o   58.616   24.295   18.379   16.144  -3.8513   23.513   38.206   22.206   48.565   23.415   72.741   29.105 -24.17624 37.35446 
1 1 1  -31   21   10 o   52.932   24.660   12.373   22.049   0.0000   0.0000   12.373   22.049  ?   ?    52.932   24.660 0.000000 24.65951 
1 1 1  -31   21   11 o   38.752   18.408  -2.8390   13.391   0.0000   0.0000  -2.8390   13.391  ?   ?    38.752   18.408 0.000000 18.40809 
1 1 1  -31   21   12 o   36.151   17.477  -5.6018   13.313 -90.8781   32.771   11.254   14.570  ?   ?    46.785   21.132 0.000000 21.13171 
1 1 1  -31   21   13 o   54.418   22.959   24.117   14.808   53.122   26.866   11.461   17.747   59.121   27.434   44.771   21.245 14.34972 34.69810 
1 1 1  -31   21   14 o   40.011   18.865   8.4030   13.576   12.151   27.313   7.1730   15.646   41.762   21.002   39.671   19.120 2.091400 28.40172 
1 1 1  -31   23    1 o   67.756   25.949   20.449   17.019   31.112   28.220   14.353   21.336   76.927   32.022   63.705   27.243 13.22184 42.04238 
1 1 1  -31   23    2 o   62.647   24.625   16.132   15.632   11.543   21.840   20.951   22.383   61.735   26.977   68.777   28.565 -7.042919 39.29018 
1 1 1  -31   23    3 o   74.193   30.060   28.502   24.012 -22.1512   32.803   86.976   35.245   54.571   26.623  113.650   38.062 -59.07830 46.44897 
1 1 1  -31   23    4 o   38.365   18.711 -19.9599   16.166 -46.6063   21.936   11.718   23.917   37.997   19.071   61.648   27.520 -23.65049 33.48177 
1 1 1  -31   23    5 o   40.833   19.957 -21.3300   18.682 -25.9091   21.848  -8.8780   36.028   42.937   21.108   58.357   28.341 -15.42032 35.33773 
1 1 1  -31   23    6 o   58.758   24.196   14.848   15.870   16.239   21.083   13.030   24.107   61.273   26.646   60.188   27.184 1.084991 38.06551 
1 1 1  -31   23    7 o   50.464   22.310   6.6533   15.341   7.2465   22.006   6.0924   21.398   54.804   25.215   53.881   24.818 0.9239197 35.37984 
1 1 1  -31   23    8 o  106.533   22.286   55.001   15.904   52.771   21.569   57.658   23.545   90.001   29.763   91.300   31.107 -1.298645 43.05225 
1 1 1  -31   23    9 o   47.188   21.613   4.6438   15.921   36.196   21.829 -31.2155   23.272   69.920   28.536   39.910   19.975 30.00964 34.83266 
1 1 1  -31   23   10 o   60.567   27.008   28.568   22.969   0.0000   0.0000   28.568   22.969  ?   ?    60.567   27.008 0.000000 27.00810 
1 1 1  -31   23   11 o   47.646   21.163   10.865   13.961   0.0000   0.0000   10.865   13.961  ?   ?    47.646   21.163 0.000000 21.16279 
1 1 1  -31   23   12 o   26.159   13.290 -34.1321   12.891 -62.4878   29.219 -27.2784   14.365  ?   ?    29.596   14.927 0.000000 14.92676 
1 1 1  -31   23   13 f   30.135   15.175 -22.2882   14.522 -24.9219   27.348 -21.2540   17.138   37.640   19.145   32.734   16.484 4.906727 25.26375 
1 1 1  -31   23   14 o   26.898   13.651 -26.0001   13.339  -1.5073   25.138 -35.6002   15.738   38.040   19.244  ?   ?  0.000000 19.24437 
1 1 1  -31   25    1 f   63.129   25.357   16.833   16.928   60.439   27.488  -9.8053   21.485  100.098   33.613   49.215   23.360 50.88322 40.93362 
1 1 1  -31   25    2 f   54.543   23.221   8.6763   15.376  -4.7926   22.109   21.296   21.400   51.889   24.342   67.701   28.009 -15.81146 37.10818 
1 1 1  -31   25    3 o   50.882   23.232   0.6707   18.204   17.669   22.056 -35.6537   32.242   64.515   27.647   49.967   24.761 14.54831 37.11422 
1 1 1  -31   25    4 o   63.299   25.445   18.324   17.060   15.386   23.287   21.727   25.064   62.538   27.576   66.942   29.081 -4.403854 40.07691 
1 1 1  -31   25    5 o   76.320   27.231   31.918   18.162   32.719   20.906   29.454   36.668   75.172   28.767   69.766   32.259 5.406113 43.22290 
1 1 1  -31   25    6 o   48.570   21.881   3.5580   15.503   8.1716   20.746  -2.2764   23.330   55.049   25.005   51.441   24.395 3.608067 34.93394 
1 1 1  -31   25    7 o   40.123   19.229  -9.4350   15.306   4.8743   21.377 -24.4859   21.925   52.394   24.366   41.695   20.619 10.69873 31.91926 
1 1 1  -31   25    8 o   91.883   24.138   44.820   15.549   48.079   21.844   41.473   22.139   82.475   29.813   75.643   29.427 6.832481 41.88991 
1 1 1  -31   25    9 o   37.910   18.720 -18.5284   17.843 -13.1902   28.644 -21.9133   22.809   46.945   23.277   41.265   20.513 5.680279 31.02627 
1 1 1  -31   25   10 o   37.027   17.822  -6.7083   13.479   0.0000   0.0000  -6.7083   13.479  ?   ?    37.027   17.822 0.000000 17.82207 
1 1 1  -31   25   11 o   71.418   24.023   33.779   14.041   0.0000   0.0000   33.779   14.041  ?   ?    71.418   24.023 0.000000 24.02328 
1 1 1  -31   25   12 o   32.033   15.836 -12.6475   12.897   22.878   27.626 -22.5472   14.584   49.232   24.106   30.772   15.458 18.46017 28.63694 
1 1 1  -31   25   13 o   42.028   19.560   10.018   13.818   39.941   29.655   1.7198   15.617   49.089   24.220   38.286   18.609 10.80276 30.54340 
1 1 1  -31   27    1 o   62.164   24.108   17.199   14.823   15.917   21.486   18.364   20.478   62.718   27.086   64.278   27.053 -1.559376 38.28155 
1 1 1  -31   27    2 o   42.918   20.219  -7.4595   15.537 -11.5404   21.864  -3.2962   22.084   48.019   23.005   51.770   24.300 -3.751572 33.46198 
1 1 1  -31   27    3 o   71.741   25.787   26.322   16.315   57.379   22.217 -10.0268   24.035  101.370   29.733   50.187   24.064 51.18321 38.25073 
1 1 1  -31   27    4 o   76.626   27.844   33.052   19.091   40.076   22.716   16.161   35.227   80.651   30.183   64.410   30.374 16.24141 42.82080 
1 1 1  -31   27    5 o   37.376   18.294 -18.8996   15.870 -38.8502   21.092   7.1306   24.093   37.769   18.920   56.193   26.041 -18.42450 32.18879 
1 1 1  -31   27    6 o   57.350   23.529   15.300   14.940   21.295   20.940   9.0857   21.320   62.592   26.883   54.869   25.087 7.722301 36.77074 
1 1 1  -31   27    7 o   56.512   23.495   15.599   15.164  -3.2307   20.869   36.665   22.073   47.515   22.685   72.386   28.998 -24.87145 36.81726 
1 1 1  -31   27    8 o   53.050   21.693   13.560   12.645   21.600   27.695   11.442   14.213   58.662   27.431   51.271   22.086 7.391087 35.21771 
1 1 1  -31   27    9 o   54.332   24.892   17.024   21.134   0.0000   0.0000   17.024   21.134  ?   ?    54.332   24.892 0.000000 24.89173 
1 1 1  -31   27   10 o   59.518   23.052   22.656   13.540   0.0000   0.0000   22.656   13.540  ?   ?    59.518   23.052 0.000000 23.05250 
1 1 1  -31   27   11 o   48.759   21.175   14.077   13.279   0.0000   0.0000   14.077   13.279  ?   ?    48.759   21.175 0.000000 21.17507 
1 1 1  -31   27   12 f   34.074   16.747  -8.3198   13.729 -26.3463   27.784  -2.4968   15.791   38.144   19.392   37.890   18.482 0.2545090 26.78837 
1 1 1  -31   27   13 o   42.970   19.824   13.156   13.733   21.859   29.001   10.641   15.592   43.594   21.886   41.342   19.702 2.251366 29.44809 
1 1 1  -31   29    1 o   70.403   26.668   26.246   17.851   19.161   30.180   30.058   22.139   65.137   29.806   72.321   29.017 -7.184235 41.59795 
1 1 1  -31   29    2 o  107.829   25.802   58.235   18.999   46.415   30.363   65.841   24.356   80.009   33.253  105.382   31.194 -25.37286 45.59383 
1 1 1  -31   29    3 o   59.623   24.521   16.036   16.275   10.321   22.316   22.529   23.786   57.539   26.056   65.392   28.369 -7.852959 38.51910 
1 1 1  -31   29    4 o   42.607   20.526 -11.9975   17.977 -16.6035   21.210  -0.2509   33.872   44.149   21.510   57.220   27.716 -13.07100 35.08308 
1 1 1  -31   29    5 o   45.655   21.030   0.2631   15.369   5.3762   21.039  -5.5870   22.504   52.747   24.406   48.712   23.338 4.035042 33.76835 
1 1 1  -31   29    6 o   55.047   23.385   13.730   15.535   24.583   21.891   2.7170   22.050   63.398   27.360   51.019   24.051 12.37881 36.42783 
1 1 1  -31   29    7 o   60.850   22.616   19.816   12.710   19.610   27.824   19.871   14.288   58.452   27.385   60.046   23.562 -1.594254 36.12593 
1 1 1  -31   29    8 o   29.430   14.761 -26.4539   13.031 -56.0488   29.782 -19.4471   14.491   39.499   20.080   33.663   16.667 5.836079 26.09616 
1 1 1  -31   29    9 o   37.774   18.039  -4.5567   13.212   0.0000   0.0000  -4.5567   13.212  ?   ?    37.774   18.039 0.000000 18.03897 
1 1 1  -31   29   10 o   35.874   17.317  -6.0775   12.957   0.0000   0.0000  -6.0775   12.957  ?   ?    35.874   17.317 0.000000 17.31711 
1 1 1  -31   29   11 o   33.141   16.302 -10.6341   13.093   0.0000   0.0000 -10.6341   13.093  ?   ?    33.141   16.302 0.000000 16.30181 
1 1 1  -31   29   12 o   43.455   19.505   11.272   12.192   20.668   27.176   8.9046   13.642   45.795   22.701   41.816   19.453 3.978905 29.89573 
1 1 1  -31   31    1 o   40.231   19.627 -17.7716   17.825 -15.6927   30.822 -18.8164   21.850   51.662   25.331   44.103   21.562 7.558823 33.26499 
1 1 1  -31   31    2 o   69.195   26.912   27.063   18.512   10.883   30.562   36.438   23.265   59.765   28.216   74.906   29.851 -15.14061 41.07590 
1 1 1  -31   31    3 o   50.447   24.052  -3.3272   23.289 -64.3415   33.946   50.927   32.010   43.624   22.101   78.082   33.379 -34.45709 40.03245 
1 1 1  -31   31    4 o   63.647   26.490   22.820   19.309   41.298   34.683   14.520   23.244   70.307   32.088   58.190   26.446 12.11695 41.58160 
1 1 1  -31   31    5 o   62.190   25.752   22.021   18.114   9.5171   34.197   26.898   21.356   57.463   27.837   65.147   27.534 -7.683258 39.15356 
1 1 1  -31   31    6 o   37.201   17.743  -7.0931   12.697 -45.6976   30.047   1.2997   14.010   42.272   21.353   43.763   20.129 -1.491280 29.34500 
1 1 1  -31   31    7 o   61.930   23.391   22.170   13.708   0.0000   0.0000   22.170   13.708  ?   ?    61.930   23.391 0.000000 23.39079 
1 1 1  -31   31    8 o   40.068   19.728 -13.5741   19.333   0.0000   0.0000 -13.5741   19.333  ?   ?    40.068   19.728 0.000000 19.72819 
1 1 1  -31   31    9 o   33.233   16.266 -11.4870   12.539   0.0000   0.0000 -11.4870   12.539  ?   ?    33.233   16.266 0.000000 16.26558 
1 1 1  -31   31   10 o   54.794   22.139   20.074   12.987   0.0000   0.0000   20.074   12.987  ?   ?    54.794   22.139 0.000000 22.13939 
1 1 1  -31   31   11 o   40.484   19.121   4.7097   14.060  -1.3098   31.499   6.2073   15.711   43.145   21.801   41.853   19.898 1.291851 29.51672 
1 1 1  -31   31   12 o   37.032   17.600   3.2480   12.269 -29.8829   24.952   13.812   14.090  ?   ?    43.737   20.143 0.000000 20.14310 
1 1 1  -31   33    1 o   63.259   24.728   21.296   15.691  -9.4771   21.648   55.352   22.774   46.409   22.398   91.944   30.592 -45.53426 37.91528 
1 1 1  -31   33    2 o   38.306   18.560 -13.0738   15.217 -19.5330   20.893  -5.7772   22.207   42.142   20.702   48.090   23.077 -5.947800 31.00209 
1 1 1  -31   33    3 o   47.988   23.161  -6.8659   23.149 -15.6049   34.119   0.5878   31.511   51.437   25.487   54.522   26.485 -3.084686 36.75605 
1 1 1  -31   33    4 o   52.788   24.031   9.4349   19.295   15.541   34.341   6.6179   23.324   58.739   28.315   52.940   24.889 5.798752 37.69841 
1 1 1  -31   33    5 f   82.487   24.397   37.758   14.903   0.0000   0.0000   37.758   14.903  ?   ?    82.487   24.397 0.000000 24.39700 
1 1 1  -31   33    6 o   38.089   18.491 -10.8085   15.300   0.0000   0.0000 -10.8085   15.300  ?   ?    38.089   18.491 0.000000 18.49117 
1 1 1  -31   33    7 o   84.982   23.923   41.436   14.667   0.0000   0.0000   41.436   14.667  ?   ?    84.982   23.923 0.000000 23.92269 
1 1 1  -31   33    8 o   37.903   18.216  -5.2068   13.949   0.0000   0.0000  -5.2068   13.949  ?   ?    37.903   18.216 0.000000 18.21571 
1 1 1  -31   33    9 o   56.448   22.329   20.839   12.929   0.0000   0.0000   20.839   12.929  ?   ?    56.448   22.329 0.000000 22.32918 
1 1 1  -31   33   10 o   40.405   18.956   3.9308   13.414   0.0000   0.0000   3.9308   13.414  ?   ?    40.405   18.956 0.000000 18.95639 
1 1 1  -31   33   11 o   33.614   16.415  -5.4984   12.557 -37.7756   26.216   4.1128   14.305  ?   ?    39.290   18.765 0.000000 18.76506 
1 1 1  -31   35    1 o   41.171   19.565  -5.8102   15.159   3.1874   21.048 -15.5066   21.850   50.302   23.646   43.610   21.372 6.691959 31.87309 
1 1 1  -31   35    2 o   70.798   25.539   29.708   16.018   37.272   21.998   21.171   23.369   72.204   28.940   60.119   26.993 12.08552 39.57496 
1 1 1  -31   35    3 o   68.564   24.879   27.573   15.234   15.200   20.264   43.652   23.100   55.887   25.112   75.704   29.878 -19.81747 39.02962 
1 1 1  -31   35    4 o   26.420   13.375 -34.2168   12.284 -77.3171   25.778 -21.5546   13.972  ?   ?    32.588   16.175 0.000000 16.17508 
1 1 1  -31   35    5 o   32.209   16.018 -21.9147   13.966   0.0000   0.0000 -21.9147   13.966  ?   ?    32.209   16.018 0.000000 16.01791 
1 1 1  -31   35    6 o   40.464   19.037  -1.3204   13.690   0.0000   0.0000  -1.3204   13.690  ?   ?    40.464   19.037 0.000000 19.03732 
1 1 1  -31   35    7 o   47.139   22.602   5.0559   21.198   0.0000   0.0000   5.0559   21.198  ?   ?    47.139   22.602 0.000000 22.60166 
1 1 1  -31   35    8 o   53.693   22.437   18.572   13.931   0.0000   0.0000   18.572   13.931  ?   ?    53.693   22.437 0.000000 22.43739 
1 1 1  -31   35    9 o   42.761   19.712   6.8831   13.539   0.0000   0.0000   6.8831   13.539  ?   ?    42.761   19.712 0.000000 19.71244 
1 1 1  -31   35   10 o   29.815   14.942 -19.0680   13.223 -52.0488   29.125 -10.5054   14.840  ?   ?    34.136   16.895 0.000000 16.89517 
1 1 1  -31   35   11 o   37.729   17.892   4.4774   12.547  -1.3644   24.758   6.4963   14.554   39.207   19.752   39.392   18.845 -0.1856117 27.29993 
1 1 1  -31   37    1 o   46.425   21.309   4.1118   15.588 -22.1700   21.580   32.787   22.541   40.590   20.140   66.212   28.150 -25.62109 34.61232 
1 1 1  -31   37    2 o   51.278   23.075   10.580   17.184   6.2959   20.402   21.039   31.876   50.053   23.449   57.921   27.756 -7.868031 36.33584 
1 1 1  -31   37    3 o   50.088   20.972   11.348   12.205   27.571   25.159   6.3553   13.957   60.758   27.574   46.473   20.864 14.28568 34.57822 
1 1 1  -31   37    4 o   36.321   17.416  -7.0583   12.588 -29.4976   28.287  -1.5173   14.057   42.745   21.480   40.991   19.287 1.753384 28.86814 
1 1 1  -31   37    5 o   46.989   20.539   9.0432   12.666   11.537   29.084   8.4597   14.070   52.123   25.348   47.078   21.055 5.044529 32.95210 
1 1 1  -31   37    6 o   38.928   18.339  -1.2809   12.784   11.346   28.350  -4.5038   14.323   50.696   24.736   38.670   18.551 12.02688 30.91960 
1 1 1  -31   37    7 o   42.347   20.723  -3.9050   20.331 -25.7268   28.453   18.859   29.061   41.178   20.797   51.320   25.042 -10.14216 32.55167 
1 1 1  -31   37    8 o   43.799   19.581   8.5690   12.155 -55.7073   26.009   26.532   13.750  ?   ?    60.960   23.329 0.000000 23.32933 
1 1 1  -31   37    9 o   36.450   17.429  -1.0459   12.416 -31.3561   28.256   6.2074   13.822  ?   ?    41.413   19.370 0.000000 19.36965 
1 1 1  -31   37   10 f   28.106   14.138 -20.0372   12.423   5.2878   27.742 -26.3897   13.894   41.796   21.038   28.122   14.236 13.67397 25.40153 
1 1 1  -31   39    1 o   63.249   24.941   26.077   16.084   26.624   22.079   25.458   23.477   60.024   26.639   58.868   26.686 1.156002 37.70642 
1 1 1  -31   39    2 o   54.033   21.575   15.643   12.175 -43.1854   25.254   33.455   13.897   38.029   19.244   75.525   23.803 -37.49549 30.60966 
1 1 1  -31   39    3 o   43.385   19.479   5.0664   12.169   34.317   25.856  -3.2564   13.792   61.692   27.981   39.350   18.689 22.34183 33.64863 
1 1 1  -31   39    4 o   34.017   16.491  -9.1911   12.052  -4.3639   28.102 -10.2789   13.341   46.916   23.226   35.143   17.108 11.77285 28.84677 
1 1 1  -31   39    5 o   48.589   20.880   11.956   12.645   24.478   29.924   9.2344   13.951   54.190   26.198   46.556   20.883 7.634586 33.50320 
1 1 1  -31   39    6 o   43.231   20.425   3.7629   16.065 -57.8537   28.566   32.262   19.428  ?   ?    60.988   26.036 0.000000 26.03597 
1 1 1  -31   39    7 o   46.835   20.288   11.995   12.128   28.751   25.869   7.2743   13.730   53.200   25.360   43.383   19.944 9.816906 32.26306 
1 1 1  -31   39    8 o   39.399   18.414   3.6565   12.453 -35.6000   24.245   17.724   14.514   35.503   18.055   49.716   21.851 -14.21294 28.34544 
1 1 1  -31   39    9 o   42.501   19.700   10.026   13.799  -3.8507   26.598   15.136   16.141   40.464   20.397   45.392   21.131 -4.927975 29.36884 
1 1 1  -31   39   10 o   38.966   18.359   7.5243   12.817   13.234   27.124   5.8828   14.543   41.371   20.820   38.430   18.501 2.940327 27.85275 
1 1 1  -31   41    1 o   43.431   19.761   5.0656   13.025   19.917   24.604  -0.7170   15.353   53.887   25.403   41.559   19.732 12.32836 32.16657 
1 1 1  -31   41    2 o   44.534   19.782   7.2402   12.202   44.410   26.024  -3.2335   13.815   65.129   28.913   38.835   18.518 26.29401 34.33456 
1 1 1  -31   41    3 o   57.161   22.107   19.836   12.438   65.366   29.990   10.377   13.669   71.424   31.401   47.347   20.989 24.07728 37.76997 
1 1 1  -31   41    4 o   50.640   21.051   14.494   12.171   28.898   27.833   11.088   13.534   55.110   26.280   47.405   20.957 7.705002 33.61298 
1 1 1  -31   41    5 o   42.997   19.483   6.6544   12.500   18.171   27.518   3.6599   14.032   50.404   24.545   41.785   19.535 8.618908 31.36950 
1 1 1  -31   41    6 o   33.794   16.428  -7.3446   12.185   27.132   28.079 -15.3426   13.524   51.688   25.083   32.118   15.937 19.56913 29.71816 
1 1 1  -31   41    7 o   37.975   17.753   2.3342   11.588   55.707   25.792 -11.1631   12.970   62.798   28.263   32.517   16.039 30.28055 32.49691 
1 1 1  -31   41    8 o   33.040   16.151  -6.3464   12.248   4.2346   24.783  -9.7661   14.089   42.022   20.968   33.371   16.507 8.650948 26.68636 
1 1 1  -31   41    9 o   45.297   20.130   15.845   12.648  -4.4039   25.433   22.498   14.578   38.480   19.457   49.088   21.723 -10.60769 29.16224 
1 1 1  -31   43    1 o   37.359   17.639  -1.4186   11.948 -17.0927   24.775   3.3311   13.638   41.006   20.536   41.662   19.404 -0.6555328 28.25340 
1 1 1  -31   43    2 o   39.875   18.429   2.5990   11.947 -29.9659   25.043   12.194   13.594   38.461   19.435   47.877   21.092 -9.416634 28.68065 
1 1 1  -31   43    3 o   36.364   17.354  -3.0737   12.184   47.029   28.442 -14.3345   13.484   60.446   28.109   32.769   16.198 27.67720 32.44209 
1 1 1  -31   43    4 f   43.543   19.413   8.2515   11.860  -7.6683   27.152   12.005   13.185   43.026   21.541   46.878   20.706 -3.852390 29.87872 
1 1 1  -31   43    5 o   40.258   19.127   2.3280   14.470   8.8146   25.856  -0.6301   17.461   45.826   22.611   40.497   19.682 5.329262 29.97743 
1 1 1  -31   43    6 o   39.793   18.401   4.9957   11.935 -40.2390   26.662   16.331   13.347  ?   ?    48.740   21.198 0.000000 21.19803 
1 1 1  -31   43    7 o   37.372   17.708   2.3362   12.243   17.688   25.355  -2.3318   13.981   45.294   22.357   36.133   17.573 9.161049 28.43620 
1 1 1  -31   43    8 o   40.054   18.923   8.2896   13.786  -9.5463   24.646   16.411   16.631   37.509   18.985   44.161   20.839 -6.651085 28.18978 
1 1 1  -31   45    1 o   41.823   19.302   5.7264   13.037   5.3561   24.145   5.8788   15.488   45.045   22.153   42.925   20.211 2.119667 29.98780 
1 1 1  -31   45    2 o   29.298   14.597 -17.1354   11.819  -4.5156   25.386 -20.6281   13.355   42.624   21.261   30.126   15.086 12.49773 26.06967 
1 1 1  -31   45    3 o   38.429   17.987   2.1179   11.954 -13.4049   26.082   6.2458   13.450   40.625   20.442   41.919   19.437 -1.293568 28.20754 
1 1 1  -31   45    4 o   58.027   23.869   28.194   15.423   48.244   27.363   18.858   18.671   57.338   26.956   48.847   22.735 8.490986 35.26374 
1 1 1  -31   45    5 o   41.355   18.928   7.6914   12.178   9.6390   26.857   7.1872   13.664   44.170   22.006   41.412   19.333 2.758053 29.29183 
1 1 1  -31   45    6 o   42.064   19.095   9.9007   12.075   14.288   24.960   8.5603   13.796   43.888   21.756   41.306   19.330 2.582520 29.10246 
1 1 1  -31   45    7 o   32.808   16.101  -5.1168   12.546 -17.6488   24.180  -0.5006   14.676   35.840   18.207   36.032   17.628 -0.1922913 25.34255 
1 1 1  -31   47    1 o   30.910   15.389 -15.2456   13.038 -15.0488   24.003 -15.3280   15.529   38.572   19.435   33.334   16.628 5.238327 25.57697 
1 1 1  -31   47    2 o   44.391   20.011   11.443   12.992   10.693   24.056   11.752   15.436   44.475   21.919   44.545   20.712 -0.7022095E-01 30.15689 
1 1 1  -31   47    3 o   41.344   18.703   8.1607   11.463 -11.1366   25.368   13.112   12.849   39.289   19.818   45.307   20.202 -6.017673 28.29985 
1 1 1  -31   47    4 o   30.358   15.299 -21.9982   14.921  -6.5512   25.949 -29.6280   18.237   39.686   20.022   31.528   15.996 8.158375 25.62721 
1 1 1  -31   47    5 o   35.699   17.017   1.3739   11.644   31.395   23.828  -8.0450   13.347   48.223   23.330   32.692   16.152 15.53059 28.37527 
1 1 1  -31   49    1 o   41.306   18.762   9.3727   11.677   5.2829   24.746   10.544   13.244   41.262   20.644   42.164   19.458 -0.9021530 28.36885 
1 1 1  -31   49    2 o   35.976   17.078   1.8927   11.491 -19.0049   25.570   7.1812   12.863   36.750   18.675   39.758   18.624 -3.007805 26.37449 
1 1 1  -31   49    3 o   42.383   20.456   12.779   18.063   9.2390   24.449   17.034   26.802   41.341   20.659   43.035   21.524 -1.694180 29.83367 
1 1 1  -31   49    4 o   30.824   15.223  -7.9276   11.818   14.434   25.263 -14.1922   13.371   41.637   20.835   30.132   15.090 11.50528 25.72584 
1 1 1  -30    0    1 o  206.718   15.980  150.962   22.549  150.962   22.549  150.962   22.549  206.718   15.980  206.718   15.980 0.000000 0.000000 
1 1 1  -30    0    2 o  333.838   11.474  387.688   26.441  387.688   26.441  387.688   26.441  333.838   11.474  333.838   11.474 0.000000 0.000000 
1 1 1  -30    0    3 f   60.464   33.929   17.341   21.428   17.341   21.428   17.341   21.428   60.464   33.929   60.464   33.929 0.000000 0.000000 
1 1 1  -30    0    4 o   29.493   21.230 -37.3557   21.390 -37.3557   21.390 -37.3557   21.390   29.493   21.230   29.493   21.230 0.000000 0.000000 
1 1 1  -30    0    5 o   51.886   33.904  -2.7083   29.942  -2.7083   29.942  -2.7083   29.942   51.886   33.904   51.886   33.904 0.000000 0.000000 
1 1 1  -30    0    6 o   43.659   29.049  -6.3602   23.589  -6.3602   23.589  -6.3602   23.589   43.659   29.049   43.659   29.049 0.000000 0.000000 
1 1 1  -30    0    7 o   93.391   38.252   43.474   24.386   43.474   24.386   43.474   24.386   93.391   38.252   93.391   38.252 0.000000 0.000000 
1 1 1  -30    0    8 o   54.334   33.485   9.2145   24.592   9.2145   24.592   9.2145   24.592   54.334   33.485   54.334   33.485 0.000000 0.000000 
1 1 1  -30    0    9 o   70.458   37.881   26.606   25.512   26.606   25.512   26.606   25.512   70.458   37.881   70.458   37.881 0.000000 0.000000 
1 1 1  -30    0   11 o   42.196   28.729 -11.3672   25.712 -11.3672   25.712 -11.3672   25.712   42.196   28.729   42.196   28.729 0.000000 0.000000 
1 1 1  -30    0   12 o  104.769   39.378   56.442   26.690   56.442   26.690   56.442   26.690  104.769   39.378  104.769   39.378 0.000000 0.000000 
1 1 1  -30    0   13 o   74.870   38.365   34.509   25.219   34.509   25.219   34.509   25.219   74.870   38.365   74.870   38.365 0.000000 0.000000 
1 1 1  -30    0   14 o   44.527   29.632   0.0940   24.568   0.0940   24.568   0.0940   24.568   44.527   29.632   44.527   29.632 0.000000 0.000000 
1 1 1  -30    0   15 o   39.280   27.585 -17.3415   28.781 -17.3415   28.781 -17.3415   28.781   39.280   27.585   39.280   27.585 0.000000 0.000000 
1 1 1  -30    0   16 o   44.499   28.309   10.731   19.116   10.731   19.116   10.731   19.116   44.499   28.309   44.499   28.309 0.000000 0.000000 
1 1 1  -30    2    1 o   48.212   21.576  -4.2217   14.799   16.571   21.084 -24.4138   20.777   73.762   28.711   46.943   22.473 26.81831 36.46068 
1 1 1  -30    2    2 o   46.557   21.118  -6.2674   14.730  -4.5435   20.238  -8.2093   21.480   56.236   25.194   55.753   25.371 0.4838371 35.75491 
1 1 1  -30    2    3 o  150.604   15.055   82.406   15.483   87.118   21.783   77.595   22.010  151.424   21.380  141.656   23.257 9.767853 31.59106 
1 1 1  -30    2    4 o   49.295   21.964  -2.9366   15.157 -23.6509   21.583   17.218   21.289   47.930   22.935   73.353   28.768 -25.42290 36.79135 
1 1 1  -30    2    5 o   60.745   26.465   2.9318   20.877   6.7463   28.665  -1.3771   30.466   70.611   30.880   67.775   30.590 2.835976 43.46611 
1 1 1  -30    2    6 o   52.754   23.851  -3.8828   18.614  -9.3074   22.941   6.5707   31.846   55.133   25.501   71.521   31.854 -16.38797 40.80394 
1 1 1  -30    2    7 o   42.116   20.147 -17.0205   16.627 -13.1725   23.128 -21.1361   23.919   52.647   24.761   50.277   24.080 2.369446 34.53958 
1 1 1  -30    2    8 o  156.965   16.885   94.955   18.055  114.523   25.921   76.514   25.164  165.435   23.283  128.694   28.952 36.74109 37.15282 
1 1 1  -30    2    9 o  160.648   17.570  101.980   19.217   93.474   28.086  109.468   26.351  138.204   30.206  157.201   25.061 -18.99789 39.24857 
1 1 1  -30    2   10 o   75.780   28.969   30.001   21.185   32.134   25.717   25.498   37.370   76.413   31.055   72.570   33.193 3.842949 45.45546 
1 1 1  -30    2   11 o   64.079   27.318   19.288   21.335   10.820   38.368   23.078   25.669   64.024   30.621   67.041   29.273 -3.016945 42.36175 
1 1 1  -30    2   12 o   66.156   26.387   24.600   18.193   35.895   25.021   11.931   26.500   72.311   30.131   58.308   27.120 14.00293 40.53864 
1 1 1  -30    2   13 o   68.111   26.514   29.694   17.981   29.156   25.070   30.264   25.804   63.757   28.337   64.160   28.617 -0.4029388 40.27317 
1 1 1  -30    2   14 o   64.702   25.944   29.737   17.686   19.741   25.395   39.153   24.647   55.154   25.942   65.600   28.663 -10.44625 38.65916 
1 1 1  -30    2   15 o   41.910   20.218  -0.4925   17.591 -28.6244   29.606   14.857   21.869   40.954   20.737   49.615   23.555 -8.660900 31.38247 
1 1 1  -30    2   16 o   49.639   21.855   19.146   14.574   28.995   26.930   15.067   17.332   49.155   24.012   46.015   21.576 3.139385 32.28094 
1 1 1  -30    4    1 o   58.076   23.455   7.3788   14.569  -1.4535   20.687   16.071   20.522   58.899   25.980   72.774   28.327 -13.87440 38.43638 
1 1 1  -30    4    2 f   50.985   22.291  -0.7838   14.928   4.0692   21.182  -5.5722   21.040   63.238   27.096   56.637   25.505 6.600586 37.21171 
1 1 1  -30    4    3 o   47.819   21.440  -4.1583   14.688  -1.4687   20.252  -7.1430   21.334   57.942   25.624   55.860   25.367 2.082428 36.05674 
1 1 1  -30    4    4 o  111.535   20.954   48.052   15.581   34.040   21.612   63.217   22.484   90.671   29.784  124.531   26.875 -33.86036 40.11699 
1 1 1  -30    4    5 o   65.599   27.406   9.7046   20.776 -10.5463   29.335   30.088   29.430   62.278   28.817   86.849   33.889 -24.57098 44.48488 
1 1 1  -30    4    6 o  142.069   20.025   78.420   19.143   98.168   23.704   41.385   32.461  157.100   22.438   93.992   35.876 63.10827 42.31487 
1 1 1  -30    4    7 o   62.811   25.157   12.717   16.610 -14.4623   23.603   39.379   23.377   52.558   24.809   91.515   30.997 -38.95710 39.70230 
1 1 1  -30    4    8 o   73.959   26.499   23.913   17.215 -11.5711   25.244   54.757   23.536   54.538   25.717  106.076   30.457 -51.53763 39.86228 
1 1 1  -30    4    9 o   41.347   20.253 -26.6446   19.554  -1.5891   25.028 -65.9024   31.328   57.481   26.604   44.681   22.472 12.79940 34.82500 
1 1 1  -30    4   10 o  101.570   28.801   53.377   21.178   52.315   25.313   55.854   38.665   94.568   32.253   86.848   36.894 7.719933 49.00475 
1 1 1  -30    4   11 o   57.083   25.774   8.7174   21.652   4.2746   38.655   10.749   26.138   62.019   29.931   60.178   27.611 1.840698 40.72157 
1 1 1  -30    4   12 o   37.512   18.574 -25.2745   17.998  -5.7059   24.638 -47.6674   26.356   50.172   24.136   40.520   20.410 9.651367 31.60818 
1 1 1  -30    4   13 o   69.652   26.832   31.641   18.267   17.888   25.538   46.050   26.139   57.646   26.749   73.856   30.788 -16.20972 40.78464 
1 1 1  -30    4   14 o   68.998   26.488   34.277   17.759   42.425   25.112   26.127   25.117   67.076   29.125   57.959   26.764 9.117229 39.55461 
1 1 1  -30    4   15 o   36.928   18.111  -9.6530   15.785 -15.9568   22.903  -3.9501   21.784   40.024   20.000   42.671   20.997 -2.647503 28.99736 
1 1 1  -30    4   16 o   40.839   19.451   5.6449   15.148 -19.4829   28.207   15.829   17.957   38.891   19.749   46.159   21.743 -7.267422 29.37268 
1 1 1  -30    6    1 o  131.484   16.872   63.562   15.000  102.388   21.456   26.448   20.978  166.133   19.002   83.444   29.318 82.68911 34.93753 
1 1 1  -30    6    2 o   58.952   23.685   8.1484   14.773  -0.1991   20.452   17.256   21.362   59.212   25.984   74.194   28.895 -14.98221 38.85965 
1 1 1  -30    6    3 o   38.261   18.460 -20.4018   14.679 -36.2618   20.085  -2.2174   21.507   41.267   20.277   58.935   26.217 -17.66771 33.14397 
1 1 1  -30    6    4 o   71.440   25.506   18.819   15.936   42.574   22.509  -5.0513   22.564  100.018   30.075   58.101   26.265 41.91758 39.92975 
1 1 1  -30    6    5 o  102.358   29.134   45.243   21.628   57.220   30.287   32.780   30.896  110.486   35.175   88.964   34.721 21.52218 49.42481 
1 1 1  -30    6    6 o  128.046   22.009   65.479   18.802   67.438   23.126   61.659   32.293  125.522   27.390  110.917   36.406 14.60470 45.55930 
1 1 1  -30    6    7 o   75.716   25.820   24.371   16.221   27.179   23.417   21.781   22.491   79.192   30.413   74.175   29.416 5.017326 42.31117 
1 1 1  -30    6    8 o   42.641   20.337 -14.7591   16.677 -25.8793   24.186  -4.6798   23.026   47.901   23.253   55.377   25.591 -7.475475 34.57760 
1 1 1  -30    6    9 o   67.110   27.808   18.067   21.141   20.416   25.479   12.873   37.879   70.179   29.884   70.342   32.618 -0.1623611 44.23771 
1 1 1  -30    6   10 o   46.344   21.720  -6.5750   17.531  -2.2153   24.437 -11.1982   25.165   54.953   25.719   51.822   24.789 3.130650 35.72049 
1 1 1  -30    6   11 o   56.399   26.613   1.7177   27.117   24.498   37.294 -23.8390   39.501   67.958   31.795   55.358   27.428 12.60082 41.99123 
1 1 1  -30    6   12 o   47.317   22.094  -0.6358   17.859   3.9781   25.038  -5.4147   25.482   53.996   25.507   50.637   24.405 3.358330 35.30150 
1 1 1  -30    6   13 o   45.334   21.507  -1.7917   18.167  -9.6546   26.229   5.4587   25.186   47.574   23.335   52.112   24.892 -4.538097 34.11887 
1 1 1  -30    6   14 o   58.525   25.718   24.692   20.096   31.332   31.626   20.196   26.026   58.255   27.844   54.944   25.970 3.311760 38.07557 
1 1 1  -30    6   15 o   39.378   18.717  -0.3426   13.885   58.439   31.414 -14.6142   15.479   62.812   29.320   34.808   17.233 28.00424 34.00912 
1 1 1  -30    6   16 o   52.866   22.558   23.484   14.571   5.6683   30.488   28.757   16.588   43.184   21.776   54.961   23.767 -11.77681 32.23481 
1 1 1  -30    8    1 f   46.411   20.928  -5.0975   14.222 -15.4198   19.427   6.8233   20.878   48.788   22.865   64.845   27.305 -16.05697 35.61386 
1 1 1  -30    8    2 o   83.546   24.413   27.554   15.003   44.954   20.710   8.3384   21.764  104.725   28.022   66.758   27.982 37.96619 39.60097 
1 1 1  -30    8    3 o   75.562   25.234   21.983   15.491   22.566   21.372   21.338   22.485   78.610   29.305   78.003   29.838 0.6071625 41.82198 
1 1 1  -30    8    4 o   50.616   22.912  -5.3254   17.237 -19.4829   29.146   2.2900   21.376   58.722   27.673   61.095   26.694 -2.372501 38.44892 
1 1 1  -30    8    5 o  205.353   16.196  156.245   22.832  166.049   33.264  147.512   31.395  204.054   24.013  192.106   24.146 11.94777 34.05311 
1 1 1  -30    8    6 o  178.174   15.278  117.946   18.659  111.977   23.007  129.415   31.892  169.590   19.985  174.703   27.266 -5.112686 33.80574 
1 1 1  -30    8    7 o   50.422   22.565  -1.0620   16.187 -18.0337   24.194   12.692   21.780   51.463   24.530   66.110   27.865 -14.64715 37.12425 
1 1 1  -30    8    8 o   70.260   26.115   21.054   16.948   24.084   24.243   18.157   23.701   74.444   30.189   69.712   29.209 4.731995 42.00689 
1 1 1  -30    8    9 o   58.120   25.862   6.1163   20.943   14.670   25.821 -10.3317   35.806   66.285   29.140   61.030   29.292 5.254955 41.31733 
1 1 1  -30    8   10 o   76.111   26.509   29.185   17.133   62.354   24.175  -4.2902   24.286  106.141   30.982   53.708   25.295 52.43344 39.99588 
1 1 1  -30    8   11 o   52.389   24.398   0.8518   21.553   52.683   37.462 -24.7932   26.351   79.456   35.009   46.794   23.038 32.66177 41.90925 
1 1 1  -30    8   12 o   42.840   21.066 -20.1790   21.814 -33.6781   40.474 -14.6522   25.898   51.283   25.761   47.713   23.358 3.570656 34.77365 
1 1 1  -30    8   13 o   38.111   18.748 -17.3951   17.329 -31.6102   24.873  -3.9885   24.156   41.006   20.542   48.021   23.295 -7.015720 31.05860 
1 1 1  -30    8   14 o   58.132   25.413   24.167   19.400   29.161   30.002   20.578   25.432   57.450   27.365   54.812   25.836 2.638130 37.63419 
1 1 1  -30    8   15 f   58.737   23.249   24.380   14.024   66.537   32.122   14.452   15.588   64.781   30.038   48.945   22.006 15.83549 37.23645 
1 1 1  -30    8   16 o   73.443   24.200   41.244   14.263   54.976   29.016   36.868   16.379   55.110   26.429   62.016   24.931 -6.905663 36.33237 
1 1 1  -30   10    1 o  121.323   18.269   55.053   14.865   16.907   20.585   96.622   21.489   72.995   28.382  160.420   19.772 -87.42506 34.58998 
1 1 1  -30   10    2 o   67.616   24.267   16.168   14.443   12.859   19.890   19.859   21.008   68.481   27.494   75.881   28.885 -7.399895 39.87817 
1 1 1  -30   10    3 o   75.289   24.854   22.039   15.043   17.628   20.447   27.243   22.209   72.935   28.307   83.269   30.067 -10.33354 41.29487 
1 1 1  -30   10    4 o  180.119   15.842  119.509   19.548  133.805   31.335  110.400   25.011  182.449   25.513  168.547   21.962 13.90208 33.66378 
1 1 1  -30   10    5 o   37.145   18.341 -32.8982   17.119 -47.8527   21.478  -6.8439   28.349   39.331   19.609   62.216   28.623 -22.88438 34.69561 
1 1 1  -30   10    6 o   48.026   22.308  -9.2387   17.831 -19.5548   22.753   7.1805   28.705   49.701   23.718   68.436   30.374 -18.73431 38.53676 
1 1 1  -30   10    7 o   43.749   20.616 -11.6811   16.178 -12.9164   23.147 -10.5015   22.619   52.214   24.622   52.716   24.695 -0.5024605 34.87273 
1 1 1  -30   10    8 o   50.750   22.922  -0.9819   17.141   3.3861   23.778  -5.7070   24.731   59.854   27.019   56.042   26.111 3.812439 37.57412 
1 1 1  -30   10    9 o   76.314   28.221   28.820   19.742   29.724   23.777   26.815   35.424   76.311   30.251   74.748   33.421 1.563469 45.07824 
1 1 1  -30   10   10 o   70.925   26.109   24.966   16.864   39.643   23.662   9.8148   24.042   82.302   30.804   60.196   27.171 22.10645 41.07534 
1 1 1  -30   10   11 o   38.034   18.667 -21.1485   16.868 -43.6034   23.465   2.8674   24.266   39.368   19.754   54.765   25.631 -15.39752 32.35963 
1 1 1  -30   10   12 o   47.962   22.730  -2.2015   20.190 -26.8244   39.781   6.3415   23.432   51.799   25.954   53.731   25.159 -1.932034 36.14670 
1 1 1  -30   10   13 o   41.877   20.352 -10.0651   18.667 -15.0244   30.039  -6.9453   23.825   47.589   23.637   46.599   22.724 0.9897041 32.78856 
1 1 1  -30   10   14 o   72.570   24.200   32.960   14.248   58.732   30.502   25.767   16.114   69.325   31.003   61.239   24.690 8.085197 39.63321 
1 1 1  -30   10   15 o   43.801   20.073   7.7934   13.756   0.8951   32.700   9.2767   15.163   45.931   23.083   45.143   20.828 0.7888145 31.09081 
1 1 1  -30   12    1 o   75.525   24.573   22.112   14.724   9.4274   19.854   37.618   21.951   65.318   26.997   94.913   29.917 -29.59461 40.29686 
1 1 1  -30   12    2 o   88.075   24.024   31.093   15.050   48.423   20.604   11.273   22.035  108.177   27.469   68.682   28.418 39.49573 39.52398 
1 1 1  -30   12    3 o  100.844   22.997   40.563   15.695   29.246   21.182   54.341   23.372   84.683   29.477  112.721   29.585 -28.03765 41.76287 
1 1 1  -30   12    4 o  101.431   29.132   44.608   21.529   54.000   30.449   35.220   30.445  106.963   35.363   90.496   34.695 16.46619 49.54126 
1 1 1  -30   12    5 o   99.098   25.048   41.220   17.188   52.828   21.930   22.732   27.676  109.724   28.590   78.696   32.126 31.02746 43.00532 
1 1 1  -30   12    6 o  155.081   21.427   96.288   22.384   96.634   33.233   96.000   30.283  140.778   34.400  144.430   31.206 -3.651428 46.44598 
1 1 1  -30   12    7 f   52.017   22.914   1.8859   16.040 -21.8763   23.069   24.129   22.319   48.275   23.255   75.002   29.443 -26.72762 37.51898 
1 1 1  -30   12    8 o   62.852   26.354   13.096   19.317   7.0233   22.526   29.971   37.551   60.676   26.919   78.893   34.890 -18.21682 44.06794 
1 1 1  -30   12    9 o   62.700   25.359   15.808   17.057   13.508   23.334   18.447   24.998   63.623   27.841   67.453   29.173 -3.830799 40.32614 
1 1 1  -30   12   10 f   55.742   23.916   9.9509   16.542   8.6625   23.656   11.184   23.142   58.948   26.747   60.136   26.941 -1.188633 37.96349 
1 1 1  -30   12   11 o  124.784   21.269   70.555   17.710   84.764   25.225   56.742   24.871  122.507   29.992   92.741   31.960 29.76624 43.82862 
1 1 1  -30   12   12 o   41.152   20.227 -19.0240   20.041 -29.7171   37.502 -14.7495   23.711   49.956   25.054   45.607   22.332 4.348385 33.56205 
1 1 1  -30   12   13 o   42.031   20.446  -9.6731   18.954   41.254   31.276 -39.2327   23.828   65.187   30.018   38.233   19.276 26.95406 35.67369 
1 1 1  -30   12   14 o   56.749   22.869   20.037   13.818   38.473   28.865   14.555   15.739   60.278   28.126   51.181   22.614 9.096996 36.08950 
1 1 1  -30   12   15 o   41.802   19.564   4.9421   14.137   29.185   30.548  -1.6655   15.948   51.525   25.254   39.485   19.098 12.04022 31.66258 
1 1 1  -30   14    1 o   96.162   23.696   37.088   15.669   11.037   21.066   69.351   23.443   67.415   27.831  130.173   26.909 -62.75738 38.71315 
1 1 1  -30   14    2 o   92.393   23.918   34.483   15.414   35.549   20.526   33.104   23.342   91.849   28.927   88.920   30.944 2.929314 42.35904 
1 1 1  -30   14    3 o  147.252   18.575   82.159   18.509   86.632   22.912   73.756   31.405  147.923   23.138  126.111   34.830 21.81212 41.81490 
1 1 1  -30   14    4 o   59.935   26.227   3.0899   20.705  -9.5951   29.728   15.039   28.853   62.251   28.876   74.569   31.779 -12.31792 42.93873 
1 1 1  -30   14    5 o  161.237   16.591   98.040   18.250  120.929   23.053   59.610   29.871  176.904   19.133  109.529   34.939 67.37552 39.83508 
1 1 1  -30   14    6 o   46.186   21.610 -10.3075   17.233  -0.9462   21.593 -26.7317   28.601   56.842   25.695   53.070   25.646 3.771961 36.30369 
1 1 1  -30   14    7 o   55.062   23.549   6.1374   15.945   15.562   22.399  -3.5459   22.704   67.431   28.332   55.617   25.598 11.81397 38.18267 
1 1 1  -30   14    8 o   55.725   24.789   4.1000   19.226  -2.8755   22.388   23.693   37.522   54.576   25.226   75.038   33.901 -20.46194 42.25637 
1 1 1  -30   14    9 o   64.382   25.511   17.991   16.904   30.857   23.726   4.7286   24.089   75.978   30.187   58.436   26.698 17.54177 40.29939 
1 1 1  -30   14   10 f   46.793   21.525  -1.4497   16.024 -20.3167   22.980   16.407   22.356   45.679   22.284   62.608   27.328 -16.92929 35.26213 
1 1 1  -30   14   11 o   63.551   25.224   20.886   16.550   23.195   23.665   18.675   23.155   64.683   28.178   61.795   27.360 2.888187 39.27589 
1 1 1  -30   14   12 o   38.409   19.004 -22.7786   18.714 -32.9024   36.056 -19.0456   21.895   48.315   24.276   42.562   20.964 5.753235 32.07473 
1 1 1  -30   14   13 o   35.258   17.356 -16.4464   14.934 -18.9268   33.999 -15.8535   16.623   47.618   23.878   37.371   18.380 10.24704 30.13263 
1 1 1  -30   14   14 o   79.384   24.286   39.323   14.587   79.463   31.683   28.526   16.432   76.757   33.020   62.493   25.025 14.26366 41.43188 
1 1 1  -30   14   15 o   29.743   14.969 -24.3259   14.024 -35.3366   32.009 -21.7101   15.602  ?   ?    32.116   16.114 0.000000 16.11420 
1 1 1  -30   16    1 o   85.586   27.083   30.353   17.976   39.381   21.302   8.0195   33.505   95.763   29.356   74.769   33.018 20.99355 44.18092 
1 1 1  -30   16    2 o  106.617   23.961   46.140   17.250   35.653   20.697   70.000   31.218   91.210   29.082  122.249   35.070 -31.03934 45.55991 
1 1 1  -30   16    3 o  105.898   27.574   48.076   20.409   43.366   27.823   53.561   30.027   96.923   33.781  105.826   35.123 -8.903351 48.73178 
1 1 1  -30   16    4 o   66.589   26.056   15.167   17.434   3.7372   22.181   33.639   28.198   61.408   27.001   87.020   33.384 -25.61272 42.93652 
1 1 1  -30   16    5 o   73.602   26.579   22.361   17.357   11.594   22.385   38.595   27.486   66.224   28.100   89.758   33.278 -23.53392 43.55478 
1 1 1  -30   16    6 o   98.415   23.916   41.553   16.130   46.107   22.495   36.732   23.143   97.979   30.190   87.360   30.785 10.61860 43.11748 
1 1 1  -30   16    7 o   43.107   20.367 -11.3123   15.977   6.2406   21.286 -33.9597   24.179   59.602   26.319   45.074   22.168 14.52834 34.41030 
1 1 1  -30   16    8 o   58.465   24.487   10.919   16.646   15.164   21.935   5.1549   25.561   64.797   27.664   60.693   27.641 4.104794 39.10599 
1 1 1  -30   16    9 o   39.226   18.985 -16.6762   15.823 -37.9842   22.193   5.3528   22.565   40.360   20.091   57.276   26.040 -16.91558 32.89007 
1 1 1  -30   16   10 o   52.225   23.073   6.5401   16.382 -33.4735   24.174   40.520   22.277   42.741   21.225   81.884   30.028 -39.14287 36.77260 
1 1 1  -30   16   11 o   86.281   26.155   40.876   16.973   45.299   24.603   36.859   23.446   80.116   31.062   74.009   29.802 6.106804 43.04652 
1 1 1  -30   16   12 f   56.553   25.855   15.555   22.638   0.0000   0.0000   15.555   22.638  ?   ?    56.553   25.855 0.000000 25.85474 
1 1 1  -30   16   13 o   46.356   20.921   6.7982   14.245 -35.9561   39.046   13.363   15.300   46.291   23.478   51.721   22.591 -5.429539 32.58178 
1 1 1  -30   16   14 o   40.239   19.338  -2.5009   15.714   75.122   32.034 -27.0993   18.033   72.141   32.049   34.153   17.161 37.98719 36.35432 
1 1 1  -30   16   15 o   49.392   22.216   18.256   15.908   13.815   32.233   19.687   18.290   46.290   23.217   49.414   22.826 -3.124512 32.55824 
1 1 1  -30   18    1 o   74.168   26.652   21.551   17.427   16.889   20.639   33.132   32.526   70.976   28.169   88.601   35.300 -17.62467 45.16143 
1 1 1  -30   18    2 o  138.935   23.567   77.863   21.852   66.780   30.054   90.293   31.830  118.414   34.539  140.199   33.298 -21.78420 47.97556 
1 1 1  -30   18    3 o   78.848   28.397   25.906   19.795   16.176   26.703   37.776   29.493   73.288   30.871   90.514   34.280 -17.22577 46.13192 
1 1 1  -30   18    4 o   68.428   25.926   17.721   16.873  -6.7173   20.428   70.195   29.934   52.740   24.276  119.239   34.380 -66.49879 42.08742 
1 1 1  -30   18    5 o  139.542   18.917   76.411   17.799   74.087   22.351   80.439   29.426  131.396   25.497  128.318   32.960 3.077377 41.67081 
1 1 1  -30   18    6 o   95.869   24.224   40.130   16.080   44.962   21.932   34.514   23.645   96.173   29.839   84.072   30.921 12.10120 42.97024 
1 1 1  -30   18    7 o  125.475   22.196   66.790   18.571   67.294   21.607   65.366   36.331  121.213   26.495  100.415   38.043 20.79864 46.35992 
1 1 1  -30   18    8 o  106.221   22.967   50.053   16.393   18.414   23.000   82.719   23.370   66.840   28.426  133.061   26.309 -66.22176 38.73246 
1 1 1  -30   18    9 o   52.328   22.848   6.3867   15.638 -18.5183   22.118   31.284   22.114   45.825   22.244   75.138   29.361 -29.31336 36.83537 
1 1 1  -30   18   10 o   50.402   22.635   4.5247   16.442   14.704   23.696  -4.9265   22.833   60.586   27.194   50.447   23.985 10.13892 36.25978 
1 1 1  -30   18   11 o   29.077   14.500 -23.6006   11.776 -33.9951   30.954 -21.8415   12.734   46.253   23.133   31.266   15.506 14.98733 27.84901 
1 1 1  -30   18   12 o   60.672   27.165   24.306   23.493   0.0000   0.0000   24.306   23.493  ?   ?    60.672   27.165 0.000000 27.16533 
1 1 1  -30   18   13 o   33.509   16.576 -17.7316   14.212   0.0000   0.0000 -17.7316   14.212  ?   ?    33.509   16.576 0.000000 16.57573 
1 1 1  -30   18   14 o   32.101   15.959 -17.7405   13.820   16.356   30.721 -26.3916   15.475   50.136   24.721   31.478   15.827 18.65819 29.35342 
1 1 1  -30   18   15 o   30.144   15.150 -21.3016   14.092 -18.7073   28.573 -22.1355   16.199   39.402   19.994   31.975   16.092 7.426338 25.66576 
1 1 1  -30   20    1 o   35.163   17.336 -28.4045   15.094 -49.6941   20.929  -5.3267   21.790   37.938   18.981   55.554   25.386 -17.61616 31.69728 
1 1 1  -30   20    2 o   37.957   18.770 -34.7767   18.172 -21.5808   21.346 -69.5122   34.633   47.191   22.641   49.210   24.590 -2.018833 33.42591 
1 1 1  -30   20    3 o   71.957   26.611   20.736   17.554   23.634   29.088   19.075   22.014   78.474   32.576   72.127   28.936 6.347015 43.57143 
1 1 1  -30   20    4 o   56.547   23.507   7.8484   15.179   28.336   20.387 -17.6364   22.738   79.883   28.813   49.959   23.804 29.92475 37.37375 
1 1 1  -30   20    5 o   95.987   23.923   39.781   15.836   19.615   21.611   63.170   23.273   70.784   28.574  116.510   28.981 -45.72567 40.69854 
1 1 1  -30   20    6 o   42.280   19.907 -10.1246   15.024 -19.9668   20.062   2.4441   22.671   44.781   21.600   58.358   26.360 -13.57744 34.07903 
1 1 1  -30   20    7 o   80.098   27.358   31.242   18.212   46.859   21.199 -12.7610   35.584   96.084   29.253   60.174   28.962 35.90926 41.16481 
1 1 1  -30   20    8 o   53.374   23.213   6.5501   16.004   15.028   23.095  -1.2823   22.198   63.746   27.802   53.776   24.948 9.970074 37.35419 
1 1 1  -30   20    9 o   44.369   20.627  -4.0548   15.300 -12.1574   22.211   3.2618   21.107   47.840   22.990   54.011   24.793 -6.171597 33.81155 
1 1 1  -30   20   10 f   52.939   23.744   7.3567   18.030 -13.4146   31.016   17.958   22.158   52.247   25.574   61.442   27.003 -9.195133 37.19101 
1 1 1  -30   20   11 o   66.039   26.617   26.523   18.722   65.268   32.382   7.0698   22.945   82.841   34.378   53.397   24.969 29.44373 42.48862 
1 1 1  -30   20   12 o   44.141   19.940   3.9905   12.976 -51.5610   35.643   12.478   13.932   43.774   22.225   51.729   22.065 -7.955280 31.31787 
1 1 1  -30   20   13 o   67.019   24.753   30.043   15.179   0.0000   0.0000   30.043   15.179  ?   ?    67.019   24.753 0.000000 24.75306 
1 1 1  -30   20   14 o   82.026   24.940   45.480   15.416   39.195   29.308   47.884   18.127   56.025   26.786   76.505   27.215 -20.48056 38.18513 
1 1 1  -30   22    1 o   53.448   22.739   4.7151   14.726   3.3645   20.154   6.2623   21.571   58.487   25.727   61.829   26.920 -3.342079 37.23637 
1 1 1  -30   22    2 o   59.685   25.022   8.6955   17.408   19.493   28.726   2.4290   21.885   75.050   31.838   59.412   26.437 15.63780 41.38306 
1 1 1  -30   22    3 f   34.096   17.142 -47.6289   18.127 -88.0488   33.658 -31.1164   21.513   44.419   22.453   43.427   21.266 0.9916077 30.92488 
1 1 1  -30   22    4 o   53.434   23.046   4.4391   15.513  -7.9090   21.594   17.609   22.301   52.564   24.460   69.479   28.655 -16.91449 37.67482 
1 1 1  -30   22    5 o   50.944   22.324   2.6067   15.049 -10.3760   19.766   20.512   23.212   48.729   22.909   71.182   29.281 -22.45301 37.17852 
1 1 1  -30   22    6 o   92.676   26.586   40.561   17.940   43.090   20.760   33.102   35.653   92.824   29.068   79.495   34.610 13.32880 45.19768 
1 1 1  -30   22    7 o  118.766   19.910   58.964   15.787   80.691   22.490   37.857   22.166  132.479   25.453   83.915   30.068 48.56442 39.39480 
1 1 1  -30   22    8 o   39.993   19.162 -12.6065   15.177 -25.2595   22.111  -1.3325   20.871   43.677   21.423   52.064   24.167 -8.387062 32.29546 
1 1 1  -30   22    9 o   47.560   21.729   0.5667   15.955 -27.2125   22.353   29.419   22.781   42.522   20.989   71.185   29.113 -28.66301 35.89041 
1 1 1  -30   22   10 o   45.866   20.118   4.5747   12.247   42.473   31.060  -2.4026   13.327   73.249   32.086   41.789   19.367 31.46033 37.47757 
1 1 1  -30   22   11 o   87.215   27.620   46.929   18.693   57.220   31.373   41.265   23.276   76.941   32.972   74.070   29.741 2.870872 44.40334 
1 1 1  -30   22   12 o   50.022   21.340   11.453   13.036 -18.3122   32.364   17.217   14.242   46.979   23.519   55.617   22.914 -8.637981 32.83639 
1 1 1  -30   22   13 o   65.934   24.798   30.275   15.370   0.0000   0.0000   30.275   15.370  ?   ?    65.934   24.798 0.000000 24.79795 
1 1 1  -30   22   14 o   38.066   19.259 -26.3902   25.194 -26.3902   25.194   0.0000   0.0000   38.066   19.259  ?   ?  0.000000 19.25869 
1 1 1  -30   24    1 o   66.970   24.305   17.939   14.540   24.862   20.302   10.648   20.835   75.905   28.509   63.624   27.057 12.28148 39.30458 
1 1 1  -30   24    2 o   90.547   26.408   36.801   17.571   28.868   29.088   41.358   22.048   80.221   32.863   92.910   30.058 -12.68867 44.53600 
1 1 1  -30   24    3 o  199.761   14.558  149.559   19.989  157.527   23.730  130.098   37.087  202.130   17.124  161.007   34.330 41.12276 38.36381 
1 1 1  -30   24    4 o   51.414   22.798   1.5352   16.135  -4.3111   21.953   8.4041   23.795   54.205   25.028   63.000   27.822 -8.795246 37.42287 
1 1 1  -30   24    5 o  137.593   17.592   74.908   16.369   71.857   21.601   79.022   25.088  126.478   25.556  128.557   28.899 -2.078804 38.57795 
1 1 1  -30   24    6 o   38.347   18.897 -27.9720   17.865 -19.1687   20.681 -53.8537   35.460   45.080   21.790   49.879   24.919 -4.798576 33.10216 
1 1 1  -30   24    7 o   62.312   24.440   16.653   15.366   15.905   21.179   17.483   22.327   63.474   27.143   64.986   27.831 -1.511814 38.87565 
1 1 1  -30   24    8 o   69.056   24.889   23.559   15.208   37.861   21.338   8.7928   21.681   80.999   29.437   57.553   25.907 23.44555 39.21312 
1 1 1  -30   24    9 o   37.350   17.651  -7.1536   12.012 -49.0732   29.342   1.2862   13.166   43.266   21.759   44.649   20.135 -1.383408 29.64555 
1 1 1  -30   24   10 o   40.827   19.912 -15.4411   18.307   28.873   31.625 -37.7748   22.451   64.847   29.976   38.660   19.388 26.18642 35.69938 
1 1 1  -30   24   11 o   68.424   22.647   25.311   12.486   61.951   30.364   17.854   13.698   78.960   33.072   57.734   22.937 21.22607 40.24741 
1 1 1  -30   24   12 o   34.102   16.656 -12.1880   12.947   23.327   29.951 -20.3485   14.357   56.171   26.915   32.864   16.327 23.30677 31.47949 
1 1 1  -30   24   13 o   43.032   20.614   1.5065   17.544   0.0000   0.0000   1.5065   17.544  ?   ?    43.032   20.614 0.000000 20.61357 
1 1 1  -30   24   14 o   52.149   21.966   19.912   13.519 -23.9902   26.429   35.471   15.734   38.339   19.431   64.912   24.929 -26.57358 31.60711 
1 1 1  -30   26    1 o   43.104   20.175  -9.1215   15.044 -14.6015   21.472  -3.8378   21.084   49.041   23.300   53.819   24.732 -4.777653 33.97865 
1 1 1  -30   26    2 o   78.291   29.810   28.672   22.378   0.0000   0.0000   28.672   22.378  ?   ?    78.291   29.810 0.000000 29.80976 
1 1 1  -30   26    3 o   55.672   23.598   7.5235   15.761  -1.5237   21.309   18.450   23.418   54.851   25.080   69.319   29.039 -14.46775 38.36985 
1 1 1  -30   26    4 o  125.451   19.648   64.298   16.499   70.806   21.851   55.666   25.165  124.717   26.151  102.347   31.997 22.37003 41.32350 
1 1 1  -30   26    5 o   98.831   24.267   44.330   16.478   68.386   21.769   12.056   25.215  120.652   26.769   64.166   28.473 56.48582 39.08107 
1 1 1  -30   26    6 o   41.679   19.679  -9.1114   14.873   2.4563   20.473 -22.0388   21.643   54.493   24.786   44.683   21.761 9.810642 32.98309 
1 1 1  -30   26    7 o   53.444   22.934   8.2456   15.215   10.431   20.821   5.7418   22.287   58.616   25.949   56.642   25.801 1.974495 36.59290 
1 1 1  -30   26    8 o   47.535   20.635   5.0667   12.600 -40.0390   26.248   18.571   14.363   42.924   21.443   62.468   23.859 -19.54429 32.07870 
1 1 1  -30   26    9 o   45.031   20.411   1.5883   13.729   67.756   30.160 -15.7082   15.420   91.720   34.683   37.724   18.371 53.99623 39.24755 
1 1 1  -30   26   10 o   43.915   20.849  -4.2191   17.131  -2.0776   27.807  -5.5291   21.749   51.513   24.990   46.995   22.624 4.517677 33.70992 
1 1 1  -30   26   11 o   46.333   20.221   7.4523   12.236   27.702   30.042   3.4249   13.398   59.778   28.147   43.931   20.009 15.84690 34.53432 
1 1 1  -30   26   12 o   58.032   22.518   20.285   12.938   32.366   29.770   17.472   14.366   58.057   27.540   54.200   22.727 3.857502 35.70626 
1 1 1  -30   26   13 o   39.486   19.258  -4.8340   17.128   0.0000   0.0000  -4.8340   17.128  ?   ?    39.486   19.258 0.000000 19.25773 
1 1 1  -30   26   14 o   51.842   22.191   21.688   14.181 -30.7366   31.423   35.094   15.891  ?   ?    62.143   24.700 0.000000 24.70004 
1 1 1  -30   28    1 o   71.621   25.955   22.873   16.572   16.888   27.331   26.352   20.839   69.364   30.248   75.154   28.731 -5.790443 41.71820 
1 1 1  -30   28    2 f  108.601   24.330   52.332   17.834   38.186   21.385   84.634   32.316   86.955   29.646  121.877   35.891 -34.92202 46.55126 
1 1 1  -30   28    3 o   76.201   25.545   26.942   15.875   18.351   21.602   37.030   23.409   67.467   28.045   83.934   30.782 -16.46706 41.64188 
1 1 1  -30   28    4 o   74.815   25.947   26.529   16.405   23.913   21.934   29.851   24.715   71.362   28.794   76.193   30.627 -4.831680 42.03709 
1 1 1  -30   28    5 o  158.182   21.426  107.420   22.854  108.049   28.999  106.390   37.126  146.594   29.601  126.734   38.740 19.85928 48.75473 
1 1 1  -30   28    6 o   39.008   18.732 -13.1292   14.686 -19.2462   20.251  -6.3427   21.331   43.630   21.203   50.006   23.598 -6.375984 31.72416 
1 1 1  -30   28    7 o   45.192   20.091   2.0962   12.612   11.800   26.415  -0.7690   14.353   60.772   27.837   45.120   20.612 15.65261 34.63745 
1 1 1  -30   28    8 o   37.563   17.797  -7.5577   12.358   32.317   28.283 -16.9669   13.739   69.902   30.619   35.053   17.129 34.84922 35.08443 
1 1 1  -30   28    9 o   38.917   18.281  -4.7566   12.539  -2.4585   27.122  -5.3813   14.141   51.927   25.064   40.605   19.177 11.32199 31.55875 
1 1 1  -30   28   10 o   57.418   22.067   17.076   12.334  -2.7927   29.498   21.286   13.578   50.983   24.952   61.966   23.307 -10.98326 34.14441 
1 1 1  -30   28   11 o   49.907   20.785   11.868   11.898  -3.6098   27.341   15.484   13.215   47.936   23.575   53.665   22.087 -5.729397 32.30490 
1 1 1  -30   28   12 o   41.796   19.561   2.2393   14.133 -31.2341   30.328   11.524   15.973   41.616   21.063   48.428   21.976 -6.812050 30.43967 
1 1 1  -30   28   13 o   40.606   19.441   1.8052   15.559   0.0000   0.0000   1.8052   15.559  ?   ?    40.606   19.441 0.000000 19.44134 
1 1 1  -30   30    1 o   82.348   27.215   33.195   18.034   21.302   29.505   40.287   22.785   71.119   31.209   86.907   30.554 -15.78876 43.67571 
1 1 1  -30   30    2 o   61.150   24.240   14.717   15.267  -5.9699   20.603   39.907   22.736   50.691   23.690   86.191   30.498 -35.49979 38.61774 
1 1 1  -30   30    3 o   84.833   29.681   38.382   21.490   38.382   21.490   0.0000   0.0000   84.833   29.681  ?   ?  0.000000 29.68119 
1 1 1  -30   30    4 o   59.198   24.314   13.249   15.975   23.789   21.911   1.2898   23.340   69.928   28.570   55.929   25.818 13.99914 38.50705 
1 1 1  -30   30    5 o   65.755   26.174   20.299   17.868   22.357   21.650   15.902   31.646   67.744   28.111   65.840   30.272 1.903770 41.31145 
1 1 1  -30   30    6 o   40.318   18.747  -4.6867   12.646   15.961   26.620 -10.7050   14.372   63.178   28.547   39.379   18.808 23.79835 34.18604 
1 1 1  -30   30    7 o   39.463   18.413  -4.7021   12.370 -12.5902   26.241  -2.4483   14.027   49.870   24.212   43.127   19.945 6.742741 31.36932 
1 1 1  -30   30    8 o   36.321   17.341  -8.7145   12.194 -24.6341   28.942  -5.2785   13.446   47.236   23.417   40.039   18.846 7.196796 30.05907 
1 1 1  -30   30    9 o   91.599   26.063   47.681   17.312   18.195   31.247   60.740   20.795   58.972   28.044   99.328   28.660 -40.35606 40.09845 
1 1 1  -30   30   10 o   47.011   20.137   8.4750   11.693 -31.1415   28.643   16.398   12.810   43.109   21.657   55.599   22.152 -12.49044 30.97953 
1 1 1  -30   30   11 o   32.966   16.100 -11.6424   12.084 -71.9512   28.966   1.0670   13.297  ?   ?    41.147   19.163 0.000000 19.16270 
1 1 1  -30   30   12 o   38.941   18.831  -4.0152   15.484   0.0000   0.0000  -4.0152   15.484  ?   ?    38.941   18.831 0.000000 18.83094 
1 1 1  -30   30   13 o   45.552   20.834   12.821   14.722   0.0000   0.0000   12.821   14.722  ?   ?    45.552   20.834 0.000000 20.83450 
1 1 1  -30   32    1 o   48.162   22.410  -4.7032   18.122  -0.2921   21.588 -15.2293   33.348   53.856   24.850   56.626   27.446 -2.769894 37.02415 
1 1 1  -30   32    2 o   49.498   22.157   2.0256   15.618   11.807   21.451  -9.0100   22.784   60.761   26.639   50.654   24.047 10.10722 35.88708 
1 1 1  -30   32    3 o  119.862   19.558   60.631   15.665   28.153   21.168   99.952   23.292   73.151   28.687  149.002   23.353 -75.85161 36.99075 
1 1 1  -30   32    4 o   56.784   24.396   10.716   17.252   8.9897   20.664   14.688   31.344   57.520   25.635   64.796   29.913 -7.275612 39.39516 
1 1 1  -30   32    5 o   80.422   22.874   30.747   13.338   47.444   26.985   25.350   15.343   84.176   32.560   70.842   25.055 13.33341 41.08428 
1 1 1  -30   32    6 o   53.839   21.949   11.478   12.897 -33.3561   27.319   24.335   14.630   45.066   22.410   68.983   24.458 -23.91747 33.17285 
1 1 1  -30   32    7 o   41.111   18.858  -1.2795   12.182 -39.7561   25.694   9.8781   13.836   41.576   20.835   51.892   22.058 -10.31611 30.34229 
1 1 1  -30   32    8 o   34.548   16.735 -11.9710   12.355   31.517   28.538 -22.0026   13.706   65.678   29.628   32.496   16.111 33.18271 33.72545 
1 1 1  -30   32    9 o   57.175   21.769   16.957   11.933   78.683   30.859   6.1043   12.939   89.657   34.781   46.072   20.423 43.58546 40.33334 
1 1 1  -30   32   10 o   59.326   21.819   19.652   11.774   58.195   27.587   11.068   13.019   75.282   31.526   49.230   21.172 26.05173 37.97605 
1 1 1  -30   32   11 o   26.807   13.556 -30.4223   12.375 -20.1024   27.078 -33.1470   13.913   42.138   21.154   28.256   14.297 13.88160 25.53271 
1 1 1  -30   32   12 o   46.125   20.666   11.544   13.620   0.0000   0.0000   11.544   13.620  ?   ?    46.125   20.666 0.000000 20.66608 
1 1 1  -30   34    1 o   48.981   22.728  -2.4981   18.436   20.434   32.125 -13.7593   22.512   67.589   30.861   47.850   23.031 19.73958 38.50776 
1 1 1  -30   34    2 o   48.707   22.548  -1.9771   17.994 -42.2195   32.005   16.622   21.759   47.872   23.878   62.932   27.218 -15.06028 36.20694 
1 1 1  -30   34    3 o   33.613   16.677 -26.4345   14.787 -29.7980   19.526 -21.9108   22.644   38.947   19.295   44.772   21.902 -5.824677 29.18889 
1 1 1  -30   34    4 o   67.566   22.880   21.941   12.737   24.815   24.624   20.891   14.883   67.545   29.084   65.233   24.427 2.312012 37.98122 
1 1 1  -30   34    5 o   51.645   21.377   9.7391   12.475   5.4390   26.814   10.927   14.092   56.757   26.684   53.739   22.520 3.018211 34.91684 
1 1 1  -30   34    6 o   49.724   23.157   1.2489   19.420 -25.9805   28.196   25.824   26.787   46.666   23.131   65.296   29.138 -18.62931 37.20306 
1 1 1  -30   34    7 o   75.966   22.653   29.501   12.810   19.820   27.398   32.209   14.491   60.450   27.928   77.146   24.306 -16.69539 37.02420 
1 1 1  -30   34    8 o   53.187   23.313   12.653   16.420   2.7805   28.156   17.742   20.213   52.289   25.312   57.232   25.440 -4.942928 35.88778 
1 1 1  -30   34    9 o   33.439   16.187  -9.9377   11.514 -28.5366   26.188  -5.4812   12.819   41.801   20.961   37.532   17.880 4.269337 27.55092 
1 1 1  -30   34   10 o   36.647   17.362  -3.5093   11.761 -18.1854   27.931  -0.3461   12.967   43.604   21.832   39.835   18.673 3.768383 28.72855 
1 1 1  -30   34   11 o   54.721   22.765   20.296   14.251  -1.1439   29.393   26.884   16.294   45.735   22.823   59.143   24.452 -13.40746 33.44836 
1 1 1  -30   34   12 o   38.454   18.514   0.0081   14.574   0.0000   0.0000   0.0081   14.574  ?   ?    38.454   18.514 0.000000 18.51425 
1 1 1  -30   36    1 o   51.383   22.558   6.5859   15.427   11.208   21.848   1.9888   21.788   58.311   26.146   53.185   24.689 5.125851 35.96075 
1 1 1  -30   36    2 o   48.095   22.388  -1.8658   18.116 -41.2780   32.275   16.261   21.889   47.341   23.669   61.297   26.891 -13.95602 35.82339 
1 1 1  -30   36    3 o   97.225   23.471   45.643   15.614   0.0000   0.0000   45.643   15.614  ?   ?    97.225   23.471 0.000000 23.47070 
1 1 1  -30   36    4 o  101.272   21.520   47.511   14.618   0.0000   0.0000   47.511   14.618  ?   ?   101.272   21.520 0.000000 21.51997 
1 1 1  -30   36    5 o   46.588   20.271   5.5308   12.216 -10.5902   28.452   9.1745   13.527   50.722   24.756   50.924   21.732 -0.2017403 32.94140 
1 1 1  -30   36    6 o   28.166   14.153 -28.7152   12.266 -54.3415   26.988 -22.0428   13.771   39.279   19.879   32.628   16.171 6.651478 25.62579 
1 1 1  -30   36    7 o   48.918   20.817   9.2583   12.349 -34.2098   26.123   21.768   14.014   41.687   20.907   62.521   23.642 -20.83399 31.56031 
1 1 1  -30   36    8 f   45.379   20.028   6.3719   12.310 -43.7659   27.051   19.467   13.825   39.730   20.086   58.575   23.115 -18.84497 30.62321 
1 1 1  -30   36    9 o   37.663   17.783  -2.9598   12.144 -43.5317   27.730   6.6679   13.508   39.292   19.913   45.343   20.426 -6.050438 28.52667 
1 1 1  -30   36   10 o   31.867   15.715 -14.1878   12.428 -71.9512   28.292  -0.3781   13.834  ?   ?    39.867   18.871 0.000000 18.87101 
1 1 1  -30   36   11 o   55.942   22.829   22.958   13.970   0.0000   0.0000   22.958   13.970  ?   ?    55.942   22.829 0.000000 22.82934 
1 1 1  -30   38    1 o   68.535   25.239   25.201   15.761   38.465   22.004   11.225   22.587   77.457   29.544   57.218   26.029 20.23957 39.37442 
1 1 1  -30   38    2 o  103.399   17.935   45.883   12.370   73.805   25.575   37.357   14.133  107.468   32.000   87.058   23.081 20.41046 39.45502 
1 1 1  -30   38    3 o   75.903   22.885   28.981   13.021   18.263   26.034   32.556   15.036   61.035   27.835   78.058   24.777 -17.02312 37.26490 
1 1 1  -30   38    4 o   68.387   23.874   24.937   13.900   0.0000   0.0000   24.937   13.900  ?   ?    68.387   23.874 0.000000 23.87430 
1 1 1  -30   38    5 o   61.655   23.339   20.158   13.667   0.0000   0.0000   20.158   13.667  ?   ?    61.655   23.339 0.000000 23.33940 
1 1 1  -30   38    6 o   53.308   22.191   13.390   13.552   0.0000   0.0000   13.390   13.552  ?   ?    53.308   22.191 0.000000 22.19073 
1 1 1  -30   38    7 o   50.469   23.458   8.3723   19.771   0.0000   0.0000   8.3723   19.771  ?   ?    50.469   23.458 0.000000 23.45811 
1 1 1  -30   38    8 o   67.262   24.149   28.293   14.304   0.0000   0.0000   28.293   14.304  ?   ?    67.262   24.149 0.000000 24.14873 
1 1 1  -30   38    9 o   44.047   20.025   6.2327   13.341   0.0000   0.0000   6.2327   13.341  ?   ?    44.047   20.025 0.000000 20.02462 
1 1 1  -30   38   10 o   44.345   20.826   7.2441   16.259   0.0000   0.0000   7.2441   16.259  ?   ?    44.345   20.826 0.000000 20.82572 
1 1 1  -30   38   11 o   42.758   19.996   8.7753   14.723   0.0000   0.0000   8.7753   14.723  ?   ?    42.758   19.996 0.000000 19.99638 
1 1 1  -30   40    1 o   59.804   22.259   17.798   12.320 -35.0732   25.137   34.514   14.134   41.616   20.819   81.430   23.667 -39.81330 31.52086 
1 1 1  -30   40    2 o   90.058   22.033   39.686   13.621   51.902   27.151   35.578   15.745   80.173   32.146   79.773   25.358 0.4008331 40.94390 
1 1 1  -30   40    3 o   43.789   19.505   3.3987   11.944 -12.3268   26.727   7.3231   13.352   48.082   23.578   48.312   21.103 -0.2302437 31.64246 
1 1 1  -30   40    4 o   36.741   17.393  -5.7978   11.759   17.610   26.803 -11.3772   13.086   58.121   27.114   35.668   17.264 22.45346 32.14377 
1 1 1  -30   40    5 o   48.347   20.543   9.1735   11.993   0.8151   30.678   10.681   13.030   52.138   25.502   50.250   21.384 1.887985 33.28109 
1 1 1  -30   40    6 o   30.796   15.410 -25.7241   13.811   0.0000   0.0000 -25.7241   13.811  ?   ?    30.796   15.410 0.000000 15.40958 
1 1 1  -30   40    7 o   34.953   17.083 -12.3608   13.683   0.0000   0.0000 -12.3608   13.683  ?   ?    34.953   17.083 0.000000 17.08292 
1 1 1  -30   40    8 o   39.136   18.967  -6.3969   15.917   0.0000   0.0000  -6.3969   15.917  ?   ?    39.136   18.967 0.000000 18.96701 
1 1 1  -30   40    9 o   53.344   23.290   20.272   16.245   0.0000   0.0000   20.272   16.245  ?   ?    53.344   23.290 0.000000 23.28956 
1 1 1  -30   40   10 o   42.193   19.709   6.9329   14.236   0.0000   0.0000   6.9329   14.236  ?   ?    42.193   19.709 0.000000 19.70912 
1 1 1  -30   42    1 o   81.356   21.642   33.219   12.399   9.1317   26.006   40.305   14.105   54.119   25.692   88.308   22.889 -34.18920 34.40892 
1 1 1  -30   42    2 o   50.782   21.458   11.008   12.967   13.483   25.637   10.157   15.031   55.590   26.121   50.797   22.284 4.792969 34.33496 
1 1 1  -30   42    3 o   42.475   19.169   2.6543   11.960   11.556   28.412   0.7371   13.185   54.845   26.262   42.286   19.479 12.55990 32.69735 
1 1 1  -30   42    4 o   38.792   17.982  -1.2395   11.498   25.600   27.447  -6.9524   12.663   59.574   27.673   36.784   17.592 22.79016 32.79158 
1 1 1  -30   42    5 o   34.487   16.611  -8.4593   11.759 -49.8537   26.872   1.3431   13.077   38.307   19.434   41.863   19.324 -3.556049 27.40627 
1 1 1  -30   42    6 o   37.053   18.105 -11.5718   15.338   7.2634   27.905 -19.7260   18.360   50.538   24.633   37.281   18.511 13.25716 30.81311 
1 1 1  -30   42    7 o   54.237   21.613   17.130   12.196   32.005   25.803   12.851   13.840   58.330   27.003   49.539   21.566 8.791382 34.55753 
1 1 1  -30   42    8 o   34.210   16.808 -11.5844   13.787   0.0000   0.0000 -11.5844   13.787  ?   ?    34.210   16.808 0.000000 16.80775 
1 1 1  -30   42    9 o   33.840   16.933 -18.7481   16.672   0.0000   0.0000 -18.7481   16.672  ?   ?    33.840   16.933 0.000000 16.93253 
1 1 1  -30   44    1 o   61.326   22.827   21.334   12.958   60.146   24.912   6.9366   15.173   83.831   31.563   47.464   21.490 36.36657 38.18403 
1 1 1  -30   44    2 o   43.676   19.522   4.7389   12.078  -2.7151   28.510   6.3692   13.333   49.202   24.172   45.870   20.507 3.331577 31.69908 
1 1 1  -30   44    3 o   40.561   18.644   1.0652   11.992 -14.9610   28.249   4.5880   13.245   45.677   22.726   44.203   20.040 1.473759 30.30010 
1 1 1  -30   44    4 o   55.220   21.596   16.777   11.972   31.820   28.909   13.663   13.153   59.512   27.891   51.512   21.680 7.999786 35.32662 
1 1 1  -30   44    5 o   67.030   24.856   30.214   15.336   50.390   26.764   20.351   18.713   68.804   29.971   55.313   24.538 13.49110 38.73410 
1 1 1  -30   44    6 o   32.907   16.081 -10.9974   12.118 -20.9171   26.344  -8.3354   13.647   41.564   20.866   35.919   17.444 5.645283 27.19730 
1 1 1  -30   44    7 o   39.875   18.442   2.8445   11.993   9.1951   25.883   1.1084   13.533   47.547   23.292   39.915   18.824 7.632275 29.94781 
1 1 1  -30   44    8 o   48.335   21.268   15.033   13.782   21.254   25.144   12.362   16.478   49.306   23.882   46.188   21.451 3.117889 32.10079 
1 1 1  -30   46    1 o   35.503   17.077  -7.1699   12.326 -27.1317   25.027  -0.7773   14.163   40.494   20.330   40.909   19.282 -0.4146538 28.01991 
1 1 1  -30   46    2 o   61.075   21.753   21.322   11.584  -3.5185   25.887   27.542   12.954   46.492   22.879   67.822   23.073 -21.33034 32.49337 
1 1 1  -30   46    3 o   35.007   16.751  -5.7550   11.516   1.5449   25.135  -7.6945   12.956   47.329   23.136   35.779   17.283 11.54947 28.87839 
1 1 1  -30   46    4 o   43.685   19.380   6.8499   11.674   2.6649   25.962   7.9105   13.070   47.302   23.204   45.217   20.253 2.084969 30.79921 
1 1 1  -30   46    5 o   55.047   23.244   20.640   15.199   51.463   26.783   5.9990   18.459   65.728   29.248   45.445   21.595 20.28366 36.35577 
1 1 1  -30   46    6 f   44.078   19.668   8.6324   12.203 -50.1463   25.159   26.715   13.954  ?   ?    61.244   23.487 0.000000 23.48692 
1 1 1  -30   46    7 o   39.851   18.529   4.1709   12.351  -0.6707   24.692   5.7866   14.264   42.702   21.246   41.741   19.572 0.9603577 28.88702 
1 1 1  -30   48    1 o   37.102   18.131  -9.3708   15.396   0.0000   0.0000  -9.3708   15.396  ?   ?    37.102   18.131 0.000000 18.13052 
1 1 1  -30   48    2 o   43.761   19.338   7.5411   11.513   25.249   24.585   2.5670   13.030   54.399   25.567   40.924   19.029 13.47548 31.87134 
1 1 1  -30   48    3 o   31.950   15.625 -10.5919   11.502   3.3024   23.224 -15.1072   13.239   45.603   22.281   32.347   16.001 13.25580 27.43130 
1 1 1  -30   48    4 o   56.799   23.171   22.992   14.384   60.195   24.185   2.6295   17.893   73.399   30.006   42.903   20.622 30.49654 36.40863 
1 1 1  -30   48    5 o   50.744   20.881   16.216   11.810   8.1854   26.048   18.294   13.250   45.891   22.653   51.957   21.808 -6.065777 31.44428 
1 1 1  -30   48    6 o   34.854   16.745  -2.9239   11.767   25.659   25.264 -10.8424   13.298   49.626   24.012   32.854   16.211 16.77184 28.97191 
1 1 1  -30   50    1 o   28.771   14.462 -23.4970   12.866 -39.7756   23.996 -16.9290   15.242   35.405   18.001   33.418   16.638 1.987816 24.51233 
1 1 1  -30   50    2 o   36.102   17.463  -4.6742   13.337 -23.1658   24.015   3.5725   16.038   38.145   19.246   41.854   19.956 -3.708706 27.72489 
1 1 1  -30   50    3 o   39.672   18.204   4.5063   11.365 -18.9463   25.560   10.285   12.688   39.334   19.847   44.596   19.966 -5.262077 28.15238 
1 1 1  -30   50    4 o   39.242   18.262   3.9957   12.043   5.4537   23.601   3.4825   14.003   43.568   21.517   39.961   18.936 3.607090 28.66257 
1 1 1  -30   52    1 o   35.811   17.114  -0.7995   11.940   19.161   24.137  -7.2670   13.739   46.795   22.831   34.322   16.846 12.47295 28.37305 
1 1 1  -29    1    1 o  114.109   19.569   48.103   14.899   50.216   21.261   46.064   20.884  113.797   27.337  108.862   27.661 4.934685 38.89006 
1 1 1  -29    1    2 o  184.851   12.474  120.847   15.866  122.943   22.263  118.684   22.616  184.506   17.649  180.971   18.308 3.534744 25.42997 
1 1 1  -29    1    3 o  146.078   15.289   76.664   15.229   89.219   21.351   63.663   21.727  155.653   20.303  128.974   25.244 26.67937 32.39573 
1 1 1  -29    1    4 o   59.547   23.975   7.5163   15.171   27.475   21.247 -13.2410   21.668   85.981   29.545   53.941   24.891 32.03972 38.63274 
1 1 1  -29    1    5 o   80.748   25.154   24.983   15.568   28.242   21.813   21.601   22.226   86.350   29.921   79.749   29.854 6.600845 42.26705 
1 1 1  -29    1    6 o  117.871   28.381   56.730   22.876   56.730   22.876   0.0000   0.0000  117.871   28.381  ?   ?  0.000000 28.38139 
1 1 1  -29    1    7 o   64.691   27.656   6.3526   21.976   3.6083   30.995   9.1268   31.164   71.298   31.607   74.476   32.391 -3.178238 45.25692 
1 1 1  -29    1    8 f   80.555   26.436   26.895   17.028   37.409   24.028   16.288   24.134   91.777   31.423   72.608   29.861 19.16901 43.34877 
1 1 1  -29    1    9 o   49.434   23.189 -12.1076   20.059 -43.9902   37.515   0.6561   23.736   56.959   27.932   60.393   27.153 -3.433315 38.95492 
1 1 1  -29    1   10 o   41.421   20.035 -20.6212   17.550 -37.5292   24.676  -3.3142   24.966   44.996   22.181   58.033   26.758 -13.03674 34.75601 
1 1 1  -29    1   11 o   40.885   20.134 -30.3109   20.170 -46.0779   24.575   2.2278   35.304   41.875   20.893   65.307   30.676 -23.43152 37.11473 
1 1 1  -29    1   12 o   40.747   20.104 -29.2021   20.433   25.117   36.031 -54.9519   24.808   71.398   32.632   39.392   19.836 32.00531 38.18825 
1 1 1  -29    1   13 o   81.298   26.929   36.096   17.653   59.964   25.184   13.035   24.754   96.769   32.169   60.136   27.315 36.63301 42.20100 
1 1 1  -29    1   14 o   38.703   19.054 -20.5491   18.019 -11.8614   26.362 -28.1676   24.687   48.515   23.711   42.871   21.317 5.643753 31.88455 
1 1 1  -29    1   15 o   52.571   23.478   12.710   17.426   22.791   24.649   2.6359   24.640   58.657   26.876   49.993   24.071 8.664291 36.07975 
1 1 1  -29    1   16 o   51.571   23.726   16.095   19.479   22.259   26.711   9.0927   28.468   53.743   25.661   49.561   24.310 4.181953 35.34719 
1 1 1  -29    3    1 o  141.424   15.617   71.873   15.031   75.126   21.101   68.522   21.416  142.100   22.180  134.889   23.810 7.210495 32.54011 
1 1 1  -29    3    2 o   51.845   22.416  -0.3013   14.751  -5.3757   20.594   5.0448   21.138   57.232   25.543   65.299   27.484 -8.067425 37.52103 
1 1 1  -29    3    3 o   86.222   24.537   28.407   15.342   6.1655   21.141   53.153   22.300   66.001   27.616  116.423   28.015 -50.42133 39.33767 
1 1 1  -29    3    4 o  266.736   9.5150  249.178   17.566  233.214   24.613  265.751   25.077  255.958   13.946  273.948   13.226 -17.99031 19.22047 
1 1 1  -29    3    5 o  291.051   9.2106  296.921   18.554  292.590   25.824  301.542   26.675  287.119   12.995  291.346   13.229 -4.227386 18.54390 
1 1 1  -29    3    6 o  127.746   22.204   62.756   18.919   26.532   32.514   81.299   23.263   88.158   35.237  144.570   24.097 -56.41223 42.68917 
1 1 1  -29    3    7 o  168.952   20.217  108.610   23.171   71.659   32.536  146.634   33.005  124.779   35.805  191.809   25.493 -67.03005 43.95369 
1 1 1  -29    3    8 o  127.828   20.178   63.584   17.260   64.918   24.662   62.304   24.163  121.771   29.559  119.313   29.442 2.457962 41.72001 
1 1 1  -29    3    9 o   66.424   26.032   15.662   17.422   42.698   24.831 -10.5518   24.451   94.610   31.947   55.337   25.843 39.27262 41.09077 
1 1 1  -29    3   10 f  106.409   25.759   50.324   18.767   89.463   26.409   10.396   26.675  140.256   28.184   66.608   29.434 73.64795 40.75176 
1 1 1  -29    3   11 o   87.362   29.315   38.856   20.907   30.281   25.596   56.049   36.241   77.359   31.143   92.478   37.118 -15.11951 48.45220 
1 1 1  -29    3   12 o   86.596   29.522   41.232   21.206   52.537   37.207   35.793   25.809   84.572   36.066   78.346   31.366 6.226357 47.79729 
1 1 1  -29    3   13 o   56.769   24.567   12.023   17.748   17.215   25.393   7.0640   24.817   62.487   28.091   57.074   26.443 5.412575 38.57869 
1 1 1  -29    3   14 o   36.997   18.345 -25.0204   17.793 -50.1509   26.517  -4.4389   23.997   39.741   20.072   49.467   23.802 -9.725697 31.13595 
1 1 1  -29    3   15 o   54.318   23.808   15.284   17.125   17.725   24.652   13.007   23.808   56.101   26.115   53.859   25.264 2.241447 36.33576 
1 1 1  -29    3   16 o   47.536   21.959   9.6470   16.928   25.532   26.604  -1.1598   21.944   54.895   26.038   44.619   21.769 10.27549 33.93959 
1 1 1  -29    5    1 o   94.525   22.656   33.916   14.629   46.398   20.603   21.223   20.776  109.252   27.319   79.675   29.033 29.57677 39.86485 
1 1 1  -29    5    2 o  230.600   10.340  186.314   16.503  171.419   22.638  203.209   24.109  219.230   15.010  238.938   14.649 -19.70815 20.97372 
1 1 1  -29    5    3 o  170.998   13.508  104.069   15.857  107.593   21.805  100.115   23.101  171.797   18.638  164.686   20.726 7.111145 27.87337 
1 1 1  -29    5    4 o   59.309   24.027   7.1365   15.340 -11.5794   21.591   26.215   21.799   54.641   25.079   84.703   29.875 -30.06246 39.00595 
1 1 1  -29    5    5 o   69.930   25.321   16.659   15.768   7.2946   21.589   27.367   23.086   66.509   27.873   85.698   30.688 -19.18839 41.45652 
1 1 1  -29    5    6 o   50.586   23.022  -7.2446   17.695   13.337   29.607 -18.6825   22.071   77.155   32.503   51.004   24.049 26.15053 40.43298 
1 1 1  -29    5    7 o   42.791   20.702 -25.3969   18.764 -29.4385   24.199 -19.3024   29.716   49.016   23.663   59.351   27.961 -10.33476 36.62943 
1 1 1  -29    5    8 o   55.913   25.572  -6.0872   22.176  -6.0390   34.271  -6.1220   29.085   67.549   31.218   63.097   29.015 4.452011 42.61952 
1 1 1  -29    5    9 o   58.761   24.740   7.8221   17.136   28.494   24.865 -10.8751   23.648   80.845   31.260   54.219   25.352 26.62653 40.24790 
1 1 1  -29    5   10 o   88.813   26.753   36.191   17.799   55.389   24.075   13.046   26.434  105.853   30.923   67.895   29.674 37.95869 42.85778 
1 1 1  -29    5   11 o  121.671   24.891   66.598   20.255   65.432   24.278   69.268   36.736  113.430   30.336  101.076   38.264 12.35315 48.83015 
1 1 1  -29    5   12 o   62.205   26.941   14.606   21.379  -1.9878   39.030   21.719   25.554   62.469   30.131   68.054   29.464 -5.584923 42.14270 
1 1 1  -29    5   13 o   59.167   25.403   14.851   18.685   30.454   27.228   0.9646   25.687   70.077   30.377   54.677   25.831 15.40017 39.87471 
1 1 1  -29    5   14 o   65.758   26.203   25.537   17.925   46.650   26.360   7.3749   24.448   77.052   31.392   54.310   25.516 22.74170 40.45390 
1 1 1  -29    5   15 o   43.801   21.139  -5.5598   19.282   8.5512   33.493 -12.5555   23.583   53.813   26.389   44.349   21.827 9.463184 34.24648 
1 1 1  -29    5   16 o   34.932   17.015  -9.4914   13.254   0.9707   28.013 -12.5088   15.044   47.062   23.279   35.659   17.527 11.40321 29.13944 
1 1 1  -29    7    1 o   38.966   18.617 -17.7663   14.104 -19.1028   19.555 -16.3172   20.362   47.993   22.632   50.642   23.628 -2.649101 32.71774 
1 1 1  -29    7    2 o  171.851   12.942  104.805   15.281   80.491   20.819  133.202   22.499  147.429   20.996  192.174   17.094 -44.74535 27.07518 
1 1 1  -29    7    3 o   93.854   23.489   33.821   15.222   32.791   21.524   34.853   21.530   92.176   29.685   94.559   29.601 -2.383041 41.92196 
1 1 1  -29    7    4 o  235.864   10.441  195.463   17.044  165.516   23.222  230.433   25.095  214.478   15.754  254.043   14.331 -39.56473 21.29715 
1 1 1  -29    7    5 o  243.221   10.546  208.391   17.753  193.702   24.619  224.305   25.625  231.717   15.439  249.765   14.891 -18.04749 21.45056 
1 1 1  -29    7    6 f   45.886   21.610 -15.5075   17.720 -23.8537   28.163 -10.0380   22.799   56.575   26.822   56.083   25.753 0.4914932 37.18348 
1 1 1  -29    7    7 o  138.890   20.072   73.930   18.735   73.059   24.071   75.268   29.839  133.056   27.060  129.845   33.103 3.211594 42.75607 
1 1 1  -29    7    8 o   47.561   22.306 -12.7034   18.544 -17.2244   23.889  -5.8488   29.416   52.500   24.835   63.324   29.142 -10.82413 38.28878 
1 1 1  -29    7    9 o   89.271   26.245   35.038   17.293   35.192   25.319   34.903   23.674   86.573   31.971   86.563   31.068 0.1004791E-01 44.57994 
1 1 1  -29    7   10 o   65.415   27.041   14.891   19.922   19.146   23.435   3.8039   37.829   70.429   29.238   69.182   32.253 1.246994 43.53300 
1 1 1  -29    7   11 o   63.369   25.688   15.759   17.545   21.213   23.818   9.2882   25.942   69.831   29.271   63.097   28.376 6.734371 40.76794 
1 1 1  -29    7   12 o   40.022   19.715 -26.9471   19.387 -28.8195   31.004 -25.7449   24.844   50.585   24.921   46.275   22.700 4.309879 33.70995 
1 1 1  -29    7   13 o   69.494   28.145   27.827   21.041   19.000   41.561   30.868   24.399   65.081   31.318   70.764   29.642 -5.683365 43.12144 
1 1 1  -29    7   14 o   62.259   24.017   20.880   14.650   66.537   33.962   10.443   16.238   81.711   34.638   52.539   23.102 29.17184 41.63542 
1 1 1  -29    7   15 o   35.723   17.893 -29.4712   18.836 -40.2732   32.029 -23.7599   23.289   43.239   21.860   41.021   20.446 2.217216 29.93167 
1 1 1  -29    7   16 o   41.529   19.436   2.3310   13.952   26.351   31.154  -3.6954   15.605   53.756   26.163   39.642   19.104 14.11320 32.39573 
1 1 1  -29    9    1 f  144.064   15.125   74.540   14.855   78.881   20.470   69.709   21.593  145.961   20.855  135.730   23.857 10.23158 31.68744 
1 1 1  -29    9    2 o   63.854   24.038   12.079   14.449   19.250   20.102   4.4124   20.784   76.774   28.460   64.114   27.133 12.65959 39.32134 
1 1 1  -29    9    3 o   42.510   20.002 -14.4795   15.120 -17.8723   21.044 -10.8595   21.738   50.668   23.763   55.282   25.297 -4.613800 34.70713 
1 1 1  -29    9    4 f   87.026   24.756   29.436   15.621   25.704   21.536   33.579   22.693   83.641   29.673   92.477   30.527 -8.836227 42.57209 
1 1 1  -29    9    5 o  143.639   16.861   75.685   16.443   39.843   23.215  111.771   23.294   98.515   30.721  173.178   19.789 -74.66367 36.54309 
1 1 1  -29    9    6 o  105.330   25.111   44.632   18.047   48.580   30.617   42.529   22.342  104.774   35.473  100.507   29.904 4.266777 46.39634 
1 1 1  -29    9    7 o  101.940   25.835   43.084   18.251   25.213   23.603   69.659   28.782   80.677   30.640  124.354   32.924 -43.67685 44.97531 
1 1 1  -29    9    8 o  134.320   21.689   71.796   19.476   81.636   24.318   54.195   32.522  139.475   26.153  103.785   36.502 35.69028 44.90409 
1 1 1  -29    9    9 f  109.200   23.188   49.836   16.984   52.570   23.417   46.803   24.670  105.450   30.410   98.005   31.803 7.445717 44.00249 
1 1 1  -29    9   10 o   73.463   28.291   23.951   20.303   24.755   24.287   22.088   36.994   74.710   30.245   76.042   34.065 -1.331581 45.55433 
1 1 1  -29    9   11 o   43.569   20.683 -11.4691   16.855 -25.7670   24.054   2.3220   23.624   46.518   22.717   57.609   26.365 -11.09122 34.80202 
1 1 1  -29    9   12 o   67.557   26.560   22.344   18.188  -8.6065   25.199   56.002   26.278   52.164   24.911   94.786   32.841 -42.62165 41.21998 
1 1 1  -29    9   13 o   41.771   20.490 -21.0336   20.233  -7.6439   40.071 -25.6156   23.441   57.700   28.408   43.524   21.485 14.17522 35.61801 
1 1 1  -29    9   14 o   39.413   18.781  -7.0828   14.159  -6.3171   31.062  -7.2837   15.908   51.827   25.415   41.314   19.747 10.51233 32.18523 
1 1 1  -29    9   15 f   47.992   21.203   8.8180   13.834   18.839   30.953   6.3166   15.465   55.855   26.914   46.969   21.433 8.885841 34.40541 
1 1 1  -29    9   16 o   65.579   23.971   29.351   14.180   5.1902   30.846   35.825   15.967   47.956   23.842   69.941   25.456 -21.98489 34.87807 
1 1 1  -29   11    1 o   73.195   24.207   19.444   14.267  -7.5814   19.660   49.512   20.737   54.244   24.520  112.494   26.981 -58.25032 36.45809 
1 1 1  -29   11    2 o   56.336   23.199   5.1331   14.590   10.020   19.992  -0.4368   21.342   67.635   27.419   61.152   26.697 6.482925 38.26920 
1 1 1  -29   11    3 o  102.707   22.530   40.406   15.575   41.368   21.344   39.310   22.778  101.803   28.930   99.182   30.349 2.621056 41.92867 
1 1 1  -29   11    4 o   67.597   25.142   14.741   15.714   7.7118   21.401   22.965   23.147   66.613   27.821   81.379   30.466 -14.76604 41.25733 
1 1 1  -29   11    5 o   54.422   24.069  -1.9804   17.870 -15.3317   29.814   5.5050   22.324   62.189   28.873   65.359   27.906 -3.169678 40.15425 
1 1 1  -29   11    6 o  129.187   18.857   63.050   16.363   62.159   24.146   63.807   22.252  121.655   29.074  125.150   26.515 -3.494812 39.34854 
1 1 1  -29   11    7 o   78.124   27.159   24.626   17.978   30.765   22.797   14.527   29.239   85.447   30.506   75.017   31.981 10.43021 44.19744 
1 1 1  -29   11    8 o   87.816   27.488   33.708   18.566   35.637   23.014   30.112   31.419   88.704   30.733   84.326   34.305 4.378792 46.05806 
1 1 1  -29   11    9 o  106.595   24.375   48.680   17.592   90.186   24.275   2.7770   25.529  145.531   25.002   62.276   28.065 83.25537 37.58607 
1 1 1  -29   11   10 o   68.015   25.907   19.463   16.905   47.172   24.703  -4.9435   23.184   94.828   31.865   54.803   25.449 40.02494 40.78046 
1 1 1  -29   11   11 o  122.082   29.344   74.801   24.488   74.801   24.488   0.0000   0.0000  122.082   29.344  ?   ?  0.000000 29.34435 
1 1 1  -29   11   12 o   47.021   21.904  -3.8316   17.392   5.9016   24.318 -14.0221   24.883   57.629   26.512   49.673   23.983 7.956249 35.75012 
1 1 1  -29   11   13 o   59.594   23.869   16.902   14.953   0.0000   0.0000   16.902   14.953  ?   ?    59.594   23.869 0.000000 23.86950 
1 1 1  -29   11   14 o   66.095   26.811   27.750   19.126  -6.3756   29.724   51.864   24.986   50.910   24.944   81.227   31.356 -30.31694 40.06775 
1 1 1  -29   11   15 o   49.122   21.470   10.500   13.839   4.4571   32.208   11.869   15.326   51.516   25.384   50.596   22.337 0.9203911 33.81276 
1 1 1  -29   11   16 o   41.324   19.349   2.9163   13.857  -3.7824   30.014   4.7311   15.622   45.424   22.727   43.310   20.364 2.113884 30.51575 
1 1 1  -29   13    1 o   73.083   24.793   19.225   14.956   37.634   20.401  -2.1683   21.992   97.610   28.452   60.766   26.796 36.84445 39.08365 
1 1 1  -29   13    2 o   59.481   23.752   8.1170   14.756  -3.3937   19.799   22.500   22.132   56.881   25.236   80.902   29.888 -24.02025 39.11746 
1 1 1  -29   13    3 o  116.344   27.681   54.008   21.966   0.0000   0.0000   54.008   21.966  ?   ?   116.344   27.681 0.000000 27.68050 
1 1 1  -29   13    4 o   59.087   23.956   7.5655   15.261   30.065   20.590 -19.8597   22.733   87.415   29.089   51.660   24.373 35.75478 37.94992 
1 1 1  -29   13    5 o   99.874   26.067   40.390   18.211   31.551   30.899   45.095   22.542   90.584   34.897  103.736   29.814 -13.15153 45.89818 
1 1 1  -29   13    6 o   74.244   25.583   21.317   15.936   19.066   22.650   23.523   22.427   75.183   29.613   79.149   29.913 -3.966187 42.09184 
1 1 1  -29   13    7 o  155.305   18.034   91.481   19.024   86.269   23.786  100.732   31.690  145.732   24.449  150.779   31.388 -5.047455 39.78596 
1 1 1  -29   13    8 o   80.069   27.660   27.678   18.635   22.676   23.140   36.907   31.433   75.767   29.904   88.527   34.880 -12.76002 45.94415 
1 1 1  -29   13    9 o   52.336   23.764  -2.3648   18.715   23.256   22.377 -62.0000   34.139   74.283   29.378   49.069   24.504 25.21376 38.25645 
1 1 1  -29   13   10 o  107.428   23.129   50.092   16.688   78.353   25.150   27.862   22.305  127.812   29.085   76.297   29.578 51.51579 41.48234 
1 1 1  -29   13   11 o   47.200   21.692  -2.7966   16.225   18.185   23.416 -22.1724   22.502   66.350   28.461   45.654   22.224 20.69600 36.10951 
1 1 1  -29   13   12 o   48.046   22.042  -0.3476   16.650   5.5093   23.574  -6.1768   23.519   56.619   26.068   51.237   24.355 5.382244 35.67538 
1 1 1  -29   13   13 o   65.654   26.549   24.103   18.692   0.0000   0.0000   24.103   18.692  ?   ?    65.654   26.549 0.000000 26.54895 
1 1 1  -29   13   14 o   42.037   19.655  -1.8532   14.214  -7.4195   31.933  -0.4780   15.873   51.112   25.202   44.407   20.766 6.704891 32.65554 
1 1 1  -29   13   15 o   38.542   18.356  -4.3256   13.488   21.020   31.368 -10.0751   14.940   55.391   26.790   37.381   18.176 18.01022 32.37401 
1 1 1  -29   13   16 o   38.252   18.339  -2.2562   13.948   3.4361   31.054  -3.6949   15.612   46.516   23.251   38.868   18.824 7.648178 29.91530 
1 1 1  -29   15    1 o  224.860   12.612  179.572   19.549  142.146   31.206  203.747   25.080  193.727   23.773  238.154   15.297 -44.42709 28.26908 
1 1 1  -29   15    2 o  102.626   21.900   40.358   15.081   24.676   20.471   58.969   22.302   81.876   28.943  121.919   27.129 -40.04236 39.66951 
1 1 1  -29   15    3 o   81.353   24.784   25.699   15.213   41.696   20.706   6.9370   22.424  101.442   28.378   66.897   28.240 34.54478 40.03548 
1 1 1  -29   15    4 o  154.432   15.446   86.851   16.288   73.703   22.691  100.828   23.395  136.944   24.856  163.107   21.227 -26.16338 32.68629 
1 1 1  -29   15    5 o   55.757   25.424  -7.3979   21.709   0.0000   0.0000  -7.3979   21.709  ?   ?    55.757   25.424 0.000000 25.42390 
1 1 1  -29   15    6 o   51.853   22.670   0.4846   15.440   20.276   21.941 -18.9298   21.732   75.330   29.299   49.557   23.514 25.77353 37.56751 
1 1 1  -29   15    7 f   74.292   26.523   22.173   17.232   18.703   20.898   29.541   30.455   72.162   28.438   84.450   33.980 -12.28841 44.31012 
1 1 1  -29   15    8 o  110.048   24.671   51.461   18.326   74.627   22.102   0.4917   32.785  132.938   24.938   67.242   30.878 65.69613 39.69096 
1 1 1  -29   15    9 o   60.024   25.883   8.1656   19.559   6.2888   23.269   12.683   36.101   61.715   27.371   72.316   32.901 -10.60165 42.79771 
1 1 1  -29   15   10 o   79.815   25.375   29.593   15.766   25.042   23.904   33.098   20.975   73.307   29.883   81.132   29.230 -7.825478 41.80222 
1 1 1  -29   15   11 o   44.672   20.883  -6.2876   16.030   7.7107   23.183 -19.1105   22.189   59.148   26.692   46.128   22.365 13.02090 34.82290 
1 1 1  -29   15   12 f   38.059   17.904  -6.7289   12.103 -26.0585   30.081  -2.9953   13.220   49.440   24.393   42.102   19.433 7.337536 31.18791 
1 1 1  -29   15   13 o   39.710   19.545 -21.2854   18.917 -67.7561   35.113  -2.2802   22.455   43.552   22.107   49.881   23.736 -6.329262 32.43683 
1 1 1  -29   15   14 o   46.371   21.253   3.8531   15.427   0.0000   0.0000   3.8531   15.427  ?   ?    46.371   21.253 0.000000 21.25257 
1 1 1  -29   15   15 f   41.773   19.479   1.2646   13.807  -1.8878   30.969   2.0467   15.425   48.622   24.125   43.425   20.359 5.196667 31.56749 
1 1 1  -29   15   16 o   46.540   21.284   11.877   15.357   98.146   31.383 -15.2826   17.609   80.555   33.671   35.990   17.912 44.56544 38.13875 
1 1 1  -29   17    1 o  199.903   13.331  142.826   18.339  145.573   21.931  136.439   33.437  200.477   15.937  186.966   26.589 13.51160 30.99964 
1 1 1  -29   17    2 o   92.026   23.963   33.281   15.413   49.508   20.933   14.068   22.778  110.808   27.439   72.765   29.348 38.04391 40.17777 
1 1 1  -29   17    3 o  100.827   22.145   39.513   15.031   39.226   20.241   39.866   22.443   97.952   28.280   98.174   30.139 -0.2220230 41.32944 
1 1 1  -29   17    4 o   64.671   26.053   10.872   17.927  -9.1463   29.339   22.799   22.646   63.869   29.285   79.395   30.046 -15.52645 41.95710 
1 1 1  -29   17    5 o   52.125   22.911  -0.3896   15.958   18.409   22.228 -20.3826   22.923   74.293   29.313   50.765   24.106 23.52778 37.95146 
1 1 1  -29   17    6 o  104.511   21.823   43.588   15.276   54.883   20.318   28.901   23.169  114.455   26.213   83.269   30.610 31.18604 40.30011 
1 1 1  -29   17    7 o  128.740   21.135   65.969   18.178   76.526   22.150   44.190   31.815  136.010   24.428   94.742   35.669 41.26881 43.23164 
1 1 1  -29   17    8 o   63.378   26.930   10.468   20.608   10.468   20.608   0.0000   0.0000   63.378   26.930  ?   ?  0.000000 26.92957 
1 1 1  -29   17    9 o   81.687   25.782   30.401   16.298   40.418   23.446   21.035   22.671   89.198   31.014   71.295   29.087 17.90366 42.51987 
1 1 1  -29   17   10 o   57.297   24.078   10.076   16.183   45.312   24.727 -16.3259   21.404   90.392   31.825   47.063   22.604 43.32883 39.03534 
1 1 1  -29   17   11 o   98.566   18.869   40.862   12.403   49.659   29.368   38.953   13.683   86.735   33.851   93.569   21.571 -6.833145 40.13991 
1 1 1  -29   17   12 o   55.766   21.830   13.258   12.242   59.073   29.756   3.9233   13.432   88.855   34.241   47.233   20.879 41.62132 40.10463 
1 1 1  -29   17   13 o   53.635   23.928   10.368   18.052   0.1888   33.154   14.657   21.521   55.174   26.883   57.434   25.836 -2.259953 37.28558 
1 1 1  -29   17   14 o   46.690   23.387 -23.9512   32.186   0.0000   0.0000 -23.9512   32.186  ?   ?    46.690   23.387 0.000000 23.38651 
1 1 1  -29   17   15 o   55.684   22.820   19.095   14.033  -0.7878   29.549   24.885   15.946   47.831   23.703   60.086   24.441 -12.25557 34.04688 
1 1 1  -29   19    1 o   57.767   23.698   6.5641   15.153   10.278   20.896   2.4454   22.005   67.559   27.785   62.834   27.273 4.724819 38.93401 
1 1 1  -29   19    2 o  198.143   12.491  140.325   17.043  118.356   24.004  162.656   24.201  177.647   19.863  210.802   16.725 -33.15550 25.96671 
1 1 1  -29   19    3 o  117.710   19.198   52.496   15.102   57.136   21.218   47.733   21.498  118.611   26.513  107.054   28.507 11.55713 38.93073 
1 1 1  -29   19    4 o  158.059   22.565   97.352   23.984   0.0000   0.0000   97.352   23.984  ?   ?   158.059   22.565 0.000000 22.56514 
1 1 1  -29   19    5 o   44.264   20.608 -10.2541   15.362  -2.0438   20.849 -20.0048   22.721   57.078   25.571   50.314   23.923 6.764065 35.01702 
1 1 1  -29   19    6 f  116.182   20.893   53.440   16.183   71.548   19.791   16.907   28.111  133.827   22.141   74.727   31.586 59.10017 38.57362 
1 1 1  -29   19    7 o   56.582   24.129   5.8337   16.654  -6.6409   19.876   35.234   30.513   51.942   23.923   86.738   34.306 -34.79550 41.82314 
1 1 1  -29   19    8 o   59.782   26.666   3.7654   22.408   3.7654   22.408   0.0000   0.0000   59.782   26.666  ?   ?  0.000000 26.66564 
1 1 1  -29   19    9 o   48.895   22.142  -1.4857   16.117 -10.0514   23.566   6.0418   22.092   52.607   24.819   59.647   26.551 -7.040646 36.34417 
1 1 1  -29   19   10 o   86.455   27.097   37.133   18.036 -14.0098   30.994   63.317   22.177   55.937   26.948  112.845   28.413 -56.90856 39.16000 
1 1 1  -29   19   11 o   43.961   19.624   0.9015   12.161   29.107   28.836  -5.1996   13.411   71.599   31.149   41.314   19.242 30.28537 36.61323 
1 1 1  -29   19   12 o   62.552   25.883   19.705   18.280   5.6341   31.792   26.654   22.343   58.458   27.935   67.687   28.360 -9.228989 39.80782 
1 1 1  -29   19   13 o   29.350   14.691 -26.4115   12.598 -29.4732   30.026 -25.7574   13.878   45.959   22.956   31.507   15.717 14.45226 27.82056 
1 1 1  -29   19   14 f   34.111   16.936 -21.5553   15.363   0.0000   0.0000 -21.5553   15.363  ?   ?    34.111   16.936 0.000000 16.93628 
1 1 1  -29   19   15 o   46.533   21.478   8.5274   16.146 -38.6927   31.972   24.692   18.706   41.217   20.939   57.003   24.937 -15.78564 32.56174 
1 1 1  -29   21    1 f   63.604   25.492   10.694   17.067   24.740   20.666 -19.4293   30.266   80.422   29.009   60.395   28.380 20.02690 40.58227 
1 1 1  -29   21    2 o   87.983   27.808   31.752   18.956   32.604   21.991   29.288   37.393   88.890   30.064   90.309   37.159 -1.418701 47.79757 
1 1 1  -29   21    3 o  146.411   16.885   79.709   16.796   51.085   22.951  112.717   24.646  109.192   29.619  171.158   21.264 -61.96611 36.46146 
1 1 1  -29   21    4 o   53.317   24.454  -7.7435   20.477   23.590   28.342 -41.9610   29.617   81.008   32.715   51.258   25.069 29.74987 41.21538 
1 1 1  -29   21    5 f   53.549   23.256   2.1369   16.019   16.183   19.421 -27.7512   28.330   69.230   27.373   53.710   25.848 15.52024 37.64843 
1 1 1  -29   21    6 o   76.421   26.300   24.465   16.840   24.220   20.173   25.029   30.585   76.578   28.486   80.282   33.371 -3.704269 43.87555 
1 1 1  -29   21    7 o   67.756   25.901   17.775   16.936   17.478   20.354   18.444   30.534   69.046   27.780   74.431   32.216 -5.385162 42.53969 
1 1 1  -29   21    8 o   58.194   24.690   8.5628   17.279   19.321   21.160 -12.9707   29.936   69.647   28.218   57.814   27.480 11.83364 39.38823 
1 1 1  -29   21    9 o   46.908   21.483  -3.2686   15.725  -7.6963   23.136   0.5325   21.437   52.764   24.800   55.324   25.241 -2.560017 35.38575 
1 1 1  -29   21   10 o   37.993   17.850  -7.5205   11.964   22.859   28.115 -14.2389   13.221   69.797   30.551   36.410   17.555 33.38712 35.23589 
1 1 1  -29   21   11 o   95.163   19.536   39.299   12.436   53.805   31.564   36.634   13.530   85.106   34.470   89.123   22.055 -4.017105 40.92211 
1 1 1  -29   21   12 o   74.470   27.416   32.853   18.595   17.288   31.667   41.044   22.973   61.717   29.010   78.296   30.110 -16.57986 41.81114 
1 1 1  -29   21   13 o   63.227   23.143   21.615   13.222   33.493   31.088   18.992   14.610   64.723   29.848   59.396   23.660 5.327015 38.08824 
1 1 1  -29   21   14 o   54.804   23.168   16.928   15.127   0.0000   0.0000   16.928   15.127  ?   ?    54.804   23.168 0.000000 23.16801 
1 1 1  -29   21   15 o  ?   ?  -42.1902   34.287 -42.1902   34.287   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1  -29   23    1 o   92.512   25.176   35.051   16.550   26.355   20.125   53.220   29.089   81.202   28.698  107.992   34.482 -26.78987 44.86176 
1 1 1  -29   23    2 o   84.534   26.564   29.467   17.320   33.636   20.831   20.127   31.177   89.160   29.239   80.372   33.574 8.787407 44.52094 
1 1 1  -29   23    3 o   96.166   30.061   40.521   22.213   15.756   30.403   68.878   32.533   76.531   32.618  119.717   36.192 -43.18587 48.72176 
1 1 1  -29   23    4 o   62.149   25.436   10.261   17.405  -0.4146   21.023   33.522   31.032   57.865   25.818   88.037   34.667 -30.17178 43.22459 
1 1 1  -29   23    5 o   75.405   25.991   23.515   16.449   24.640   19.416   20.654   30.960   77.091   28.070   77.908   33.051 -0.8165970 43.36267 
1 1 1  -29   23    6 o  127.047   20.546   64.504   17.449   60.461   21.150   73.122   30.879  117.698   26.591  119.819   35.027 -2.121559 43.97648 
1 1 1  -29   23    7 o   66.336   27.464   14.983   20.599   14.983   20.599   0.0000   0.0000   66.336   27.464  ?   ?  0.000000 27.46443 
1 1 1  -29   23    8 f   93.170   24.072   38.591   15.633   49.934   21.760   26.490   22.474  100.530   29.407   75.295   29.549 25.23544 41.68858 
1 1 1  -29   23    9 o  110.047   17.080   48.409   12.587   21.600   30.759   53.802   13.796   70.994   31.479  115.421   17.845 -44.42688 36.18483 
1 1 1  -29   23   10 o   46.210   20.257   2.9320   12.402  -4.9610   31.186   4.4148   13.517   57.609   27.567   48.763   21.268 8.845695 34.81750 
1 1 1  -29   23   11 o   51.946   23.333   5.5548   17.481   34.610   27.782 -13.4868   22.491   72.795   31.107   46.896   22.682 25.89892 38.49845 
1 1 1  -29   23   12 o   94.348   19.590   40.287   12.374   26.063   27.208   43.995   13.893   64.439   29.013   96.489   21.368 -32.04991 36.03220 
1 1 1  -29   23   13 o   40.642   18.941  -1.6357   13.028  -5.2293   30.355  -0.8244   14.424   50.514   24.842   42.584   19.874 7.929424 31.81374 
1 1 1  -29   23   14 o   47.190   22.056   6.3777   17.870   0.0000   0.0000   6.3777   17.870  ?   ?    47.190   22.056 0.000000 22.05647 
1 1 1  -29   23   15 o   35.024   17.340 -13.7013   15.674   0.0000   0.0000 -13.7013   15.674  ?   ?    35.024   17.340 0.000000 17.34003 
1 1 1  -29   25    1 o   55.872   23.019   6.8240   14.372  -1.3071   20.057   15.405   20.605   56.435   25.196   69.700   27.983 -13.26493 37.65552 
1 1 1  -29   25    2 o   74.493   26.967   21.816   17.883   16.101   21.878   33.322   31.043   70.938   28.710   88.211   34.693 -17.27274 45.03165 
1 1 1  -29   25    3 o   52.460   24.455 -11.4355   21.741  -1.8195   29.178 -23.4390   32.600   64.944   29.559   59.329   28.333 5.615505 40.94550 
1 1 1  -29   25    4 o   50.800   23.514  -8.6161   19.558 -32.2927   25.252   26.878   30.918   48.261   23.504   81.893   33.753 -33.63222 41.13040 
1 1 1  -29   25    5 o   49.611   22.558  -4.0388   16.940 -19.0413   20.383   29.459   30.457   46.573   22.286   82.332   33.666 -35.75849 40.37433 
1 1 1  -29   25    6 o   77.437   26.812   26.504   17.514   48.356   21.190 -20.6146   31.116  101.791   28.790   56.963   27.331 44.82862 39.69673 
1 1 1  -29   25    7 o   67.533   25.166   19.028   15.759   15.334   21.149   23.639   23.629   66.134   27.641   73.657   29.828 -7.523216 40.66608 
1 1 1  -29   25    8 o  140.747   13.786   74.952   13.257  126.341   29.070   61.459   14.896  166.934   26.008  123.883   17.892 43.05159 31.56786 
1 1 1  -29   25    9 o  135.372   13.997   70.313   12.925   83.610   30.096   67.306   14.312  118.958   34.524  130.321   16.218 -11.36249 38.14375 
1 1 1  -29   25   10 o   36.602   17.363  -8.7407   11.837  -9.9171   28.755  -8.5007   12.988   53.702   25.892   38.593   18.273 15.10826 31.69093 
1 1 1  -29   25   11 o   63.229   25.627   20.547   17.460   49.951   29.582   4.8274   21.629   80.441   33.069   53.548   24.766 26.89250 41.31445 
1 1 1  -29   25   12 o   61.400   22.287   19.233   12.226   64.244   27.928   8.5608   13.599   88.444   33.392   49.641   21.493 38.80289 39.71085 
1 1 1  -29   25   13 o   42.392   19.620   0.7989   13.611 -44.4537   30.446   12.102   15.216   41.918   21.203   51.568   22.526 -9.650124 30.93578 
1 1 1  -29   25   14 o   46.104   20.836   8.2386   14.187 -18.7415   29.301   16.501   16.215   43.733   21.962   52.464   23.077 -8.730835 31.85727 
1 1 1  -29   27    1 o  276.144   8.9374  269.904   17.081  270.486   24.094  269.315   24.220  273.318   12.737  272.632   12.836 0.6861572 18.08262 
1 1 1  -29   27    2 o  156.046   14.875   90.360   15.871   79.939   21.733  102.264   23.230  140.320   23.189  160.609   21.433 -20.28937 31.57662 
1 1 1  -29   27    3 o   71.220   25.225   20.465   15.558  -7.6205   21.268   52.791   22.817   53.313   24.622  107.599   29.677 -54.28640 38.56114 
1 1 1  -29   27    4 o   50.814   22.579  -0.1794   15.906  -4.7505   21.108   5.8271   24.197   54.314   24.881   63.503   28.050 -9.188633 37.49438 
1 1 1  -29   27    5 o   50.005   22.194   0.2539   15.326   41.866   20.674 -50.5143   22.836   94.525   28.911   39.668   19.844 54.85778 35.06626 
1 1 1  -29   27    6 o   61.966   25.649   12.302   17.959   24.941   21.094 -20.9902   34.236   74.756   28.824   58.569   28.242 16.18730 40.35376 
1 1 1  -29   27    7 o  113.696   16.815   50.871   12.833   34.873   27.047   55.518   14.578   81.407   32.266  117.378   18.561 -35.97163 37.22421 
1 1 1  -29   27    8 o   77.077   22.476   26.631   12.728   27.502   27.709   26.398   14.330   73.871   31.299   75.460   24.213 -1.588837 39.57172 
1 1 1  -29   27    9 o   31.722   15.598 -19.4125   11.951   13.849   26.784 -27.6813   13.354   63.481   28.664   31.130   15.511 32.35083 32.59167 
1 1 1  -29   27   10 o   57.809   24.689   13.228   17.483 -21.1756   29.774   31.331   21.598   50.285   24.704   73.135   28.882 -22.85040 38.00613 
1 1 1  -29   27   11 o   49.936   20.940   8.9675   12.196 -32.6439   27.395   19.254   13.621   44.394   22.135   61.809   23.323 -17.41429 32.15487 
1 1 1  -29   27   12 o   91.583   21.171   40.778   13.151   18.112   27.902   47.252   14.912   58.275   27.340   96.669   22.679 -38.39471 35.52173 
1 1 1  -29   27   13 o   57.449   23.608   19.652   15.070   27.663   29.966   16.939   17.436   58.503   27.716   54.594   23.974 3.908665 36.64585 
1 1 1  -29   27   14 o   38.876   18.589  -2.4336   14.122 -27.8585   31.806   3.8099   15.761   42.275   21.415   43.249   20.371 -0.9739990 29.55649 
1 1 1  -29   29    1 o   77.376   27.087   25.584   17.899   34.405   32.117   21.610   21.557   86.252   34.828   73.966   28.965 12.28605 45.29870 
1 1 1  -29   29    2 o  156.766   17.053   93.839   18.204   81.463   30.093  100.982   22.861  129.457   33.373  158.673   21.360 -29.21541 39.62345 
1 1 1  -29   29    3 o  154.024   14.997   88.987   15.784  104.136   21.494   71.255   23.254  162.598   19.488  127.025   27.266 35.57273 33.51460 
1 1 1  -29   29    4 f  180.160   13.380  120.094   16.564   94.165   22.328  151.833   24.703  151.584   21.919  197.343   18.294 -45.75897 28.55029 
1 1 1  -29   29    5 o   35.691   17.700 -32.1880   16.585 -47.7024   26.384 -22.0529   21.325   44.107   21.948   45.770   22.125 -1.662968 31.16422 
1 1 1  -29   29    6 o   56.122   22.756   10.109   13.772   27.322   28.368   4.8007   15.754   76.125   31.929   53.085   23.059 23.04038 39.38511 
1 1 1  -29   29    7 o   58.073   22.228   13.105   12.483   10.234   28.045   13.815   13.940   64.431   29.190   59.613   23.307 4.817551 37.35349 
1 1 1  -29   29    8 o   27.336   13.816 -37.4672   12.714 -39.4049   27.738 -36.9518   14.305   45.686   22.696   30.079   15.135 15.60734 27.27976 
1 1 1  -29   29    9 o   35.858   17.117 -10.0927   11.873   1.3780   27.779 -12.6564   13.133   57.118   26.947   36.580   17.603 20.53768 32.18682 
1 1 1  -29   29   10 o   48.600   22.330   1.4419   17.177   19.498   28.973  -8.3450   21.331   63.235   29.034   47.376   22.704 15.85928 36.85739 
1 1 1  -29   29   11 o   46.594   20.150   6.3125   11.923 -10.5951   28.376   9.9375   13.139   49.870   24.421   50.846   21.549 -0.9754448 32.56922 
1 1 1  -29   29   12 o   63.262   23.028   22.319   13.066   30.688   28.769   20.144   14.666   62.264   28.714   59.573   23.713 2.691490 37.24005 
1 1 1  -29   29   13 o   49.556   21.880   11.798   14.708   48.112   29.914   0.2202   16.891   65.171   29.766   43.409   20.636 21.76175 36.21935 
1 1 1  -29   29   14 o   38.570   18.455  -1.4022   13.968   20.561   29.864  -7.5523   15.803   50.122   24.648   37.334   18.270 12.78807 30.68078 
1 1 1  -29   31    1 o   38.231   18.780 -28.0647   17.195 -26.9823   20.594 -30.5561   31.244   43.454   21.176   54.057   26.285 -10.60321 33.75406 
1 1 1  -29   31    2 o  132.086   20.325   70.248   17.985   75.659   29.293   66.974   22.785  122.150   33.599  121.797   27.660 0.3531113 43.51957 
1 1 1  -29   31    3 o   91.039   23.634   35.893   15.023   44.334   20.989   27.027   21.510   96.381   29.056   77.196   29.266 19.18446 41.24023 
1 1 1  -29   31    4 o  105.151   21.789   46.469   15.336   48.025   21.385   44.822   22.005   99.539   29.164   95.153   29.948 4.386368 41.80229 
1 1 1  -29   31    5 o   54.220   24.451   1.1772   19.418   25.376   26.499 -26.8878   28.537   74.477   31.018   51.252   24.966 23.22451 39.81764 
1 1 1  -29   31    6 o   34.843   16.834 -14.8531   12.305   2.2649   26.193 -19.7010   13.939   59.567   27.445   35.482   17.320 24.08539 32.45300 
1 1 1  -29   31    7 o   89.350   21.566   35.198   13.184   3.0122   28.578   43.900   14.860   60.197   28.054   99.612   22.130 -39.41435 35.73176 
1 1 1  -29   31    8 o   52.306   21.407   9.3961   12.327  -1.4288   26.738   12.318   13.891   55.903   26.393   56.387   22.857 -0.4834251 34.91478 
1 1 1  -29   31    9 o   36.121   17.397 -12.2189   12.892  -5.1073   28.353 -14.0723   14.474   54.008   25.959   37.622   18.196 16.38594 31.70165 
1 1 1  -29   31   10 o   39.344   18.185  -2.5935   11.634   3.1898   29.226  -3.6826   12.683   55.468   26.580   40.050   18.673 15.41775 32.48365 
1 1 1  -29   31   11 o   74.893   22.133   28.791   12.270   85.951   28.899   16.220   13.553  103.957   34.455   56.648   22.712 47.30854 41.26760 
1 1 1  -29   31   12 o   53.514   22.066   14.916   13.221   62.976   27.822   0.8976   15.026   79.986   32.374   43.349   20.249 36.63653 38.18549 
1 1 1  -29   31   13 o   43.346   20.177   4.1536   14.712   0.0000   0.0000   4.1536   14.712  ?   ?    43.346   20.177 0.000000 20.17673 
1 1 1  -29   33    1 o   59.569   25.002   10.120   17.413   11.776   29.087   9.1959   21.738   68.113   30.382   62.105   27.032 6.008007 40.66652 
1 1 1  -29   33    2 o   72.373   24.747   23.003   14.902   10.827   20.343   37.102   21.891   62.119   26.584   86.488   29.974 -24.36906 40.06411 
1 1 1  -29   33    3 o   81.620   24.371   29.914   14.819   28.712   20.056   31.358   21.992   77.728   28.494   79.991   29.745 -2.262657 41.19131 
1 1 1  -29   33    4 o   64.920   25.243   17.306   16.283   38.883   27.787   6.0205   20.095   84.131   32.902   57.734   25.529 26.39736 41.64428 
1 1 1  -29   33    5 o   92.374   21.698   37.057   13.636   4.5405   26.491   48.779   15.905   60.747   27.844  105.729   22.430 -44.98177 35.75505 
1 1 1  -29   33    6 o   43.548   19.676  -1.1932   12.644   61.854   26.493 -19.7893   14.388  103.123   32.905   35.908   17.543 67.21456 37.28979 
1 1 1  -29   33    7 o   45.963   20.183   2.7903   12.357  -4.5083   26.111   4.8968   14.027   54.490   25.831   49.619   21.653 4.871567 33.70632 
1 1 1  -29   33    8 o   37.469   17.670  -7.2102   11.925   3.5332   26.915  -9.8341   13.301   56.957   26.764   38.118   18.174 18.83946 32.35113 
1 1 1  -29   33    9 f   32.394   16.273 -35.6723   16.162 -53.5122   27.278 -26.0209   20.063   40.470   20.431   39.813   19.695 0.6571198 28.37758 
1 1 1  -29   33   10 o   44.358   19.588   4.0859   11.793   5.7756   27.790   3.7147   13.024   54.669   26.122   45.224   20.239 9.445244 33.04561 
1 1 1  -29   33   11 o   45.892   20.051   6.6845   12.062  -2.0283   26.844   8.8886   13.502   49.726   24.220   48.672   21.242 1.053219 32.21549 
1 1 1  -29   33   12 o   37.889   18.128  -5.2293   13.475   35.356   27.521 -18.0285   15.455   61.070   28.135   34.826   17.238 26.24363 32.99587 
1 1 1  -29   33   13 o   49.983   22.048   15.397   14.899   5.0244   28.408   19.333   17.499   46.778   23.192   52.160   23.394 -5.382294 32.94144 
1 1 1  -29   35    1 o  161.076   16.855  101.659   18.512   67.659   31.524  119.556   22.871  106.266   35.995  171.346   19.640 -65.08011 41.00438 
1 1 1  -29   35    2 o   50.418   22.043   3.4367   14.597 -17.8043   19.836   28.526   21.558   44.884   21.608   76.345   29.213 -31.46060 36.33607 
1 1 1  -29   35    3 o   34.920   16.817 -13.7987   12.046  -5.4780   24.519 -16.4460   13.830   54.777   25.677   36.746   17.776 18.03111 31.22966 
1 1 1  -29   35    4 o   66.453   23.389   19.597   13.355 -12.0098   24.433   33.063   15.948   51.544   24.591   83.378   25.370 -31.83403 35.33206 
1 1 1  -29   35    5 o   49.645   21.048   6.0515   12.543  -3.1405   26.174   8.7919   14.291   55.941   26.320   53.890   22.636 2.051216 34.71488 
1 1 1  -29   35    6 o   43.546   19.727  -0.8977   12.805 -18.7659   26.208   4.7051   14.676   49.493   24.067   50.097   21.997 -0.6041489 32.60528 
1 1 1  -29   35    7 o   42.156   19.172  -1.1216   12.243  -0.7298   27.886  -1.2151   13.626   55.961   26.577   43.904   20.067 12.05679 33.30190 
1 1 1  -29   35    8 o   34.720   16.866 -14.3752   12.782 -24.9659   26.586 -11.1913   14.577   46.282   22.853   38.853   18.659 7.428844 29.50310 
1 1 1  -29   35    9 o   64.872   22.270   21.218   12.071   28.829   27.639   19.424   13.418   65.647   29.424   61.622   23.171 4.024845 37.45213 
1 1 1  -29   35   10 f   45.122   19.597   5.9609   11.376 -10.6049   25.773   9.9694   12.678   47.303   23.188   49.795   21.139 -2.491520 31.37684 
1 1 1  -29   35   11 o   56.700   22.725   18.088   13.564   42.454   28.001   10.617   15.504   66.355   29.687   49.927   22.232 16.42801 37.08904 
1 1 1  -29   35   12 o   71.072   23.157   30.916   13.074   25.415   29.787   32.229   14.551   54.349   26.241   69.662   24.421 -15.31255 35.84639 
1 1 1  -29   37    1 o  170.348   16.574  114.526   19.293   78.439   34.457  131.007   23.285  108.544   37.606  178.759   19.117 -70.21476 42.18646 
1 1 1  -29   37    2 o   44.121   19.597   0.5687   11.970 -43.6829   25.714   12.811   13.525   43.102   21.483   57.873   22.855 -14.77102 31.36734 
1 1 1  -29   37    3 o   56.575   21.576   12.649   11.735  -3.9859   24.516   17.593   13.366   54.460   25.575   63.350   23.255 -8.890167 34.56717 
1 1 1  -29   37    4 o   42.834   19.664  -3.0940   13.281   10.951   25.993  -8.0564   15.451   62.024   28.101   42.808   20.165 19.21582 34.58757 
1 1 1  -29   37    5 o   74.423   22.351   25.725   12.438   9.7902   26.598   30.185   14.071   60.826   27.888   79.348   23.761 -18.52214 36.63759 
1 1 1  -29   37    6 o   49.628   20.941   7.3448   12.322  -0.7717   26.253   9.6381   13.955   54.951   26.007   53.101   22.339 1.850399 34.28408 
1 1 1  -29   37    7 o   55.880   22.063   13.564   12.600   22.580   27.758   11.224   14.141   64.845   29.240   53.953   22.581 10.89227 36.94371 
1 1 1  -29   37    8 o   68.698   25.684   26.630   16.441   34.283   26.116   21.606   21.160   69.865   30.015   62.499   26.936 7.365730 40.32907 
1 1 1  -29   37    9 o   39.335   18.185  -1.7097   11.645  -9.0049   26.927  -0.0314   12.915   48.835   23.888   42.025   19.329 6.809902 30.72865 
1 1 1  -29   37   10 o   31.560   15.501 -14.9858   11.695 -49.3171   27.201  -7.1999   12.954   39.046   19.782   37.024   17.730 2.022682 26.56424 
1 1 1  -29   37   11 o   49.779   21.126   12.406   12.657  -2.0215   28.041   16.098   14.184   47.623   23.507   53.190   22.457 -5.567314 32.51011 
1 1 1  -29   37   12 o   64.770   24.182   30.177   14.564   25.600   26.380   32.184   17.467   52.725   25.262   62.217   25.474 -9.492500 35.87656 
1 1 1  -29   39    1 o   76.293   23.559   27.424   13.691   0.0000   0.0000   27.424   13.691  ?   ?    76.293   23.559 0.000000 23.55930 
1 1 1  -29   39    2 o  104.244   20.748   47.283   14.443   0.0000   0.0000   47.283   14.443  ?   ?   104.244   20.748 0.000000 20.74784 
1 1 1  -29   39    3 o   66.040   24.491   20.672   14.889   0.0000   0.0000   20.672   14.889  ?   ?    66.040   24.491 0.000000 24.49126 
1 1 1  -29   39    4 o   34.955   16.809 -11.9076   11.921 -30.7951   27.247  -7.4361   13.258   46.433   22.966   39.578   18.655 6.855511 29.58768 
1 1 1  -29   39    5 o   45.935   19.902   4.3839   11.677   18.293   25.472   0.6836   13.138   63.395   28.343   44.505   20.088 18.89004 34.73940 
1 1 1  -29   39    6 o   59.634   22.214   16.671   12.276   66.049   27.668   4.5682   13.698   96.376   33.681   47.660   21.075 48.71614 39.73112 
1 1 1  -29   39    7 o   60.662   24.328   18.767   15.554 -15.3366   26.877   35.940   19.072   48.282   23.670   76.592   27.831 -28.31080 36.53484 
1 1 1  -29   39    8 o   38.134   17.932  -4.6200   12.118  -8.7707   25.816  -3.4469   13.724   48.500   23.652   40.874   19.176 7.626255 30.44852 
1 1 1  -29   39    9 o   62.872   22.097   21.205   11.917   53.024   25.657   12.452   13.457   78.337   31.306   51.905   21.892 26.43176 38.20086 
1 1 1  -29   39   10 o   46.260   20.815   7.1624   13.980  -5.6195   27.226   11.739   16.291   47.106   23.235   50.373   22.583 -3.266644 32.40195 
1 1 1  -29   39   11 o   41.587   19.149   3.7835   12.724 -17.4000   28.694   8.9689   14.197   43.000   21.611   45.958   20.800 -2.958504 29.99460 
1 1 1  -29   41    1 o  130.058   14.200   66.166   12.575   60.146   25.333   68.134   14.485   98.372   32.243  129.448   16.546 -31.07569 36.24078 
1 1 1  -29   41    2 o   50.037   20.789   8.0866   11.861  -4.2127   24.990   11.663   13.475   52.817   25.106   54.886   22.412 -2.068817 33.65459 
1 1 1  -29   41    3 f   73.352   24.290   27.090   14.363   0.0000   0.0000   27.090   14.363  ?   ?    73.352   24.290 0.000000 24.28997 
1 1 1  -29   41    4 f   34.869   16.931 -14.4847   12.846   0.0000   0.0000 -14.4847   12.846  ?   ?    34.869   16.931 0.000000 16.93145 
1 1 1  -29   41    5 o   54.032   22.250   11.987   13.420   0.0000   0.0000   11.987   13.420  ?   ?    54.032   22.250 0.000000 22.24960 
1 1 1  -29   41    6 o   41.404   18.856  -0.0798   11.896 -11.1805   28.213   2.3207   13.120   50.115   24.501   44.620   20.113 5.495346 31.69889 
1 1 1  -29   41    7 o   47.624   21.646   4.4747   15.579   48.234   26.794 -17.8729   19.148   76.577   31.475   40.427   19.851 36.15076 37.21240 
1 1 1  -29   41    8 o   46.200   21.968  -1.0342   19.164  -4.0063   25.326   2.9478   29.315   48.589   23.635   52.294   25.435 -3.705296 34.72134 
1 1 1  -29   41    9 o   72.969   22.415   29.411   12.411  -4.2566   23.592   42.293   14.594   46.272   22.575   87.014   23.625 -40.74148 32.67690 
1 1 1  -29   41   10 o   40.359   18.796   1.2536   12.791   1.9024   29.879   1.1080   14.154   48.143   23.854   41.352   19.424 6.790894 30.76159 
1 1 1  -29   43    1 o   31.606   15.528 -17.6535   11.764 -42.5902   23.715  -9.5146   13.548   39.593   19.866   38.289   18.280 1.304157 26.99651 
1 1 1  -29   43    2 o  120.807   16.170   60.020   13.181   33.259   26.351   68.950   15.222   70.974   30.311  127.642   17.707 -56.66840 35.10425 
1 1 1  -29   43    3 o   59.945   21.564   16.997   11.411   79.415   28.047   4.6167   12.491  107.385   33.813   46.303   20.313 61.08111 39.44566 
1 1 1  -29   43    4 o   50.876   20.944   10.061   11.886 -17.9219   30.798   14.959   12.885   50.026   24.682   56.715   22.336 -6.689095 33.28861 
1 1 1  -29   43    5 o   48.057   20.842   7.0798   12.831   0.0000   0.0000   7.0798   12.831  ?   ?    48.057   20.842 0.000000 20.84232 
1 1 1  -29   43    6 o   89.541   27.514   48.622   18.699   0.0000   0.0000   48.622   18.699  ?   ?    89.541   27.514 0.000000 27.51418 
1 1 1  -29   43    7 o   43.002   19.736   1.5715   13.366   0.0000   0.0000   1.5715   13.366  ?   ?    43.002   19.736 0.000000 19.73583 
1 1 1  -29   43    8 o   56.540   21.743   17.393   11.980  -7.1610   26.298   23.823   13.457   46.794   23.034   63.484   23.330 -16.68946 32.78494 
1 1 1  -29   43    9 o   40.381   19.093  -0.8961   14.090 -21.5707   26.304   7.4239   16.686   41.908   21.013   46.673   21.645 -4.765343 30.16667 
1 1 1  -29   43   10 o   45.843   20.234   10.424   12.569   38.210   25.955   1.9110   14.366   57.936   26.912   40.793   19.285 17.14331 33.10849 
1 1 1  -29   45    1 o   56.788   21.696   15.208   11.879   31.839   25.559   10.626   13.416   68.182   29.493   51.989   21.890 16.19213 36.72905 
1 1 1  -29   45    2 o  106.160   19.010   50.180   13.455   19.566   27.767   59.574   15.381   60.930   28.138  114.248   20.191 -53.31801 34.63229 
1 1 1  -29   45    3 o   41.907   18.885   1.4165   11.559   13.322   28.056  -1.0178   12.686   57.775   27.203   41.427   19.092 16.34803 33.23435 
1 1 1  -29   45    4 o   61.184   21.958   19.092   11.825   4.0244   26.978   22.675   13.156   53.271   25.530   65.076   23.181 -11.80481 34.48407 
1 1 1  -29   45    5 o   48.670   20.467   9.3254   11.705   10.556   28.231   9.0699   12.863   55.132   26.340   48.993   21.057 6.139656 33.72199 
1 1 1  -29   45    6 o   49.136   22.831   6.0931   18.701   0.0000   0.0000   6.0931   18.701  ?   ?    49.136   22.831 0.000000 22.83063 
1 1 1  -29   45    7 o   39.210   18.598  -3.6416   13.569   0.0000   0.0000  -3.6416   13.569  ?   ?    39.210   18.598 0.000000 18.59753 
1 1 1  -29   45    8 o   29.800   14.969 -26.4201   13.659   0.0000   0.0000 -26.4201   13.659  ?   ?    29.800   14.969 0.000000 14.96883 
1 1 1  -29   45    9 o   32.765   16.299 -17.8836   14.506   0.0000   0.0000 -17.8836   14.506  ?   ?    32.765   16.299 0.000000 16.29946 
1 1 1  -29   47    1 o   32.286   15.844 -15.8141   12.136 -34.9073   25.056  -9.9622   13.872   40.918   20.515   37.400   18.021 3.517708 27.30608 
1 1 1  -29   47    2 o   40.732   18.475   1.0006   11.272   29.649   26.880  -5.1125   12.417   63.684   28.740   37.996   17.953 25.68821 33.88627 
1 1 1  -29   47    3 o   36.585   17.260  -4.9121   11.397   18.746   25.828 -10.6324   12.700   57.875   26.871   35.305   17.068 22.57011 31.83325 
1 1 1  -29   47    4 o   42.708   19.116   3.4852   11.623   1.2424   26.021   4.0442   12.991   50.375   24.373   44.364   20.004 6.011135 31.53105 
1 1 1  -29   47    5 o   56.424   23.344   17.949   14.866   6.8244   26.086   23.300   18.091   51.492   24.786   60.056   25.359 -8.563766 35.46052 
1 1 1  -29   47    6 o   36.451   17.337  -4.8703   11.950  -8.9366   25.389  -3.7133   13.543   45.344   22.379   38.921   18.496 6.422512 29.03308 
1 1 1  -29   47    7 o   32.526   15.932 -12.1760   12.102  -3.2317   24.956 -14.9263   13.838   45.535   22.419   33.642   16.589 11.89267 27.88880 
1 1 1  -29   47    8 o   34.846   17.321 -16.8834   16.254   0.0000   0.0000 -16.8834   16.254  ?   ?    34.846   17.321 0.000000 17.32137 
1 1 1  -29   49    1 o   79.367   22.410   33.532   12.850   65.512   25.233   22.333   14.932   88.695   32.045   61.200   24.064 27.49521 40.07417 
1 1 1  -29   49    2 o   92.546   19.076   40.298   11.812   38.766   24.698   40.752   13.451   67.406   29.075   88.776   22.002 -21.37006 36.46194 
1 1 1  -29   49    3 o   40.973   18.718   1.7096   11.837  -2.8580   24.957   3.0353   13.445   47.571   23.211   43.371   19.864 4.200008 30.55030 
1 1 1  -29   49    4 o   45.600   19.735   7.9094   11.455  -3.7229   22.846   11.816   13.239   45.752   22.298   49.875   21.397 -4.123672 30.90364 
1 1 1  -29   49    5 o   32.688   15.932 -10.8981   11.670   8.3659   23.441 -17.2463   13.457   49.429   23.718   32.525   16.096 16.90406 28.66407 
1 1 1  -29   49    6 o   40.671   18.667   3.0679   11.959   6.4293   25.092   2.0799   13.603   47.865   23.337   41.252   19.269 6.612709 30.26340 
1 1 1  -29   51    1 o   35.823   17.279  -7.7333   12.836  -6.4341   23.571  -8.2809   15.304   44.745   21.982   38.262   18.557 6.482224 28.76722 
1 1 1  -29   51    2 o   55.013   21.223   16.851   11.441   33.420   23.532   11.722   13.092   61.533   27.395   49.101   21.174 12.43222 34.62452 
1 1 1  -29   51    3 o   67.046   21.372   25.187   11.178   39.415   24.669   21.511   12.539   63.460   28.162   59.607   22.402 3.852161 35.98524 
1 1 1  -29   51    4 o   41.814   19.609   2.1237   14.327 -36.2390   24.054   23.217   17.836   37.216   18.827   56.333   24.503 -19.11791 30.90061 
1 1 1  -29   51    5 o   36.447   17.261  -2.0828   11.603   23.551   24.655  -9.3749   13.150   52.836   25.063   34.447   16.817 18.38818 30.18181 
1 1 1  -29   53    1 o   44.633   19.583   8.7361   11.612   19.751   22.608   4.7890   13.533   51.879   24.425   42.465   19.622 9.413437 31.33049 
1 1 1  -29   53    2 o   40.067   18.845   1.3451   13.398 -13.5902   24.320   7.8531   16.054   41.295   20.631   45.215   21.057 -3.919769 29.47945 
1 1 1  -28    0    1 o   58.714   32.834   16.243   19.979   16.243   19.979   16.243   19.979   58.714   32.834   58.714   32.834 0.000000 0.000000 
1 1 1  -28    0    2 o   36.510   24.989 -12.9979   20.019 -12.9979   20.019 -12.9979   20.019   36.510   24.989   36.510   24.989 0.000000 0.000000 
1 1 1  -28    0    3 o  175.190   18.396  109.972   21.743  109.972   21.743  109.972   21.743  175.190   18.396  175.190   18.396 0.000000 0.000000 
1 1 1  -28    0    4 o   55.932   32.521   13.266   20.711   13.266   20.711   13.266   20.711   55.932   32.521   55.932   32.521 0.000000 0.000000 
1 1 1  -28    0    5 o  134.577   26.835   70.044   22.188   70.044   22.188   70.044   22.188  134.577   26.835  134.577   26.835 0.000000 0.000000 
1 1 1  -28    0    6 o   46.486   30.065  -0.4594   22.717  -0.4594   22.717  -0.4594   22.717   46.486   30.065   46.486   30.065 0.000000 0.000000 
1 1 1  -28    0    7 o   40.408   27.464 -12.4493   23.292 -12.4493   23.292 -12.4493   23.292   40.408   27.464   40.408   27.464 0.000000 0.000000 
1 1 1  -28    0    8 o  143.256   37.774   86.000   32.358   86.000   32.358   86.000   32.358  143.256   37.774  143.256   37.774 0.000000 0.000000 
1 1 1  -28    0    9 o   29.153   21.162 -48.5185   23.587 -48.5185   23.587 -48.5185   23.587   29.153   21.162   29.153   21.162 0.000000 0.000000 
1 1 1  -28    0   10 o   75.037   41.914   29.337   32.514   29.337   32.514   29.337   32.514   75.037   41.914   75.037   41.914 0.000000 0.000000 
1 1 1  -28    0   11 o   68.476   37.448   25.112   25.341   25.112   25.341   25.112   25.341   68.476   37.448   68.476   37.448 0.000000 0.000000 
1 1 1  -28    0   12 f   66.688   37.053   24.217   25.258   24.217   25.258   24.217   25.258   66.688   37.053   66.688   37.053 0.000000 0.000000 
1 1 1  -28    0   13 o   40.958   28.024 -12.0984   25.132 -12.0984   25.132 -12.0984   25.132   40.958   28.024   40.958   28.024 0.000000 0.000000 
1 1 1  -28    0   14 o   47.849   31.290   2.5719   25.577   2.5719   25.577   2.5719   25.577   47.849   31.290   47.849   31.290 0.000000 0.000000 
1 1 1  -28    0   15 o   48.014   31.451   4.6129   26.001   4.6129   26.001   4.6129   26.001   48.014   31.451   48.014   31.451 0.000000 0.000000 
1 1 1  -28    0   16 o   41.416   26.007   7.1438   15.554   7.1438   15.554   7.1438   15.554   41.416   26.007   41.416   26.007 0.000000 0.000000 
1 1 1  -28    0   17 o   64.270   38.806   39.141   31.583   39.141   31.583   39.141   31.583   64.270   38.806   64.270   38.806 0.000000 0.000000 
1 1 1  -28    2    1 o  131.244   15.713   61.567   13.989   72.620   19.777   50.499   19.791  141.120   20.879  115.874   25.380 25.24640 32.86438 
1 1 1  -28    2    2 o   90.422   22.763   30.576   14.236   52.222   19.642   6.6222   20.662  117.968   24.842   66.831   27.575 51.13638 37.11451 
1 1 1  -28    2    3 o  217.568   10.521  165.335   15.843  168.828   22.250  161.742   22.563  218.395   14.808  213.559   15.368 4.835922 21.34106 
1 1 1  -28    2    4 o  174.773   13.302  107.997   15.970  128.112   22.308   86.855   22.871  189.148   17.230  153.673   22.143 35.47458 28.05654 
1 1 1  -28    2    5 o  143.299   16.553   73.917   16.115   82.075   22.945   65.977   22.638  148.581   23.060  131.813   25.737 16.76738 34.55698 
1 1 1  -28    2    6 o  103.992   22.471   40.989   15.701   32.874   22.185   49.131   22.223   92.756   30.162  111.791   28.605 -19.03468 41.56937 
1 1 1  -28    2    7 o  158.811   15.777   91.212   17.112   89.144   23.989   93.354   24.417  153.221   23.360  156.962   23.173 -3.740784 32.90392 
1 1 1  -28    2    8 o   99.847   27.070   40.434   19.177   59.707   32.655   30.288   23.693  115.887   36.484   87.831   31.127 28.05561 47.95815 
1 1 1  -28    2    9 o  189.414   15.634  131.689   20.312  115.198   25.668  159.317   33.223  172.393   22.015  200.680   24.423 -28.28751 32.88128 
1 1 1  -28    2   10 o   53.840   23.814   0.0332   17.499 -27.9893   24.547   28.991   24.953   49.190   23.768   83.115   31.519 -33.92559 39.47570 
1 1 1  -28    2   11 o   59.249   24.912   8.4399   17.337   40.294   23.916 -26.8380   25.169   91.739   31.351   49.424   23.927 42.31541 39.43827 
1 1 1  -28    2   12 o   77.550   28.603   28.077   20.254   7.8640   24.147   76.049   37.200   62.797   27.865  109.997   39.001 -47.19961 47.93287 
1 1 1  -28    2   13 o   66.612   27.482   18.887   20.521   43.044   40.682   10.643   23.766   81.630   36.198   62.137   27.605 19.49311 45.52257 
1 1 1  -28    2   14 o   49.606   23.913 -13.0024   24.497   0.0000   0.0000 -13.0024   24.497  ?   ?    49.606   23.913 0.000000 23.91263 
1 1 1  -28    2   15 o   46.875   22.380  -6.5317   20.311   28.054   34.761 -24.4616   25.029   66.080   30.844   44.792   22.128 21.28732 37.96052 
1 1 1  -28    2   16 o   64.059   23.994   23.360   14.360 -14.2439   28.347   36.342   16.656   47.582   23.514   77.150   26.164 -29.56792 35.17747 
1 1 1  -28    2   17 o   34.144   16.894 -16.9146   14.789 -22.5078   16.480   6.2195   33.516   34.256   17.094   50.223   24.949 -15.96644 30.24382 
1 1 1  -28    4    1 o  301.878   7.9870  316.951   16.687  293.782   23.520  340.438   23.680  289.796   11.726  312.172   10.960 -22.37628 16.05090 
1 1 1  -28    4    2 o  209.658   10.761  153.934   15.563  158.230   21.459  149.168   22.604  211.484   14.753  204.892   16.068 6.591522 21.81400 
1 1 1  -28    4    3 o  187.977   12.230  124.341   15.825  133.859   21.897  113.935   22.897  193.792   16.482  177.857   18.890 15.93552 25.06958 
1 1 1  -28    4    4 o  137.546   16.963   68.132   15.806  109.263   22.091   24.990   22.625  174.029   18.630   85.476   30.404 88.55329 35.65835 
1 1 1  -28    4    5 o   83.265   25.193   25.957   15.759   38.175   21.756   12.472   22.857   99.443   29.492   73.548   29.493 25.89457 41.70843 
1 1 1  -28    4    6 o   79.715   25.480   23.639   15.880  -2.9430   21.984   52.638   22.962   60.596   26.752  115.567   28.809 -54.97167 39.31485 
1 1 1  -28    4    7 o  229.068   11.341  185.030   17.980  201.017   26.042  170.468   24.854  236.095   16.032  216.976   16.678 19.11893 23.13406 
1 1 1  -28    4    8 o   62.285   26.292   5.8448   19.435   66.293   36.420 -18.2245   22.981  120.298   38.601   52.466   24.678 67.83188 45.81549 
1 1 1  -28    4    9 o   70.212   27.247   16.392   18.943   31.380   24.498  -5.8976   29.874   87.151   31.561   65.107   29.740 22.04370 43.36566 
1 1 1  -28    4   10 o   42.131   20.203 -18.9037   16.947 -29.5546   23.613  -7.5901   24.336   47.436   23.016   57.404   26.450 -9.967632 35.06215 
1 1 1  -28    4   11 o   72.717   27.989   21.408   19.863   50.585   30.800   0.6338   25.989   98.201   35.415   61.838   28.049 36.36379 45.17770 
1 1 1  -28    4   12 o   66.025   27.024   16.211   19.647   7.2964   24.012   34.268   34.174   62.270   27.702   81.792   34.713 -19.52155 44.41169 
1 1 1  -28    4   13 o   95.445   29.599   47.767   21.584   99.902   41.077   27.882   25.369  116.029   41.000   74.094   30.561 41.93535 51.13706 
1 1 1  -28    4   14 o   70.007   26.674   25.329   17.925   12.516   27.202   35.163   23.831   61.919   28.321   76.728   30.327 -14.80903 41.49396 
1 1 1  -28    4   15 o   40.546   19.073  -5.3413   13.733   25.551   34.978 -10.9711   14.932   64.976   30.525   39.164   18.828 25.81125 35.86443 
1 1 1  -28    4   16 o   46.022   21.684   0.0032   17.880 -29.4732   28.237   19.735   23.103   43.956   22.001   58.339   26.456 -14.38242 34.40854 
1 1 1  -28    4   17 o   41.469   19.089   2.8807   12.633  -1.9727   16.899   9.0284   19.019   41.934   20.126   48.189   22.597 -6.255028 30.25974 
1 1 1  -28    6    1 o  173.682   12.138  106.126   14.499  107.668   20.277  104.513   20.741  173.573   17.101  170.759   17.812 2.813919 24.69217 
1 1 1  -28    6    2 o  304.156   8.2964  321.966   17.465  312.677   24.137  332.173   25.302  298.909   11.667  308.027   11.868 -9.117950 16.64271 
1 1 1  -28    6    3 o   57.776   23.596   5.3629   14.938 -17.9160   20.542   31.486   21.761   50.563   23.638   92.305   29.861 -41.74253 38.08458 
1 1 1  -28    6    4 o  186.310   12.574  122.442   16.119  138.740   22.402  104.945   23.212  197.043   16.581  169.874   20.134 27.16907 26.08277 
1 1 1  -28    6    5 o  141.586   16.787   72.342   16.130   81.673   22.693   62.814   22.932  148.139   22.870  127.946   26.756 20.19282 35.19823 
1 1 1  -28    6    6 o   66.697   25.302   13.067   16.085   31.784   22.871  -5.2513   22.626   91.487   30.661   59.932   26.759 31.55436 40.69585 
1 1 1  -28    6    7 o   77.514   27.463   21.622   18.442   30.034   32.350   17.571   22.447   92.217   35.656   76.064   29.620 16.15348 46.35430 
1 1 1  -28    6    8 o   66.717   25.724   13.717   16.802   35.854   25.123  -4.1960   22.599   93.357   32.124   59.116   26.544 34.24078 41.67205 
1 1 1  -28    6    9 o   92.744   27.092   35.999   18.479   47.278   23.960   19.439   29.032  103.800   30.988   78.865   32.625 24.93509 44.99578 
1 1 1  -28    6   10 o   52.486   23.499  -1.8735   17.575 -18.8399   24.302   16.731   25.448   52.209   24.800   73.052   30.409 -20.84350 39.23935 
1 1 1  -28    6   11 o   51.808   23.820  -5.6468   19.592   12.222   23.220 -49.8049   36.502   66.620   28.453   54.106   26.728 12.51413 39.03759 
1 1 1  -28    6   12 o   55.607   24.247   5.3982   17.559   13.970   24.327  -3.9242   25.370   66.507   28.772   57.288   26.609 9.219471 39.18998 
1 1 1  -28    6   13 o   88.455   26.917   38.677   17.952   9.6442   26.749   62.468   24.215   62.836   28.484  108.201   30.837 -45.36533 41.97968 
1 1 1  -28    6   14 o   57.975   23.670   13.784   15.026   0.0000   0.0000   13.784   15.026  ?   ?    57.975   23.670 0.000000 23.66958 
1 1 1  -28    6   15 o   40.510   19.141  -6.1660   14.119   12.561   32.890 -10.3963   15.632   59.943   28.580   40.248   19.327 19.69514 34.50180 
1 1 1  -28    6   16 o   60.803   25.479   22.491   18.036   47.390   30.449   9.0337   22.386   70.308   31.240   52.542   24.599 17.76608 39.76220 
1 1 1  -28    8    1 o  175.182   12.494  108.099   15.049   98.596   20.733  118.679   21.877  165.550   18.407  182.088   17.578 -16.53822 25.45162 
1 1 1  -28    8    2 o  134.703   15.755   64.930   14.411   72.941   19.919   56.131   20.876  141.185   21.026  121.995   25.543 19.18964 33.08408 
1 1 1  -28    8    3 o  123.132   18.530   55.167   15.302   50.239   20.882   60.881   22.487  114.739   26.783  126.635   26.508 -11.89540 37.68259 
1 1 1  -28    8    4 o  152.409   15.127   82.926   15.746   77.934   21.630   88.555   22.966  145.182   22.234  155.022   22.024 -9.839798 31.29555 
1 1 1  -28    8    5 o  232.871   10.717  190.035   17.273  186.661   24.428  193.410   24.429  228.750   15.521  232.993   15.233 -4.243408 21.74724 
1 1 1  -28    8    6 o   62.677   24.774   9.6255   15.904   16.905   23.208   3.1806   21.838   76.816   30.061   64.378   27.547 12.43798 40.77369 
1 1 1  -28    8    7 o   82.009   30.395   23.814   22.925   0.0000   0.0000   23.814   22.925  ?   ?    82.009   30.395 0.000000 30.39452 
1 1 1  -28    8    8 o  142.377   17.438   75.199   16.824   72.603   24.635   77.468   23.032  133.576   27.561  140.143   24.645 -6.567108 36.97289 
1 1 1  -28    8    9 o   71.829   26.988   18.707   18.196   13.480   22.418   28.800   31.154   69.865   28.762   86.133   34.470 -16.26775 44.89322 
1 1 1  -28    8   10 o   72.586   26.528   20.848   17.365   18.824   23.379   23.338   25.935   73.288   29.672   78.035   31.372 -4.746529 43.18155 
1 1 1  -28    8   11 o   87.692   28.169   35.308   19.390   64.104   24.052 -18.1463   32.770  117.403   29.606   59.403   28.379 57.99980 41.01108 
1 1 1  -28    8   12 o   65.566   26.092   16.969   17.751  -9.4220   25.142   43.201   25.066   54.481   25.682   90.253   32.013 -35.77264 41.04175 
1 1 1  -28    8   13 o   82.669   27.451   34.600   18.341   69.194   26.899   4.5453   25.072  110.542   32.796   59.068   27.080 51.47401 42.53099 
1 1 1  -28    8   14 o   55.677   23.488   11.312   15.496   0.0000   0.0000   11.312   15.496  ?   ?    55.677   23.488 0.000000 23.48816 
1 1 1  -28    8   15 o   53.858   22.573   12.003   14.161  -8.0098   30.211   17.639   16.032   52.339   25.537   59.594   24.404 -7.255363 35.32268 
1 1 1  -28    8   16 o   46.530   20.727   6.2670   13.490 -15.4195   30.858   11.391   14.999   48.018   23.868   51.378   22.406 -3.360325 32.73758 
1 1 1  -28   10    1 o  372.119   7.2881  481.386   18.770  463.550   26.010  500.771   27.116  364.329   10.315  378.663   10.347 -14.33398 14.60982 
1 1 1  -28   10    2 o  259.579   9.1402  234.907   16.421  234.263   22.614  235.625   23.884  258.354   12.647  258.556   13.392 -0.2023010 18.42020 
1 1 1  -28   10    3 f  199.049   11.751  139.349   16.118  117.553   21.508  167.263   24.341  181.000   17.383  216.580   16.359 -35.57921 23.87014 
1 1 1  -28   10    4 o   79.079   25.054   22.974   15.380   30.734   21.306   14.532   22.224   90.740   29.561   74.748   29.368 15.99124 41.66942 
1 1 1  -28   10    5 o   48.881   21.899  -5.2384   15.290  -2.2547   21.183  -8.4838   22.092   60.074   26.401   57.478   25.986 2.596416 37.04453 
1 1 1  -28   10    6 o  110.509   22.059   46.394   16.280   54.267   23.018   38.514   23.030  116.710   28.697   98.428   30.582 18.28223 41.93803 
1 1 1  -28   10    7 o  132.182   25.580   68.657   22.556   65.512   32.017   71.756   31.783  122.791   35.601  129.095   34.787 -6.303993 49.77497 
1 1 1  -28   10    8 o   74.332   25.550   21.046   15.890   37.900   22.007   2.6877   22.968   95.021   29.955   63.465   27.701 31.55651 40.80008 
1 1 1  -28   10    9 o  100.567   26.541   42.528   18.743   33.227   23.202   60.000   31.800   88.077   30.840  111.861   36.088 -23.78396 47.47060 
1 1 1  -28   10   10 o   59.210   25.506   5.6121   18.954   9.3347   23.271  -1.7254   32.672   65.800   28.303   67.116   30.822 -1.316078 41.84575 
1 1 1  -28   10   11 o   81.542   27.918   30.259   18.966   57.211   23.789 -16.7512   31.419  109.344   30.357   58.513   27.908 50.83195 41.23616 
1 1 1  -28   10   12 o   88.833   29.442   39.652   21.101   53.181   25.896   12.922   36.400   99.095   32.605   70.544   32.447 28.55066 45.99908 
1 1 1  -28   10   13 o   93.672   20.950   38.125   13.242   64.585   32.623   32.905   14.490   97.408   36.227   84.056   23.819 13.35190 43.35569 
1 1 1  -28   10   14 o   57.722   23.774   13.823   15.326   0.0000   0.0000   13.823   15.326  ?   ?    57.722   23.774 0.000000 23.77444 
1 1 1  -28   10   15 o   43.277   20.884 -10.8122   18.809 -13.9902   31.122  -8.9836   23.608   50.914   25.061   47.934   23.198 2.980194 34.14938 
1 1 1  -28   10   16 o   55.971   22.769   16.738   13.841  -3.6820   31.176   21.751   15.447   50.555   24.923   60.570   24.260 -10.01492 34.78080 
1 1 1  -28   12    1 o  233.238   9.9552  189.946   16.070  167.330   21.827  216.718   23.748  217.344   14.595  247.718   13.908 -30.37357 20.16029 
1 1 1  -28   12    2 o  228.985   10.267  183.236   16.271  179.429   22.329  187.546   23.759  225.102   14.407  229.934   15.012 -4.832626 20.80707 
1 1 1  -28   12    3 o  149.495   15.201   79.858   15.509   62.422   21.191   99.970   22.760  128.650   24.698  165.553   20.288 -36.90268 31.96210 
1 1 1  -28   12    4 o  168.016   14.039  100.420   16.175   76.436   22.314  126.980   23.482  142.926   23.365  187.376   18.342 -44.45001 29.70421 
1 1 1  -28   12    5 o  142.832   16.887   73.973   16.371   96.647   23.379   52.160   22.931  161.438   21.456  114.901   28.871 46.53699 35.97069 
1 1 1  -28   12    6 o  165.396   17.487   99.828   19.715   99.659   35.199   99.905   23.798  155.181   33.735  163.333   21.580 -8.152039 40.04688 
1 1 1  -28   12    7 o   93.868   25.222   35.110   16.736   25.045   23.430   45.594   23.914   82.732   30.715  104.480   30.905 -21.74758 43.57229 
1 1 1  -28   12    8 o  184.352   13.228  122.579   16.765  121.152   23.034  124.186   24.448  179.656   18.804  181.142   19.825 -1.486053 27.32378 
1 1 1  -28   12    9 o  123.614   23.033   61.303   18.981   50.309   23.225   83.415   32.937  106.531   30.145  132.833   35.244 -26.30178 46.37756 
1 1 1  -28   12   10 o   46.453   22.699 -33.1506   24.124 -33.1506   24.124   0.0000   0.0000   46.453   22.699  ?   ?  0.000000 22.69900 
1 1 1  -28   12   11 o   62.655   24.872   13.888   16.094   59.516   25.347 -16.9307   20.831  109.508   31.655   47.429   22.650 62.07878 38.92368 
1 1 1  -28   12   12 o   87.339   26.276   36.029   17.179   31.126   23.984   41.194   24.616   78.489   30.603   87.515   31.646 -9.026237 44.02267 
1 1 1  -28   12   13 o   54.870   22.249   10.741   13.166 -14.5902   33.493   15.371   14.319   56.486   27.408   60.531   23.633 -4.044437 36.19020 
1 1 1  -28   12   14 o   37.216   17.923 -12.5247   13.679  -8.0146   31.650 -13.5607   15.169   54.973   26.667   38.863   18.755 16.10994 32.60135 
1 1 1  -28   12   15 o   47.690   21.539   4.3069   15.132   0.0000   0.0000   4.3069   15.132  ?   ?    47.690   21.539 0.000000 21.53853 
1 1 1  -28   12   16 o   39.297   18.617  -4.0065   13.520  -4.6000   30.366  -3.8597   15.099   49.606   24.481   41.001   19.497 8.604950 31.29664 
1 1 1  -28   14    1 o  257.409   9.5588  231.311   17.030  218.466   23.066  246.702   25.249  248.757   13.447  264.229   13.855 -15.47156 19.30754 
1 1 1  -28   14    2 o  189.762   12.276  126.978   16.036  126.392   21.872  127.660   23.582  187.729   17.019  188.150   18.343 -0.4205933 25.02180 
1 1 1  -28   14    3 o  231.740   10.492  188.005   16.828  159.941   23.177  219.289   24.471  211.611   15.942  248.684   14.278 -37.07211 21.40104 
1 1 1  -28   14    4 o   63.514   24.672   10.563   15.544   10.165   21.340   11.012   22.688   69.634   28.294   71.759   29.167 -2.125069 40.63559 
1 1 1  -28   14    5 o   66.969   25.104   13.779   15.727   10.499   22.122   17.130   22.362   70.251   28.705   76.210   29.595 -5.959213 41.22961 
1 1 1  -28   14    6 o   61.616   26.909   0.4208   21.702 -13.3366   31.159   13.380   30.242   65.166   29.991   78.786   33.002 -13.61948 44.59363 
1 1 1  -28   14    7 o  118.350   20.062   53.246   15.846   25.492   21.767   84.538   23.113   82.048   29.745  147.596   23.407 -65.54745 37.85018 
1 1 1  -28   14    8 f   50.742   22.526  -1.8735   15.798   9.6904   22.073 -14.0172   22.620   66.936   28.124   53.171   24.840 13.76491 37.52318 
1 1 1  -28   14    9 o   57.748   25.173   3.0084   18.913   15.866   23.694 -19.5658   31.396   71.678   29.546   59.703   28.309 11.97451 40.91941 
1 1 1  -28   14   10 o   70.284   29.758   15.127   25.018   15.127   25.018   0.0000   0.0000   70.284   29.758  ?   ?  0.000000 29.75787 
1 1 1  -28   14   11 o   37.608   18.445 -25.6666   16.379 -12.6327   24.540 -36.1381   21.996   53.180   25.161   42.047   20.767 11.13317 32.62422 
1 1 1  -28   14   12 o   48.500   20.847   4.0947   12.611 -21.6098   28.209   10.515   14.098   52.022   25.222   56.316   22.952 -4.293358 34.10177 
1 1 1  -28   14   13 o   73.041   31.982   30.078   30.833   30.078   30.833   0.0000   0.0000   73.041   31.982  ?   ?  0.000000 31.98196 
1 1 1  -28   14   14 o   60.905   25.669   17.287   18.478   60.683   30.512  -7.8453   23.221   88.614   34.527   49.389   23.674 39.22524 41.86324 
1 1 1  -28   14   15 f   46.705   21.161   3.7280   14.741   0.0000   0.0000   3.7280   14.741  ?   ?    46.705   21.161 0.000000 21.16115 
1 1 1  -28   14   16 o   48.912   21.441   10.036   13.892   22.600   32.155   7.1522   15.403   56.818   27.391   47.391   21.534 9.427040 34.84242 
1 1 1  -28   16    1 o   90.583   24.267   31.169   15.520   17.920   21.324   46.095   22.633   77.064   29.158  108.724   29.380 -31.66090 41.39250 
1 1 1  -28   16    2 o  153.832   15.158   84.654   15.929   64.584   21.882  107.272   23.231  130.423   25.153  171.439   19.952 -41.01604 32.10541 
1 1 1  -28   16    3 o  109.528   21.227   44.928   15.511   48.569   21.493   40.972   22.406  111.545   27.909  102.260   29.820 9.284866 40.84309 
1 1 1  -28   16    4 o  382.052   7.7090  508.928   20.384  489.325   28.473  529.538   29.196  373.164   11.025  388.280   10.864 -15.11597 15.47813 
1 1 1  -28   16    5 o  104.707   29.550   44.176   22.349   44.176   22.349   0.0000   0.0000  104.707   29.550  ?   ?  0.000000 29.54996 
1 1 1  -28   16    6 o  103.349   24.941   42.303   17.636   48.829   28.601   38.300   22.401  107.065   34.192   96.768   30.178 10.29643 45.60482 
1 1 1  -28   16    7 o   66.356   24.643   14.933   15.085   24.733   20.921   4.3215   21.771   80.430   29.160   63.289   27.299 17.14113 39.94452 
1 1 1  -28   16    8 o   47.426   21.481  -4.9054   15.177   6.4465   21.456 -16.2729   21.470   63.573   27.256   50.371   23.741 13.20254 36.14596 
1 1 1  -28   16    9 o   58.459   24.662   6.8283   17.084   0.9985   22.948   14.078   25.589   60.432   26.968   71.098   30.099 -10.66613 40.41294 
1 1 1  -28   16   10 o   84.474   27.726   32.165   18.730   38.190   23.788   22.337   30.381   89.311   31.229   76.874   32.681 12.43711 45.20324 
1 1 1  -28   16   11 o   56.598   21.993   11.198   12.355   16.044   29.356   10.155   13.619   70.332   30.990   56.403   22.713 13.92920 38.42201 
1 1 1  -28   16   12 o   53.833   21.568   9.8031   12.212   6.4927   29.349   10.496   13.430   63.084   29.060   55.527   22.487 7.556755 36.74413 
1 1 1  -28   16   13 o   31.527   15.624 -23.7546   12.839 -20.3317   29.853 -24.5313   14.221   51.660   25.245   33.516   16.580 18.14460 30.20273 
1 1 1  -28   16   14 o   59.987   23.689   17.131   14.529   37.424   31.934   11.833   16.316   71.684   31.914   55.347   23.750 16.33632 39.78127 
1 1 1  -28   16   15 o   60.690   24.385   20.229   15.659   0.0000   0.0000   20.229   15.659  ?   ?    60.690   24.385 0.000000 24.38470 
1 1 1  -28   16   16 o   53.637   22.635   15.922   14.399   8.5220   33.053   17.656   15.997   52.147   25.699   54.881   23.532 -2.733807 34.84521 
1 1 1  -28   18    1 o   68.986   25.955   14.244   16.841   9.7367   20.411   23.859   29.809   68.327   27.703   88.127   34.185 -19.79952 44.00063 
1 1 1  -28   18    2 o  215.817   11.349  164.051   16.893  160.553   23.426  167.839   24.382  211.634   16.115  216.271   16.411 -4.636520 23.00013 
1 1 1  -28   18    3 o  135.811   16.873   67.013   15.518   74.877   21.415   58.319   22.518  141.149   22.690  122.149   27.320 18.99979 35.51330 
1 1 1  -28   18    4 o  221.885   12.941  174.932   19.787  125.659   34.368  199.363   24.201  178.988   28.714  235.943   14.896 -56.95547 32.34765 
1 1 1  -28   18    5 o   57.304   24.781   1.1824   18.033 -12.3073   30.563   8.3869   22.335   64.879   29.801   68.009   28.414 -3.130081 41.17576 
1 1 1  -28   18    6 o   98.362   22.734   37.940   15.167   17.821   20.640   61.553   22.361   73.878   28.504  123.440   26.930 -49.56174 39.21404 
1 1 1  -28   18    7 o   66.876   24.299   15.929   14.538   20.882   20.601   11.016   20.519   75.847   28.668   66.768   27.505 9.079170 39.72935 
1 1 1  -28   18    8 o  123.539   18.831   58.556   15.592   65.579   21.937   51.388   22.164  125.579   26.092  108.605   28.957 16.97459 38.97849 
1 1 1  -28   18    9 o  108.806   29.342   53.526   22.602   53.526   22.602   0.0000   0.0000  108.806   29.342  ?   ?  0.000000 29.34242 
1 1 1  -28   18   10 o   94.942   29.912   43.154   21.945   17.176   31.781   66.829   30.340   73.625   32.348  112.214   35.141 -38.58807 47.76297 
1 1 1  -28   18   11 o   33.255   16.208 -17.7940   12.078   6.6976   30.203 -22.4558   13.177   65.294   29.856   33.291   16.371 32.00345 34.04992 
1 1 1  -28   18   12 o   77.825   21.934   27.003   12.322   50.341   30.639   22.500   13.458   88.809   34.599   70.189   23.520 18.61971 41.83663 
1 1 1  -28   18   13 o   37.375   18.476 -26.8320   17.545   1.2654   31.184 -39.8449   21.222   58.744   27.959   38.263   19.139 20.48183 33.88241 
1 1 1  -28   18   14 o   34.971   17.135 -17.8173   14.024 -64.4878   31.971  -6.6975   15.606   42.227   21.399   42.134   19.973 0.9280396E-01 29.27140 
1 1 1  -28   18   15 o   34.972   17.351 -23.0079   16.009   0.0000   0.0000 -23.0079   16.009  ?   ?    34.972   17.351 0.000000 17.35104 
1 1 1  -28   18   16 o   53.563   23.218   16.942   15.907   38.517   33.501   10.663   18.074   59.403   28.464   49.378   22.767 10.02557 36.44905 
1 1 1  -28   20    1 o   66.734   24.698   13.944   15.127   5.1286   20.789   23.863   22.052   64.642   27.234   82.726   29.946 -18.08385 40.47821 
1 1 1  -28   20    2 o   49.024   21.930  -4.7260   15.272   14.021   21.123 -25.2629   22.108   72.361   28.567   49.016   23.387 23.34489 36.91916 
1 1 1  -28   20    3 f   76.574   25.378   21.714   15.678   2.2975   21.907   42.101   22.448   63.528   27.393  102.407   29.844 -38.87923 40.50962 
1 1 1  -28   20    4 o   47.957   21.753  -6.6775   15.631   5.2888   21.474 -20.1602   22.794   64.816   27.513   51.800   24.429 13.01568 36.79363 
1 1 1  -28   20    5 o  172.872   15.327  108.481   18.148   99.366   27.176  115.817   24.381  159.129   25.539  175.595   20.444 -16.46623 32.71423 
1 1 1  -28   20    6 o  145.705   15.405   77.774   15.299   72.119   20.653   84.651   22.775  136.026   22.740  147.329   23.094 -11.30246 32.41098 
1 1 1  -28   20    7 o  127.466   17.735   61.303   15.222   56.997   21.744   65.441   21.317  116.480   27.426  126.801   25.178 -10.32095 37.23071 
1 1 1  -28   20    8 o   74.051   24.896   22.220   15.080   22.663   20.974   21.747   21.696   76.035   28.882   75.433   29.191 0.6014862 41.06409 
1 1 1  -28   20    9 o   56.771   24.786   3.7713   18.401   2.4869   22.776   6.1854   31.224   60.308   26.893   68.903   31.046 -8.595417 41.07404 
1 1 1  -28   20   10 o   49.945   21.148   4.6312   12.637 -28.5073   30.209   11.660   13.913   53.223   25.872   58.640   23.173 -5.417099 34.73259 
1 1 1  -28   20   11 o   33.339   16.223 -16.8908   11.962   20.527   30.815 -23.5295   12.980   71.737   31.672   32.416   15.999 39.32087 35.48386 
1 1 1  -28   20   12 o   41.094   18.840  -3.2918   12.135 -45.0683   29.887   4.9551   13.279   46.325   23.101   49.310   21.294 -2.984661 31.41854 
1 1 1  -28   20   13 o   56.610   24.535   11.360   17.756   22.507   30.734   5.7751   21.754   66.502   30.295   55.210   25.279 11.29235 39.45684 
1 1 1  -28   20   14 o   34.522   16.915 -17.2080   13.671  -0.7566   30.506 -21.3423   15.292   54.482   26.367   35.261   17.397 19.22026 31.58926 
1 1 1  -28   20   15 o   48.141   21.616   7.1642   14.986 -13.2146   32.231   12.785   16.927   49.112   24.409   52.977   23.427 -3.864677 33.83286 
1 1 1  -28   22    1 o  157.392   14.336   88.908   15.445   64.713   21.201  116.268   22.545  129.598   24.535  178.133   18.559 -48.53442 30.76393 
1 1 1  -28   22    2 o   56.866   23.704   4.6230   15.494   2.1048   21.429   7.3816   22.428   62.636   27.050   67.659   28.385 -5.023243 39.20986 
1 1 1  -28   22    3 o  100.470   30.259   41.153   22.772   0.0000   0.0000   41.153   22.772  ?   ?   100.470   30.259 0.000000 30.25877 
1 1 1  -28   22    4 o  164.783   14.456   98.090   16.320   84.512   22.866  112.189   23.301  148.222   23.037  173.275   19.784 -25.05327 30.36676 
1 1 1  -28   22    5 o  118.498   19.203   53.165   15.210   45.238   20.463   62.952   22.738  104.636   27.788  124.255   27.195 -19.61848 38.88083 
1 1 1  -28   22    6 o   64.450   24.283   13.902   14.751   25.379   20.004   0.2217   21.840   80.120   28.580   60.103   26.593 20.01729 39.03832 
1 1 1  -28   22    7 o  177.482   13.381  114.595   16.316  127.876   22.842  100.762   23.312  183.867   18.188  160.385   21.546 23.48212 28.19657 
1 1 1  -28   22    8 o  131.149   21.212   68.488   18.597   74.601   22.069   53.512   34.542  134.001   24.705  101.453   37.364 32.54813 44.79290 
1 1 1  -28   22    9 o  102.175   19.484   41.743   13.275   41.907   29.915   41.703   14.814   90.610   34.475  100.356   21.940 -9.746124 40.86386 
1 1 1  -28   22   10 o   67.730   23.208   19.443   13.107   39.044   30.004   14.820   14.571   85.453   33.948   62.214   23.965 23.23867 41.55444 
1 1 1  -28   22   11 o   38.327   17.990  -7.9015   12.106   41.356   30.082 -17.4206   13.224   83.801   33.753   35.226   17.122 48.57494 37.84724 
1 1 1  -28   22   12 o   47.376   21.991  -3.5016   17.281 -42.5561   28.301   19.717   21.821   45.109   22.492   65.732   27.809 -20.62323 35.76645 
1 1 1  -28   22   13 o   71.449   22.875   24.979   12.795   52.439   29.772   18.757   14.171   83.345   33.575   62.318   23.723 21.02747 41.11074 
1 1 1  -28   22   14 o   44.440   20.109   2.2389   13.263  -4.7712   28.760   4.1327   14.948   51.804   25.196   47.313   21.384 4.490353 33.04743 
1 1 1  -28   22   15 o   80.013   25.514   38.993   15.930   29.971   30.447   42.394   18.692   60.388   28.404   78.452   27.665 -18.06411 39.65020 
1 1 1  -28   24    1 o  257.162   9.4054  232.170   16.740  215.501   23.141  250.470   24.246  245.468   13.675  265.270   13.206 -19.80219 19.01098 
1 1 1  -28   24    2 o  165.403   14.229   98.573   16.130   83.552   22.244  115.229   23.424  147.951   22.426  175.971   19.564 -28.02011 29.76070 
1 1 1  -28   24    3 o   55.835   24.566  -0.9492   18.384  -2.1354   21.552   2.2205   35.229   59.216   26.298   75.404   33.549 -16.18806 42.62775 
1 1 1  -28   24    4 o   76.107   26.477   22.012   17.089   20.956   25.978   22.817   22.688   79.628   31.603   79.469   30.074 0.1589890 43.62569 
1 1 1  -28   24    5 o   67.977   24.650   16.619   14.951   15.147   20.302   18.364   22.101   70.179   27.911   74.317   29.258 -4.137787 40.43616 
1 1 1  -28   24    6 o   52.940   22.705   2.8281   14.899  -0.9162   20.280   7.2191   21.962   57.091   25.424   64.473   27.607 -7.382008 37.52994 
1 1 1  -28   24    7 o   63.570   24.280   13.932   14.874   26.810   21.042   1.0715   21.028   80.077   29.212   58.572   25.996 21.50455 39.10420 
1 1 1  -28   24    8 o   71.501   22.466   21.016   12.389   38.649   28.918   17.052   13.711   89.335   33.918   66.018   23.649 23.31725 41.34850 
1 1 1  -28   24    9 o  125.870   16.384   60.961   13.935  119.317   30.474   45.532   15.669  162.868   28.046  104.093   22.412 58.77468 35.90116 
1 1 1  -28   24   10 o  171.945   12.462  109.593   14.730  139.122   31.333  101.216   16.689  175.160   26.690  162.857   14.974 12.30255 30.60338 
1 1 1  -28   24   11 f   67.871   22.423   20.563   12.243   12.259   29.687   22.265   13.439   65.242   29.742   69.848   23.503 -4.606064 37.90722 
1 1 1  -28   24   12 o   47.967   22.281  -2.6712   17.792   5.6878   28.298  -8.1358   22.880   59.321   27.736   50.080   23.866 9.241280 36.59070 
1 1 1  -28   24   13 o   71.764   22.923   25.669   12.854   26.400   29.569   25.498   14.273   66.181   29.979   70.090   24.208 -3.909035 38.53287 
1 1 1  -28   24   14 o   47.494   20.836   6.7377   13.142   22.366   26.071   1.4132   15.217   60.796   27.775   45.267   20.879 15.52856 34.74754 
1 1 1  -28   24   15 o   52.206   22.934   14.093   15.968   0.0000   0.0000   14.093   15.968  ?   ?    52.206   22.934 0.000000 22.93355 
1 1 1  -28   26    1 o   55.545   24.107   1.0154   17.188  -4.1434   20.809   12.093   30.493   56.887   25.512   76.880   32.714 -19.99300 41.48599 
1 1 1  -28   26    2 o   52.445   22.823   0.3323   15.489   0.2999   21.463   0.3676   22.374   60.418   26.563   61.535   27.086 -1.117214 37.93791 
1 1 1  -28   26    3 o  118.010   19.757   53.112   15.567   67.948   21.111   35.434   23.045  131.034   24.169   92.092   30.778 38.94170 39.13298 
1 1 1  -28   26    4 o  165.130   15.613  100.208   17.632  117.659   27.639   88.234   22.896  172.878   23.725  150.160   22.742 22.71854 32.86490 
1 1 1  -28   26    5 o  174.228   13.107  109.991   15.689  120.636   21.493   97.851   22.955  179.426   17.532  158.509   21.477 20.91670 27.72390 
1 1 1  -28   26    6 o   70.619   24.864   19.511   15.093   10.418   21.178   28.897   21.516   65.552   27.546   82.597   29.621 -17.04454 40.44995 
1 1 1  -28   26    7 o   63.157   23.493   14.601   13.721   6.8829   28.425   16.946   15.668   67.912   30.179   67.020   25.070 0.8913803 39.23360 
1 1 1  -28   26    8 o   60.598   23.329   13.028   13.803 -11.4244   28.486   20.531   15.779   58.173   27.397   70.408   25.354 -12.23537 37.32814 
1 1 1  -28   26    9 o   37.850   18.118 -13.8656   13.498 -32.3512   28.739  -8.6334   15.290   50.356   24.642   43.585   20.381 6.771172 31.97856 
1 1 1  -28   26   10 o   52.700   21.902   7.7774   13.171   7.1610   26.830   7.9731   15.117   62.524   28.414   54.669   23.138 7.855492 36.64363 
1 1 1  -28   26   11 o   90.327   26.162   40.378   17.298   41.795   28.148   39.519   21.928   82.028   32.787   84.129   29.932 -2.101326 44.39442 
1 1 1  -28   26   12 o   54.505   21.577   12.015   12.081   7.4488   27.414   13.115   13.458   58.805   27.429   56.295   22.611 2.509541 35.54719 
1 1 1  -28   26   13 o   54.551   22.151   13.002   13.069 -16.3561   28.645   20.720   14.687   49.202   24.184   63.113   24.122 -13.91179 34.15721 
1 1 1  -28   26   14 o   55.111   23.092   15.280   14.813  -2.0078   27.607   22.269   17.554   50.500   24.590   60.983   25.309 -10.48271 35.28799 
1 1 1  -28   26   15 o   40.645   19.378  -2.3955   15.116   9.9122   27.972  -7.4721   17.964   50.726   24.711   40.721   19.830 10.00553 31.68383 
1 1 1  -28   28    1 o   93.124   26.158   35.580   17.555   12.333   21.428   83.024   30.612   68.832   28.203  137.966   32.580 -69.13388 43.09106 
1 1 1  -28   28    2 o  203.932   13.014  149.820   18.273  149.022   22.273  151.463   31.959  201.297   16.122  196.194   24.039 5.102844 28.94481 
1 1 1  -28   28    3 o   96.388   28.320   39.442   20.141   49.415   25.851   24.039   32.128  105.222   32.354   83.536   34.416 21.68594 47.23576 
1 1 1  -28   28    4 o   48.718   22.913 -14.6746   19.803 -14.6746   19.803   0.0000   0.0000   48.718   22.913  ?   ?  0.000000 22.91275 
1 1 1  -28   28    5 o   85.065   26.595   30.670   17.385   17.113   20.766   62.439   31.788   70.899   28.218  112.559   36.058 -41.65989 45.78696 
1 1 1  -28   28    6 o   81.826   23.372   27.884   13.894   29.541   26.031   27.224   16.431   82.686   31.981   80.029   25.954 2.657761 41.18686 
1 1 1  -28   28    7 o   73.440   25.437   22.729   15.765   16.346   28.541   25.532   18.912   72.528   31.270   76.842   27.745 -4.313988 41.80439 
1 1 1  -28   28    8 o   51.271   21.744   5.0353   13.393 -37.2195   26.325   19.790   15.556   46.851   23.059   68.842   25.116 -21.99085 34.09622 
1 1 1  -28   28    9 o   58.785   23.134   12.585   13.812   7.4732   27.941   14.239   15.889   64.129   29.087   61.730   24.648 2.398426 38.12543 
1 1 1  -28   28   10 o   52.196   21.450   8.3534   12.441   60.439   28.282  -4.1448   13.854  100.080   34.093   43.325   19.961 56.75505 39.50634 
1 1 1  -28   28   11 o  112.644   23.084   58.077   17.392   40.737   28.734   68.103   21.848   79.323   32.598  115.821   27.640 -36.49794 42.73889 
1 1 1  -28   28   12 o   93.782   20.369   39.581   12.842   67.366   28.345   32.404   14.406   97.125   34.082   80.128   24.052 16.99738 41.71460 
1 1 1  -28   28   13 o   65.626   23.710   23.047   13.814 -45.8488   29.967   41.638   15.567   43.045   21.691   88.604   24.542 -45.55971 32.75384 
1 1 1  -28   28   14 o   33.672   16.598 -17.2792   13.814 -69.7073   31.979  -5.2510   15.317  ?   ?    40.601   19.398 0.000000 19.39845 
1 1 1  -28   30    1 o  184.062   12.441  122.118   15.755  119.260   22.240  124.998   22.323  177.837   18.332  182.430   17.911 -4.593719 25.62910 
1 1 1  -28   30    2 o  127.710   18.298   62.019   15.712   59.843   21.520   64.504   22.992  119.688   26.662  123.669   27.566 -3.981209 38.35018 
1 1 1  -28   30    3 o   81.479   28.459   27.607   19.752   21.844   25.776   35.805   30.743   77.881   31.287   90.252   34.797 -12.37107 46.79495 
1 1 1  -28   30    4 o   68.704   25.911   17.356   16.805   39.230   20.075 -33.8732   30.722   94.552   28.396   54.161   26.273 40.39082 38.68587 
1 1 1  -28   30    5 o   78.558   28.921   25.993   20.692   21.512   26.749   32.668   32.651   76.510   31.448   86.031   34.981 -9.521408 47.03929 
1 1 1  -28   30    6 o   69.113   25.132   19.164   15.557   39.937   27.392   9.2732   18.901   90.316   33.271   61.378   25.920 28.93788 42.17593 
1 1 1  -28   30    7 o   94.822   21.438   37.366   13.739   60.146   26.589   29.067   16.048  108.936   32.671   80.896   25.589 28.04003 41.49931 
1 1 1  -28   30    8 o   89.552   22.617   34.688   14.022   20.746   27.202   39.734   16.364   72.059   30.786   94.119   24.780 -22.06059 39.51993 
1 1 1  -28   30    9 o   77.775   23.251   27.271   13.482   47.112   25.764   19.788   15.822   91.325   32.449   67.014   25.168 24.31113 41.06576 
1 1 1  -28   30   10 o   38.277   18.761 -22.7606   16.859  -0.0416   27.238 -36.8685   21.464   57.613   27.024   39.798   19.803 17.81445 33.50317 
1 1 1  -28   30   11 o   50.187   20.743   8.3371   11.721   14.605   27.836   6.9862   12.923   62.471   28.601   49.813   21.249 12.65811 35.63048 
1 1 1  -28   30   12 o   76.513   22.484   28.884   12.694   67.122   29.161   19.945   14.100   92.991   34.317   62.767   23.719 30.22383 41.71617 
1 1 1  -28   30   13 o   54.968   22.918   14.562   14.489   29.873   28.838   9.3918   16.757   63.716   29.149   51.387   22.980 12.32876 37.11801 
1 1 1  -28   30   14 o   65.305   24.132   26.643   14.430   30.566   31.871   25.632   16.183   58.639   28.007   62.287   24.873 -3.647865 37.45730 
1 1 1  -28   32    1 o   46.181   21.021  -5.2528   14.758   4.7430   21.061 -14.8976   20.688   61.256   26.635   49.501   23.323 11.75473 35.40319 
1 1 1  -28   32    2 o  107.003   22.865   46.569   16.419   51.854   26.017   43.072   21.167  105.318   32.469   98.511   29.058 6.807167 43.57313 
1 1 1  -28   32    3 o   48.308   21.411  -0.9161   14.218  -1.8849   19.554   0.1705   20.709   54.815   24.645   57.453   25.630 -2.638309 35.55714 
1 1 1  -28   32    4 o   48.684   21.952  -2.9790   15.646  -5.9122   24.679  -1.0081   20.230   57.902   26.664   55.832   25.089 2.069336 36.61128 
1 1 1  -28   32    5 o   54.821   24.713  -1.1836   19.812 -31.7707   25.316   47.151   31.824   47.971   23.400   95.053   35.695 -47.08178 42.68163 
1 1 1  -28   32    6 o   83.074   25.558   30.651   16.129   24.307   27.962   33.815   19.745   76.453   31.854   85.224   28.489 -8.770409 42.73534 
1 1 1  -28   32    7 o   63.065   23.690   15.734   14.019   5.2439   26.812   19.681   16.446   63.108   28.571   68.378   25.664 -5.269634 38.40498 
1 1 1  -28   32    8 o  111.977   19.090   51.221   14.264   67.366   28.026   45.578   16.571  109.983   33.666  100.901   24.066 9.082642 41.38299 
1 1 1  -28   32    9 o  116.841   15.900   53.875   12.524   58.537   26.675   52.557   14.185   99.636   33.107  112.728   18.846 -13.09286 38.09537 
1 1 1  -28   32   10 o   44.529   20.996  -7.3346   16.824  -6.5463   28.820  -7.7420   20.722   55.149   26.419   48.468   22.987 6.680851 35.01941 
1 1 1  -28   32   11 o   63.617   22.043   19.252   11.839   21.873   27.049   18.630   13.167   64.741   29.057   62.259   23.043 2.481365 37.08427 
1 1 1  -28   32   12 o   49.039   20.630   8.6429   11.900   19.883   27.396   6.0291   13.211   60.991   28.089   47.534   20.871 13.45754 34.99400 
1 1 1  -28   32   13 o   52.976   21.757   13.617   12.790   8.1317   27.582   15.120   14.436   53.238   25.593   54.515   22.816 -1.277744 34.28610 
1 1 1  -28   34    1 o   64.107   24.519   14.630   15.182   41.587   22.044  -9.6960   20.940   95.148   29.979   51.845   24.112 43.30272 38.47271 
1 1 1  -28   34    2 o  158.195   15.874   94.112   17.146   46.371   27.191  125.625   22.092   97.278   33.423  181.105   17.857 -83.82723 37.89457 
1 1 1  -28   34    3 o   83.085   21.709   28.508   12.622   21.883   26.140   30.522   14.413   75.614   31.085   84.886   23.652 -9.272484 39.06027 
1 1 1  -28   34    4 o  169.215   11.351  103.874   13.217  100.537   26.870  104.939   15.180  152.311   26.449  168.816   13.095 -16.50478 29.51273 
1 1 1  -28   34    5 o  101.946   20.237   42.296   13.775   64.293   26.519   34.166   16.121  113.381   32.256   87.772   25.209 25.60836 40.93790 
1 1 1  -28   34    6 o   59.368   22.811   13.013   13.178   43.659   27.680   4.0311   14.986   90.081   33.396   51.971   22.532 38.10990 40.28622 
1 1 1  -28   34    7 o   54.751   21.969   9.8505   12.691 -21.6927   28.471   17.671   14.177   52.560   25.446   64.790   23.924 -12.23074 34.92646 
1 1 1  -28   34    8 o   44.326   19.685   0.5722   12.075 -25.4732   26.362   7.4881   13.584   48.636   23.758   52.408   22.044 -3.772430 32.40944 
1 1 1  -28   34    9 o   40.017   19.270 -14.4503   15.804 -32.0439   25.348  -3.2633   20.213   44.984   22.231   50.490   23.551 -5.506241 32.38647 
1 1 1  -28   34   10 o   41.308   18.723  -0.8328   11.553   21.473   27.527  -5.6016   12.728   65.622   29.392   39.680   18.568 25.94239 34.76588 
1 1 1  -28   34   11 o   61.496   21.600   18.160   11.386   18.283   26.001   18.131   12.665   61.343   27.914   60.939   22.591 0.4038849 35.90990 
1 1 1  -28   34   12 o   47.550   21.156   6.1475   14.009   12.927   30.921   4.3966   15.714   57.141   27.371   47.508   21.650 9.632446 34.89828 
1 1 1  -28   34   13 f   43.481   19.606   4.3753   12.481   12.746   26.497   1.9886   14.149   53.116   25.415   43.128   19.976 9.987820 32.32585 
1 1 1  -28   36    1 o   53.308   22.864   4.5021   15.108  -0.3265   22.296   8.6011   20.543   57.744   26.106   61.944   26.617 -4.199837 37.28222 
1 1 1  -28   36    2 o   58.224   21.959   12.096   12.070   6.2293   25.537   13.784   13.696   64.151   28.551   61.413   23.336 2.737862 36.87475 
1 1 1  -28   36    3 o   61.102   21.897   14.477   11.756  -7.8780   25.030   20.805   13.317   56.160   26.200   70.353   23.392 -14.19343 35.12340 
1 1 1  -28   36    4 o  109.427   16.728   46.551   12.266   59.317   26.759   43.155   13.802  107.033   32.918  102.869   20.106 4.163742 38.57249 
1 1 1  -28   36    5 o   50.524   21.517   4.8536   13.213  -0.3196   24.238   7.0408   15.760   58.134   26.642   55.237   23.512 2.897373 35.53328 
1 1 1  -28   36    6 o   57.681   22.244   12.426   12.565   3.0054   26.249   15.226   14.310   60.544   27.739   61.874   23.772 -1.329987 36.53118 
1 1 1  -28   36    7 o   48.012   20.637   4.2015   12.356   28.678   25.940  -2.9811   14.052   74.780   30.879   44.483   20.349 30.29677 36.98115 
1 1 1  -28   36    8 o   75.953   21.926   26.136   12.168   0.4505   26.844   32.779   13.651   57.498   26.925   84.487   22.811 -26.98933 35.28901 
1 1 1  -28   36    9 o   51.369   22.864   5.1003   16.380  -2.7176   26.389   10.000   20.892   54.557   25.894   57.629   25.724 -3.072060 36.49922 
1 1 1  -28   36   10 o   37.209   17.343  -4.5856   10.926  -0.6834   26.511  -5.3841   11.992   53.893   25.685   38.345   17.969 15.54806 31.34658 
1 1 1  -28   36   11 o   50.294   20.931   9.8561   12.054   58.098   27.765  -1.3471   13.380   84.599   32.943   42.095   19.472 42.50404 38.26772 
1 1 1  -28   36   12 o   43.914   19.702   4.0607   12.423   26.302   27.174  -1.8155   13.967   60.535   27.913   41.360   19.385 19.17554 33.98437 
1 1 1  -28   38    1 o   45.250   21.013  -7.3342   15.806 -13.6098   24.161  -2.6383   20.900   52.391   24.840   54.228   24.811 -1.836781 35.10820 
1 1 1  -28   38    2 o   81.376   21.344   27.941   12.170   2.4922   25.332   35.577   13.876   60.869   27.642   91.484   22.152 -30.61582 35.42250 
1 1 1  -28   38    3 o   97.366   18.803   38.292   12.212   38.146   25.068   38.337   13.984   86.014   31.802   95.187   21.707 -9.173416 38.50467 
1 1 1  -28   38    4 o   45.639   20.183   0.5616   12.564   12.210   24.131  -3.7703   14.716   64.844   28.346   45.491   20.815 19.35302 35.16739 
1 1 1  -28   38    5 f   43.080   19.385  -1.4397   12.125   0.8605   23.985  -2.2294   14.053   57.571   26.428   45.330   20.587 12.24068 33.49973 
1 1 1  -28   38    6 o   46.584   20.176   3.2062   11.992   27.702   26.538  -3.0792   13.443   73.926   30.936   43.515   19.905 30.41086 36.78691 
1 1 1  -28   38    7 o   98.308   27.935   49.572   19.902   59.707   27.754   38.844   28.555   97.933   33.761   79.708   32.596 18.22469 46.92863 
1 1 1  -28   38    8 o   70.397   25.700   25.086   16.291   54.293   25.276   4.3295   21.308   93.196   32.213   54.753   25.051 38.44318 40.80751 
1 1 1  -28   38    9 o   74.804   21.815   26.551   11.991   31.805   26.590   25.209   13.434   70.846   30.357   71.123   23.488 -0.2768936 38.38327 
1 1 1  -28   38   10 o   40.912   18.526   0.2107   11.279 -37.9951   26.838   8.4060   12.430   42.687   21.378   49.410   20.951 -6.723000 29.93215 
1 1 1  -28   38   11 o   36.877   17.969 -13.7417   14.818   0.0000   0.0000 -13.7417   14.818  ?   ?    36.877   17.969 0.000000 17.96942 
1 1 1  -28   38   12 o   31.376   15.532 -17.9878   12.558 -35.6976   25.551 -12.3476   14.420   39.652   19.987   36.009   17.586 3.643322 26.62242 
1 1 1  -28   40    1 o   47.405   21.029   0.7744   13.744   0.0000   0.0000   0.7744   13.744  ?   ?    47.405   21.029 0.000000 21.02945 
1 1 1  -28   40    2 o   41.556   18.870  -2.8824   11.804 -30.2585   25.109   4.8838   13.374   46.733   22.904   50.393   21.560 -3.659874 31.45472 
1 1 1  -28   40    3 o  102.633   17.638   42.254   12.077   66.098   25.022   35.013   13.790  113.106   31.029   89.480   22.336 23.62615 38.23253 
1 1 1  -28   40    4 o   44.901   19.947   0.4987   12.408  -3.0888   24.167   1.7830   14.460   55.367   25.801   48.617   21.568 6.749432 33.62897 
1 1 1  -28   40    5 o   43.494   19.486  -0.3617   12.107   8.1463   26.714  -2.5608   13.582   61.850   28.202   43.949   20.067 17.90166 34.61273 
1 1 1  -28   40    6 o  117.811   15.842   55.105   12.590   61.317   27.446   53.449   14.169   99.556   33.587  113.277   18.727 -13.72148 38.45459 
1 1 1  -28   40    7 o   53.598   21.418   10.905   12.009   0.4971   24.918   14.054   13.706   55.236   25.890   57.947   22.969 -2.711269 34.60996 
1 1 1  -28   40    8 o  101.913   19.265   45.176   13.091   56.683   26.055   41.290   15.140   91.711   32.628   92.190   23.622 -0.4794922 40.28081 
1 1 1  -28   40    9 o   54.681   21.255   13.239   11.542 -16.5268   24.598   21.643   13.070   46.603   22.804   65.346   23.124 -18.74356 32.47627 
1 1 1  -28   40   10 o   46.643   20.204   6.5826   12.028   3.9980   26.015   7.2853   13.565   52.992   25.308   48.361   21.193 4.631577 33.00987 
1 1 1  -28   40   11 o   37.490   17.900  -6.3241   13.000 -30.9317   28.531   0.1237   14.604   43.086   21.641   42.818   19.988 0.2678604 29.45992 
1 1 1  -28   42    1 o   41.454   18.809  -2.3468   11.698  -0.3245   23.849  -2.9876   13.424   56.271   26.018   43.620   19.929 12.65110 32.77391 
1 1 1  -28   42    2 o   48.981   20.995   4.8092   12.725   0.0000   0.0000   4.8092   12.725  ?   ?    48.981   20.995 0.000000 20.99476 
1 1 1  -28   42    3 o   59.880   22.288   14.922   12.354   22.102   27.509   13.109   13.826   69.813   30.398   58.245   23.075 11.56761 38.16396 
1 1 1  -28   42    4 o   59.753   21.959   15.142   11.921   55.415   27.252   5.6118   13.257   94.827   33.408   49.867   21.403 44.95989 39.67574 
1 1 1  -28   42    5 o   53.684   21.364   10.711   11.902   21.424   25.230   7.6439   13.498   67.338   29.216   51.617   21.856 15.72144 36.48647 
1 1 1  -28   42    6 o   51.657   21.000   9.4621   11.764 -22.4537   25.088   18.458   13.319   46.835   22.941   63.034   23.203 -16.19866 32.62977 
1 1 1  -28   42    7 o   51.340   22.525   6.9840   15.362   10.024   24.757   5.0807   19.588   58.363   26.813   53.016   24.165 5.347115 36.09512 
1 1 1  -28   42    8 o   55.021   21.784   13.326   12.315   34.263   25.161   6.7295   14.123   71.252   29.987   49.419   21.642 21.83371 36.98109 
1 1 1  -28   42    9 o   37.988   17.830  -4.5721   11.889 -49.5122   23.477   10.929   13.788   37.059   18.734   51.948   22.049 -14.88955 28.93272 
1 1 1  -28   42   10 o   39.156   18.593  -5.1283   13.638 -15.3366   26.209  -1.3383   15.970   45.663   22.574   43.535   20.506 2.128056 30.49705 
1 1 1  -28   42   11 o   29.325   14.612 -20.2710   11.856 -26.2878   25.923 -18.6794   13.332   41.261   20.712   31.979   15.861 9.281525 26.08718 
1 1 1  -28   44    1 o   45.906   19.678   4.0619   11.181 -12.7317   23.935   8.7493   12.645   49.959   23.970   52.254   21.567 -2.294861 32.24451 
1 1 1  -28   44    2 o   39.092   17.991  -3.7915   11.213   40.610   26.097 -13.8447   12.418   81.717   31.906   35.094   16.944 46.62336 36.12569 
1 1 1  -28   44    3 o  120.582   18.514   60.607   14.957   0.0000   0.0000   60.607   14.957  ?   ?   120.582   18.514 0.000000 18.51406 
1 1 1  -28   44    4 o   51.425   21.616   8.1996   13.047   0.0000   0.0000   8.1996   13.047  ?   ?    51.425   21.616 0.000000 21.61576 
1 1 1  -28   44    5 o   47.697   20.309   5.9720   11.766   16.244   28.055   3.7795   12.961   63.183   28.845   46.905   20.632 16.27751 35.46459 
1 1 1  -28   44    6 o   70.709   21.887   23.897   11.808   27.615   26.415   22.969   13.200   68.039   29.702   68.045   23.291 -0.5912781E-02 37.74495 
1 1 1  -28   44    7 o   39.885   18.383  -2.2327   11.767 -18.2780   25.809   1.9776   13.221   47.016   23.078   44.774   20.185 2.242138 30.66019 
1 1 1  -28   44    8 f   62.400   22.353   19.862   12.250   39.444   25.820   14.174   13.916   72.082   30.359   55.223   22.689 16.85954 37.90084 
1 1 1  -28   44    9 o   41.505   19.398  -1.6273   13.817 -28.9561   26.636   8.4335   16.161   42.924   21.466   49.834   22.406 -6.910381 31.02936 
1 1 1  -28   44   10 o   77.144   23.971   35.048   14.149  -1.3922   27.116   48.682   16.586   48.324   23.707   89.809   25.496 -41.48503 34.81449 
1 1 1  -28   46    1 o   44.180   19.364   2.6695   11.327   14.985   25.116  -0.4752   12.691   62.214   27.955   43.334   19.634 18.87983 34.16146 
1 1 1  -28   46    2 o  109.877   17.500   50.146   12.862   68.195   28.009   45.322   14.479  101.527   33.931  100.132   21.532 1.394531 40.18634 
1 1 1  -28   46    3 o   82.158   20.977   30.773   11.969   26.195   27.904   31.806   13.250   68.183   30.119   81.763   22.640 -13.57980 37.67958 
1 1 1  -28   46    4 o   56.413   22.410   13.698   13.073   0.0000   0.0000   13.698   13.073  ?   ?    56.413   22.410 0.000000 22.40972 
1 1 1  -28   46    5 o   32.316   15.882 -18.1351   12.338   0.0000   0.0000 -18.1351   12.338  ?   ?    32.316   15.882 0.000000 15.88168 
1 1 1  -28   46    6 o   55.863   23.604   13.665   15.690 -22.0927   29.036   28.413   18.647   47.933   23.708   69.228   26.986 -21.29548 35.92113 
1 1 1  -28   46    7 o   46.922   20.292   6.6785   12.093   4.5927   25.019   7.3145   13.814   53.087   25.201   48.708   21.365 4.378185 33.03881 
1 1 1  -28   46    8 f   32.756   15.969 -12.9327   11.743 -16.7659   25.622 -11.9135   13.212   45.180   22.332   35.367   17.173 9.813030 28.17173 
1 1 1  -28   46    9 o   48.164   21.059   9.5877   13.327   37.863   25.480  -1.0599   15.636   64.954   28.733   42.502   20.101 22.45248 35.06607 
1 1 1  -28   48    1 o   43.959   19.354   2.9635   11.428   35.615   26.983  -4.1743   12.616   72.642   30.838   40.070   18.663 32.57142 36.04593 
1 1 1  -28   48    2 o   46.556   20.236   5.0460   12.149   36.210   25.332  -4.2622   13.844   73.534   30.452   41.583   19.428 31.95168 36.12160 
1 1 1  -28   48    3 o   38.740   17.902  -2.9757   11.265 -31.8585   25.286   4.1752   12.582   43.222   21.504   46.037   20.286 -2.815693 29.56284 
1 1 1  -28   48    4 o   71.939   21.613   25.175   11.628   18.590   26.227   26.786   12.973   61.184   27.916   72.634   23.010 -11.44981 36.17723 
1 1 1  -28   48    5 o   30.190   14.929 -19.0922   11.495 -50.1951   25.271 -10.9783   12.908   38.729   19.565   36.027   17.365 2.702126 26.15980 
1 1 1  -28   48    6 o   39.495   18.598  -4.4243   13.120   0.0000   0.0000  -4.4243   13.120  ?   ?    39.495   18.598 0.000000 18.59821 
1 1 1  -28   48    7 o   71.537   23.880   29.111   13.873   0.0000   0.0000   29.111   13.873  ?   ?    71.537   23.880 0.000000 23.88007 
1 1 1  -28   48    8 o   48.608   21.942   9.1048   15.680   0.0000   0.0000   9.1048   15.680  ?   ?    48.608   21.942 0.000000 21.94188 
1 1 1  -28   50    1 o  109.677   17.655   51.837   12.947   15.732   25.486   64.396   15.031   59.032   27.151  121.264   18.495 -62.23199 32.85207 
1 1 1  -28   50    2 o   44.096   19.247   4.3352   11.089   52.780   25.171  -7.3309   12.352   84.270   31.726   37.165   17.662 47.10485 36.31108 
1 1 1  -28   50    3 o   45.473   19.709   5.5914   11.458   25.644   23.784  -0.4686   13.075   63.827   28.015   42.250   19.438 21.57693 34.09826 
1 1 1  -28   50    4 o   29.708   14.740 -20.1707   11.559 -19.5756   24.058 -20.3493   13.181   44.096   21.767   32.215   15.941 11.88046 26.98014 
1 1 1  -28   50    5 o   43.934   20.350   0.7469   14.684 -19.5073   24.128   12.661   18.505   43.615   21.579   53.724   24.078 -10.10852 32.33299 
1 1 1  -28   50    6 o   47.064   20.161   8.4751   11.721 -34.7122   24.761   20.946   13.306   39.856   20.037   60.807   23.026 -20.95045 30.52364 
1 1 1  -28   50    7 o   79.190   23.615   36.285   13.920   0.0000   0.0000   36.285   13.920  ?   ?    79.190   23.615 0.000000 23.61486 
1 1 1  -28   52    1 o   34.595   16.563  -8.1771   11.291   1.0107   22.222 -11.3744   13.109   49.402   23.537   35.628   17.253 13.77423 29.18318 
1 1 1  -28   52    2 o   52.460   21.125   12.808   11.781  -6.8439   24.553   18.685   13.427   47.625   23.190   59.068   22.935 -11.44262 32.61544 
1 1 1  -28   52    3 o   40.219   18.344   0.6634   11.313 -17.2537   23.201   6.2524   12.958   43.287   21.370   46.231   20.468 -2.943748 29.59087 
1 1 1  -28   52    4 o   62.001   21.886   20.762   11.702   41.200   24.839   14.932   13.266   69.387   29.526   53.976   22.162 15.41144 36.91801 
1 1 1  -28   52    5 o   36.320   17.161  -4.0831   11.344 -16.1512   23.079  -0.2390   13.026   42.424   21.010   40.665   18.948 1.758957 28.29220 
1 1 1  -28   54    1 o   37.952   18.011  -4.4310   12.760   13.727   21.046 -14.9860   16.046   52.913   24.457   36.937   18.145 15.97554 30.45276 
1 1 1  -28   54    2 o   36.121   17.083  -4.2554   11.293  -2.8863   21.684  -4.7649   13.228   45.664   22.133   38.193   18.187 7.470917 28.64620 
1 1 1  -28   54    3 o   32.101   15.633 -11.0305   11.171 -11.2537   23.422 -10.9647   12.709   43.589   21.510   34.298   16.697 9.290924 27.22969 
1 1 1  -27    1    1 o   66.598   26.568   8.8707   18.447   29.151   26.197 -11.0732   25.979   93.283   32.764   62.828   28.313 30.45518 43.30194 
1 1 1  -27    1    2 o  200.069   15.324  141.191   21.058  149.073   29.608  133.122   29.956  203.867   21.298  191.968   23.005 11.89951 31.35033 
1 1 1  -27    1    3 o  139.358   15.244   68.929   14.464   94.455   20.355   42.897   20.556  162.570   18.415  106.906   27.594 55.66395 33.17481 
1 1 1  -27    1    4 o  192.459   11.398  129.704   15.114  124.861   21.013  134.895   21.756  187.654   16.342  195.126   16.258 -7.471146 23.05187 
1 1 1  -27    1    5 o  180.043   12.913  114.074   15.984  106.574   22.827  121.291   22.390  172.155   19.502  184.351   17.769 -12.19571 26.38263 
1 1 1  -27    1    6 o  111.373   21.908   45.992   16.286   51.723   23.365   40.577   22.712  116.135   29.122  103.201   30.003 12.93414 41.81202 
1 1 1  -27    1    7 o  259.311   10.286  235.091   18.461  221.974   26.001  248.425   26.215  250.084   15.093  264.925   14.351 -14.84053 20.82640 
1 1 1  -27    1    8 o  159.687   16.104   91.882   17.555  102.113   25.367   82.478   24.319  165.344   22.771  147.381   24.716 17.96358 33.60652 
1 1 1  -27    1    9 o   71.565   29.575   10.980   23.823   0.0000   0.0000   10.980   23.823  ?   ?    71.565   29.575 0.000000 29.57488 
1 1 1  -27    1   10 o   50.415   23.311 -10.9113   19.147 -23.7496   24.373   9.7805   30.943   51.738   24.650   75.343   32.522 -23.60553 40.80775 
1 1 1  -27    1   11 o   71.230   26.442   18.703   17.365   17.725   23.962   19.785   25.200   74.136   30.031   76.498   30.864 -2.361412 43.06361 
1 1 1  -27    1   12 o   60.422   25.318   8.6114   17.809   8.1567   24.980   9.0814   25.398   66.272   28.908   67.172   29.228 -0.9005661 41.10947 
1 1 1  -27    1   13 o   84.141   29.073   33.260   20.588   18.390   25.383   61.854   35.197   71.326   30.074  102.905   37.744 -31.57900 48.26020 
1 1 1  -27    1   14 o   51.795   23.937  -3.7282   20.151 -24.8342   36.349   5.6357   24.211   57.509   28.049   60.394   27.263 -2.884674 39.11592 
1 1 1  -27    1   15 o   62.159   23.787   17.012   14.293  -6.1707   38.484   20.722   15.395   60.988   29.541   66.494   24.855 -5.505196 38.60638 
1 1 1  -27    1   16 o   46.895   19.997   5.9297   11.436   13.136   16.242  -1.1560   16.105   56.708   23.992   46.215   21.373 10.49335 32.13084 
1 1 1  -27    1   17 o   40.511   18.650  -0.7105   12.062  -0.4478   16.948  -0.9800   17.169   45.509   21.337   45.404   21.348 0.1051598 30.18295 
1 1 1  -27    3    1 o  202.980   13.881  144.793   19.383  140.000   27.665  149.415   27.166  197.796   20.507  204.747   19.402 -6.950119 28.23051 
1 1 1  -27    3    2 o  304.111   11.275  322.426   23.732  328.927   33.411  315.805   33.716  305.673   15.847  299.338   16.336 6.335236 22.75939 
1 1 1  -27    3    3 o  169.223   12.522  100.580   14.561  118.425   20.441   82.196   20.748  182.813   16.327  150.954   20.380 31.85905 26.11344 
1 1 1  -27    3    4 o  210.701   10.983  155.256   15.961  137.149   22.326  174.182   22.826  196.660   16.557  222.255   14.925 -25.59505 22.29127 
1 1 1  -27    3    5 o  148.800   15.586   78.766   15.813   62.975   22.504   94.169   22.225  129.736   25.968  161.411   20.347 -31.67487 32.99012 
1 1 1  -27    3    6 o  219.349   11.550  168.780   17.473  179.765   24.542  157.488   24.883  225.078   15.856  210.112   17.263 14.96581 23.44005 
1 1 1  -27    3    7 o   54.699   23.511   0.3307   16.037  -8.5158   23.722   7.7779   21.765   60.097   27.071   68.622   28.306 -8.524860 39.16690 
1 1 1  -27    3    8 o  108.341   23.053   44.700   16.755   70.241   23.851   19.815   23.543  134.843   26.502   79.874   30.537 54.96893 40.43322 
1 1 1  -27    3    9 o   87.469   29.943   29.587   21.817   50.000   32.380   12.615   29.524  108.510   36.481   77.640   32.569 30.87034 48.90459 
1 1 1  -27    3   10 o  103.875   29.974   45.598   22.745   45.598   22.745   0.0000   0.0000  103.875   29.974  ?   ?  0.000000 29.97427 
1 1 1  -27    3   11 o   47.806   22.187 -10.2208   17.581 -28.6565   23.731   12.208   26.175   48.311   23.349   71.497   30.364 -23.18646 38.30359 
1 1 1  -27    3   12 o  123.081   22.214   61.313   18.227   76.736   25.589   45.431   25.968  131.729   28.865   97.411   32.671 34.31821 43.59524 
1 1 1  -27    3   13 o   92.544   29.084   40.724   20.762   88.826   25.917 -45.4488   34.689  140.703   27.600   52.952   26.139 87.75111 38.01302 
1 1 1  -27    3   14 o   65.509   27.138   16.685   20.130   11.780   38.704   18.503   23.568   70.055   32.648   68.153   28.871 1.901764 43.58239 
1 1 1  -27    3   15 o   40.931   19.120  -6.1412   13.399   40.312   36.042 -13.5915   14.434   77.815   34.310   38.454   18.493 39.36139 38.97602 
1 1 1  -27    3   16 f   63.800   21.774   19.321   11.537   17.209   16.180   21.505   16.454   60.380   24.597   64.682   25.312 -4.302200 35.29453 
1 1 1  -27    3   17 o   64.461   24.720   23.987   15.457   32.522   17.199 -11.8683   35.251   72.431   26.412   51.549   25.605 20.88181 36.78550 
1 1 1  -27    5    1 o   79.237   27.518   20.794   18.455   11.395   25.991   30.351   26.209   77.503   31.319   94.398   32.792 -16.89432 45.34520 
1 1 1  -27    5    2 o  182.400   16.458  117.884   20.553  117.561   29.360  118.195   28.780  179.770   24.213  180.473   23.607 -0.7040100 33.81670 
1 1 1  -27    5    3 o  146.207   14.638   75.676   14.614   40.602   20.206  114.148   21.162  104.023   27.607  179.181   17.278 -75.15762 32.56807 
1 1 1  -27    5    4 o  312.316   8.3235  339.107   17.992  299.059   24.919  382.720   26.004  292.498   12.309  331.140   11.346 -38.64188 16.74084 
1 1 1  -27    5    5 o   81.661   24.823   24.380   15.273   19.871   21.519   28.957   21.681   80.145   29.495   89.952   29.845 -9.806297 41.96040 
1 1 1  -27    5    6 o   43.500   20.384 -14.5879   15.430 -17.4330   21.833 -11.7489   21.810   52.887   24.605   55.835   25.469 -2.948574 35.41263 
1 1 1  -27    5    7 o  141.654   17.537   72.566   16.826   65.555   24.681   78.654   23.000  130.386   28.173  145.138   23.716 -14.75206 36.82575 
1 1 1  -27    5    8 o   60.667   24.882   6.5418   16.699  -1.9010   24.213   14.201   23.062   63.947   28.162   74.425   29.701 -10.47856 40.92960 
1 1 1  -27    5    9 o   57.148   24.929   0.0267   18.576 -25.0732   31.453   13.472   23.020   60.568   28.604   72.657   29.434 -12.08879 41.04377 
1 1 1  -27    5   10 o   54.889   24.399  -2.1701   18.591 -10.6404   22.786   14.698   32.155   55.486   25.577   78.946   33.594 -23.46014 42.22195 
1 1 1  -27    5   11 f  194.389   14.408  138.184   19.247  139.927   26.112  136.111   28.479  190.968   20.056  185.963   22.591 5.004639 30.20909 
1 1 1  -27    5   12 o   41.971   20.211 -20.1866   17.386 -12.3489   24.713 -27.8685   24.466   54.962   25.768   48.629   23.554 6.333057 34.91135 
1 1 1  -27    5   13 o   75.448   26.816   25.193   17.596   27.314   25.256   23.193   24.528   77.810   31.072   74.393   30.292 3.417168 43.39481 
1 1 1  -27    5   14 o   72.830   23.468   23.749   13.451  -7.6683   38.784   28.044   14.341   63.497   30.478   78.477   24.092 -14.98064 38.85027 
1 1 1  -27    5   15 o   42.116   19.564  -4.9133   13.719   4.7366   36.716  -6.4792   14.790   63.284   30.180   42.656   19.978 20.62873 36.19317 
1 1 1  -27    5   16 o   54.032   22.308   11.601   13.534   16.151   32.224   10.627   14.914   62.456   29.327   53.773   22.880 8.682865 37.19673 
1 1 1  -27    5   17 o   83.226   24.188   37.766   14.764   37.869   16.521   37.356   32.895   79.798   26.033   65.610   30.414 14.18737 40.03398 
1 1 1  -27    7    1 o  107.691   26.041   43.330   19.197   39.156   26.994   47.600   27.305  103.506   33.235  112.387   32.961 -8.880157 46.80840 
1 1 1  -27    7    2 o  144.000   16.476   73.840   16.125   67.377   19.592   87.415   28.392  136.115   21.512  153.316   27.780 -17.20148 35.13482 
1 1 1  -27    7    3 o  281.917   8.5663  276.320   16.714  261.286   23.042  293.016   24.282  273.493   12.173  289.637   12.113 -16.14401 17.17293 
1 1 1  -27    7    4 o   75.146   24.651   19.747   14.807   11.085   20.493   29.209   21.418   70.837   28.083   90.317   29.649 -19.48005 40.83787 
1 1 1  -27    7    5 o  176.325   13.162  109.579   15.947   91.883   21.942  129.391   23.216  159.302   20.367  190.319   17.833 -31.01703 27.07116 
1 1 1  -27    7    6 o  275.702   9.4682  265.085   18.067  250.879   25.959  278.432   25.161  266.606   14.118  281.627   12.908 -15.02115 19.13006 
1 1 1  -27    7    7 o   50.046   22.360  -5.1082   15.827   13.741   23.333 -21.1717   21.540   75.041   29.898   50.325   23.738 24.71582 38.17532 
1 1 1  -27    7    8 o  106.709   29.216   45.336   22.210   59.610   33.052   33.585   29.989  119.303   36.567   95.269   34.856 24.03381 50.51768 
1 1 1  -27    7    9 o   63.927   25.060   11.270   16.150   5.6424   22.507   17.243   23.187   65.951   28.086   75.809   29.930 -9.857620 41.04408 
1 1 1  -27    7   10 o   63.222   25.288   10.763   16.759 -17.7845   22.919   43.570   24.569   52.161   24.568  100.568   31.644 -48.40628 40.06159 
1 1 1  -27    7   11 o   68.269   27.502   14.315   19.976   7.5034   23.569   31.693   37.644   65.937   28.422   88.983   37.008 -23.04671 46.66266 
1 1 1  -27    7   12 o   51.414   23.719  -7.2742   19.656  -6.0110   24.286  -9.6732   33.468   57.366   26.429   64.000   30.000 -6.633972 39.98095 
1 1 1  -27    7   13 o   52.240   23.366   0.3837   17.332   8.2488   25.066  -6.8228   23.993   64.205   28.445   55.307   25.752 8.897724 38.37001 
1 1 1  -27    7   14 o   74.881   23.679   25.371   13.743   10.634   35.876   27.905   14.878   68.181   31.660   77.738   24.643 -9.557159 40.12057 
1 1 1  -27    7   15 o   62.975   24.690   17.858   15.677   0.0000   0.0000   17.858   15.677  ?   ?    62.975   24.690 0.000000 24.68963 
1 1 1  -27    7   16 o   80.418   23.302   32.130   13.720 -36.7073   31.584   48.141   15.232   47.105   23.530  100.945   22.389 -53.83986 32.47970 
1 1 1  -27    7   17 o   40.787   18.560   0.8406   11.495   7.6628   15.842  -6.7449   16.704   49.386   22.196   41.902   20.083 7.484066 29.93303 
1 1 1  -27    9    1 o  286.153   9.2188  284.836   18.258  263.082   21.928  334.000   32.966  274.607   11.538  308.039   15.512 -33.43185 19.33253 
1 1 1  -27    9    2 o  161.285   14.536   91.919   16.052   78.653   19.445  120.293   28.439  147.832   19.479  182.129   23.079 -34.29755 30.20051 
1 1 1  -27    9    3 o  109.511   20.172   43.854   14.726   34.211   20.036   55.181   21.716   95.927   28.264  121.327   26.595 -25.40014 38.80870 
1 1 1  -27    9    4 o  267.385   9.3477  248.938   17.299  232.781   23.840  266.907   25.140  257.388   13.429  276.038   13.159 -18.65009 18.80169 
1 1 1  -27    9    5 o  123.497   18.737   55.342   15.512   56.342   22.047   54.362   21.830  122.064   26.828  119.817   26.975 2.246849 38.04469 
1 1 1  -27    9    6 o  156.493   15.623   87.416   16.695   74.958   24.176   98.772   23.083  141.184   25.688  164.643   20.715 -23.45825 32.99979 
1 1 1  -27    9    7 o   83.512   25.532   26.201   16.126   46.959   23.054   6.3151   22.565  109.378   29.692   68.093   28.514 41.28523 41.16609 
1 1 1  -27    9    8 o   42.846   20.546 -22.4184   17.529 -26.4342   29.225 -20.1618   21.907   58.046   27.462   50.820   23.962 7.225685 36.44595 
1 1 1  -27    9    9 o   72.330   25.736   18.748   16.211   17.390   22.743   20.150   23.114   75.390   29.681   78.105   30.156 -2.715248 42.31245 
1 1 1  -27    9   10 o   30.289   15.320 -51.7235   15.875 -31.2543   22.929 -70.5690   22.001   46.774   22.691   35.477   17.954 11.29724 28.93493 
1 1 1  -27    9   11 o   69.523   27.416   16.287   19.434   12.019   23.924   24.566   33.324   69.200   29.188   82.829   34.665 -13.62865 45.31695 
1 1 1  -27    9   12 o   55.998   25.032   0.2250   19.862   0.0392   24.848   0.5537   33.056   60.897   27.543   67.624   31.036 -6.727337 41.49515 
1 1 1  -27    9   13 o   94.950   20.990   37.491   13.427   0.8576   33.293   44.607   14.674   65.605   30.476  103.680   21.165 -38.07502 37.10439 
1 1 1  -27    9   14 o   43.584   19.960  -3.4835   13.572   38.795   34.717 -11.1109   14.746   81.015   34.700   40.761   19.349 40.25314 39.73027 
1 1 1  -27    9   15 o   40.250   19.255 -11.7564   15.190   0.0000   0.0000 -11.7564   15.190  ?   ?    40.250   19.255 0.000000 19.25458 
1 1 1  -27    9   16 o   64.005   25.778   21.645   17.546   9.0683   31.251   27.434   21.203   59.017   28.060   68.131   28.001 -9.113338 39.64090 
1 1 1  -27    9   17 f   39.084   18.497  -4.7357   13.279  -5.7220   28.059  -4.4511   15.074   49.479   24.242   41.228   19.568 8.251411 31.15411 
1 1 1  -27   11    1 f  203.507   12.234  145.189   17.152  134.419   20.832  167.854   30.221  194.998   15.566  216.509   20.408 -21.51059 25.66693 
1 1 1  -27   11    2 o   64.023   24.068   11.290   14.475   25.555   19.782  -5.1481   21.236   85.418   28.516   59.322   26.236 26.09606 38.74944 
1 1 1  -27   11    3 o  227.402   9.9882  180.173   15.720  157.030   21.216  208.348   23.409  210.998   14.618  243.368   13.956 -32.37033 20.21033 
1 1 1  -27   11    4 o  305.279   8.5466  324.246   18.058  318.843   25.210  329.940   25.878  301.921   12.064  307.101   12.175 -5.179169 17.14016 
1 1 1  -27   11    5 o   57.918   23.871   4.6273   15.464   15.143   21.449  -6.7552   22.315   75.198   29.045   59.524   26.576 15.67377 39.36902 
1 1 1  -27   11    6 f   86.408   27.819   27.521   18.903 -19.8732   32.711   51.285   23.162   66.066   30.520  115.056   29.074 -48.99081 42.15219 
1 1 1  -27   11    7 o  124.044   19.332   56.692   16.056   39.166   22.061   76.432   23.413  100.065   29.703  142.004   24.721 -41.93832 38.64451 
1 1 1  -27   11    8 o  142.909   18.950   75.443   18.281   75.805   29.518   75.219   23.284  136.015   31.907  139.599   25.018 -3.584015 40.54578 
1 1 1  -27   11    9 o  140.654   17.218   73.037   16.412   82.530   23.035   63.251   23.388  145.886   23.622  124.810   27.789 21.07542 36.47201 
1 1 1  -27   11   10 o   88.764   25.798   32.318   16.794   50.174   24.680   16.918   22.919  107.097   31.316   73.530   29.516 33.56720 43.03365 
1 1 1  -27   11   11 o  132.175   27.859   74.711   24.682   74.711   24.682   0.0000   0.0000  132.175   27.859  ?   ?  0.000000 27.85942 
1 1 1  -27   11   12 o   40.963   19.997 -26.8182   18.591 -77.9024   30.064   4.8081   23.656   42.664   21.527   62.358   27.630 -19.69451 35.02595 
1 1 1  -27   11   13 o   97.807   20.650   39.652   13.540   72.439   33.359   33.185   14.815  111.246   37.026   86.784   23.904 24.46291 44.07143 
1 1 1  -27   11   14 o   72.824   23.592   24.173   13.579   64.488   33.250   16.103   14.877   98.740   36.603   62.346   24.159 36.39372 43.85703 
1 1 1  -27   11   15 o   71.519   23.991   24.851   14.003   62.341   33.519   16.924   15.412   90.556   35.911   61.507   24.364 29.04923 43.39620 
1 1 1  -27   11   16 o   52.965   22.270   10.899   13.855   13.307   31.764   10.333   15.397   60.232   28.535   53.206   22.954 7.025578 36.62127 
1 1 1  -27   11   17 o   48.878   21.313   9.1518   13.567   22.551   29.540   5.5699   15.273   58.661   27.709   47.095   21.416 11.56683 35.02058 
1 1 1  -27   13    1 o   80.417   25.605   23.119   16.048   35.198   19.942   0.9215   27.034   97.106   28.080   70.974   30.516 26.13176 41.46971 
1 1 1  -27   13    2 o  138.271   15.743   68.104   14.798   69.312   20.513   66.795   21.367  137.626   22.298  134.563   23.814 3.062180 32.62394 
1 1 1  -27   13    3 o   43.338   20.052 -11.0745   14.201 -31.7796   19.525   12.180   20.692   43.087   20.911   71.959   28.317 -28.87249 35.20116 
1 1 1  -27   13    4 o   86.361   24.441   27.773   15.266   25.992   21.113   29.726   22.101   86.203   29.456   90.823   30.133 -4.620506 42.13834 
1 1 1  -27   13    5 o  329.941   8.3643  379.020   19.100  353.545   26.069  408.545   28.065  317.688   11.856  341.500   11.874 -23.81223 16.77988 
1 1 1  -27   13    6 o  125.731   19.143   57.880   16.132   59.712   22.280   55.862   23.390  124.895   26.591  119.976   28.576 4.918839 39.03428 
1 1 1  -27   13    7 o  131.757   20.448   64.438   18.043   25.971   27.891   92.119   23.660   88.101   33.344  157.036   22.404 -68.93530 40.17129 
1 1 1  -27   13    8 o  159.609   15.212   92.052   16.601   86.488   23.038   98.062   23.942  150.861   22.774  161.228   22.033 -10.36713 31.68723 
1 1 1  -27   13    9 o   93.474   24.540   34.920   16.078   41.846   22.966   28.264   22.515   99.833   30.460   85.023   30.321 14.80983 42.97876 
1 1 1  -27   13   10 o  119.085   21.021   55.229   16.692   50.683   24.009   59.483   23.224  107.576   30.722  118.326   28.661 -10.74979 42.01533 
1 1 1  -27   13   11 o   57.080   26.571 -10.6724   25.520 -10.6724   25.520   0.0000   0.0000   57.080   26.571  ?   ?  0.000000 26.57104 
1 1 1  -27   13   12 o   33.728   16.469 -19.9596   12.631 -20.0146   31.323 -19.9489   13.803   57.719   27.622   35.883   17.453 21.83635 32.67367 
1 1 1  -27   13   13 o   39.387   18.502  -8.9237   12.846   42.634   32.488 -18.4776   13.985   86.985   35.062   36.412   17.677 50.57334 39.26655 
1 1 1  -27   13   14 o   46.736   20.737   1.4602   13.370 -45.7268   29.447   13.713   15.006   46.178   23.012   59.556   23.891 -13.37748 33.17148 
1 1 1  -27   13   15 o   59.698   25.360   14.507   18.268   25.615   28.397   6.6645   23.860   68.691   30.362   57.278   26.317 11.41366 40.18011 
1 1 1  -27   13   16 o   52.981   22.794   10.602   15.099   0.0000   0.0000   10.602   15.099  ?   ?    52.981   22.794 0.000000 22.79354 
1 1 1  -27   13   17 o   58.073   22.946   18.843   13.639 -15.3366   28.943   28.599   15.463   46.598   23.155   67.817   24.996 -21.21980 34.07249 
1 1 1  -27   15    1 o  320.086   9.2565  356.696   20.506  321.378   24.875  431.610   36.228  303.245   11.852  350.413   14.938 -47.16815 19.06853 
1 1 1  -27   15    2 o  220.703   10.552  169.926   16.118  160.241   22.180  180.761   23.461  212.908   15.151  226.214   15.071 -13.30672 21.37027 
1 1 1  -27   15    3 o   67.238   24.482   13.841   14.770   45.832   20.436 -21.1426   21.370  109.963   27.040   50.496   23.765 59.46769 35.99948 
1 1 1  -27   15    4 o  138.208   16.971   68.619   15.893   38.592   22.182  100.291   22.782  100.774   29.752  166.343   20.203 -65.56928 35.96309 
1 1 1  -27   15    5 o   65.429   26.378   8.6124   18.390  -3.1210   32.441   14.169   22.324   73.761   32.535   74.784   29.417 -1.022728 43.86226 
1 1 1  -27   15    6 o  138.432   16.718   69.260   15.693   37.308   20.941  110.186   23.701   98.099   28.893  173.590   20.099 -75.49126 35.19620 
1 1 1  -27   15    7 o   62.464   25.437   7.8267   17.298   0.7522   26.912   12.807   22.581   68.479   29.935   72.551   29.236 -4.071594 41.84277 
1 1 1  -27   15    8 o   99.633   23.019   38.657   15.554   61.314   21.500   13.774   22.531  124.612   25.779   72.347   29.186 52.26506 38.94046 
1 1 1  -27   15    9 o  163.794   14.970   97.752   16.782  113.337   24.149   83.195   23.340  172.778   20.601  145.490   24.016 27.28755 31.64132 
1 1 1  -27   15   10 f   86.965   25.472   31.312   16.316   39.237   23.420   23.837   22.744   94.514   31.003   78.835   30.044 15.67906 43.17197 
1 1 1  -27   15   11 o   47.416   20.789   0.2179   13.066   32.024   30.538  -6.9105   14.457   85.495   34.158   44.345   20.416 41.15048 39.79404 
1 1 1  -27   15   12 o   64.890   23.136   16.783   13.108   38.493   29.440   11.415   14.639   87.475   33.961   59.305   23.665 28.17009 41.39286 
1 1 1  -27   15   13 o   38.573   18.271 -10.6040   13.010   18.049   31.892 -16.3245   14.250   71.398   31.832   37.728   18.200 33.66947 36.66741 
1 1 1  -27   15   14 o   51.334   21.589   7.2436   13.026   10.585   28.324   6.3472   14.670   63.449   28.973   52.042   22.428 11.40679 36.63979 
1 1 1  -27   15   15 o   32.178   15.907 -22.1410   13.011 -35.0976   26.293 -17.9394   14.973   44.229   21.993   36.840   17.976 7.389011 28.40466 
1 1 1  -27   15   16 o   66.702   25.024   24.730   15.633   0.0000   0.0000   24.730   15.633  ?   ?    66.702   25.024 0.000000 25.02398 
1 1 1  -27   17    1 o  199.410   13.000  139.936   17.844  131.959   22.026  155.171   30.437  192.576   16.691  207.146   21.545 -14.56955 27.25409 
1 1 1  -27   17    2 o  204.248   11.235  146.214   15.821  157.551   22.152  134.409   22.605  210.938   15.277  194.213   16.988 16.72438 22.84642 
1 1 1  -27   17    3 o  301.449   8.5895  316.385   17.921  279.444   24.705  357.414   26.036  282.309   12.644  319.551   11.772 -37.24170 17.27564 
1 1 1  -27   17    4 o  237.262   10.430  196.726   17.128  185.188   23.876  208.958   24.584  228.484   15.185  242.947   14.689 -14.46301 21.12708 
1 1 1  -27   17    5 o  232.659   12.074  190.620   19.376  194.207   23.850  183.658   33.228  233.831   14.814  224.111   21.694 9.719711 26.26933 
1 1 1  -27   17    6 o   59.213   23.801   7.3531   14.925   13.993   20.637   0.0719   21.610   72.145   28.315   62.070   26.984 10.07479 39.11373 
1 1 1  -27   17    7 o  140.489   16.699   71.982   15.919   44.139   23.438   95.827   21.690  104.284   30.525  160.744   19.923 -56.45966 36.45132 
1 1 1  -27   17    8 o  212.190   11.368  159.854   16.634  170.802   23.240  148.354   23.819  216.991   15.578  201.097   17.281 15.89467 23.26649 
1 1 1  -27   17    9 o   59.937   24.362   8.5802   15.829   18.121   23.055   0.0729   21.771   74.869   29.753   60.150   26.585 14.71894 39.90051 
1 1 1  -27   17   10 o   84.067   30.326   29.780   22.587   75.756   30.971 -22.4537   33.012  127.160   34.371   60.510   28.790 66.64973 44.83582 
1 1 1  -27   17   11 o   66.240   22.289   17.408   12.087   12.907   31.112   18.208   13.117   72.808   31.997   67.609   23.215 5.199150 39.53164 
1 1 1  -27   17   12 o   95.807   21.210   38.055   13.693   63.415   29.567   31.131   15.449  108.793   34.767   83.969   24.841 24.82375 42.72963 
1 1 1  -27   17   13 o   64.514   22.781   17.661   12.679   6.0341   28.848   20.445   14.116   63.518   29.093   68.238   24.043 -4.719635 37.74258 
1 1 1  -27   17   14 o   50.569   23.874  -6.8279   21.879   11.946   29.683 -29.1610   32.375   64.051   29.401   51.775   25.499 12.27591 38.91861 
1 1 1  -27   17   15 o   32.635   16.103 -21.0812   13.113 -50.9268   26.559 -11.4607   15.079   40.841   20.560   39.666   19.030 1.174625 28.01563 
1 1 1  -27   17   16 o   63.060   23.732   21.332   14.081 -19.2293   36.993   28.205   15.227   51.558   25.709   70.594   24.961 -19.03637 35.83315 
1 1 1  -27   19    1 o   69.856   24.833   15.784   15.090   23.227   21.183   8.1149   21.501   83.088   29.434   69.044   28.266 14.04353 40.80861 
1 1 1  -27   19    2 o  190.101   14.276  127.902   18.646  105.073   30.951  140.908   23.361  167.074   27.740  198.631   17.161 -31.55774 32.61901 
1 1 1  -27   19    3 f  257.696   9.6331  231.743   17.181  233.807   24.105  229.611   24.495  257.444   13.577  254.989   13.932 2.454315 19.45347 
1 1 1  -27   19    4 o  187.362   12.700  123.977   16.372  119.233   22.475  129.340   23.897  181.859   18.096  189.320   18.473 -7.460144 25.86003 
1 1 1  -27   19    5 o   51.399   22.304  -0.7358   14.709 -20.1164   19.517   24.747   22.380   47.466   22.452   84.232   30.210 -36.76649 37.63916 
1 1 1  -27   19    6 o   51.395   23.058  -5.4049   17.015   33.932   27.432 -30.0012   21.692   94.491   33.493   46.471   22.426 48.02013 40.30776 
1 1 1  -27   19    7 o   48.783   21.724  -3.4736   14.808   8.9231   21.242 -15.1923   20.653   67.252   27.871   50.946   23.778 16.30611 36.63597 
1 1 1  -27   19    8 o   79.059   25.330   24.511   15.687   10.876   22.591   37.209   21.800   69.238   28.722   94.656   29.811 -25.41840 41.39631 
1 1 1  -27   19    9 o   46.919   21.391  -6.2797   15.361 -16.6259   21.153   5.2623   22.342   49.939   23.546   63.888   27.606 -13.94857 36.28329 
1 1 1  -27   19   10 o   75.224   22.115   22.875   12.278   41.195   28.799   18.805   13.574   93.969   34.191   69.186   23.619 24.78360 41.55535 
1 1 1  -27   19   11 o   66.000   22.201   17.436   11.992 -11.2341   30.105   22.844   13.074   60.201   28.293   74.036   23.049 -13.83537 36.49334 
1 1 1  -27   19   12 o   65.331   23.551   17.477   13.619   23.254   29.386   15.897   15.369   75.064   32.032   64.022   24.626 11.04189 40.40415 
1 1 1  -27   19   13 o   88.335   20.751   33.351   12.471   39.605   30.156   32.061   13.697   82.713   33.624   84.799   22.831 -2.085754 40.64248 
1 1 1  -27   19   14 o   54.451   22.602   10.181   14.002   28.820   32.187   5.8304   15.550   71.922   32.029   51.816   22.700 20.10650 39.25714 
1 1 1  -27   19   15 o   44.693   20.348   0.3398   13.838 -32.7659   30.233   9.1137   15.564   47.189   23.484   52.881   22.945 -5.691792 32.83218 
1 1 1  -27   19   16 o   39.710   18.881  -6.1391   14.151 -41.8439   33.023   1.8920   15.662   44.996   22.687   45.814   21.148 -0.8174744 31.01512 
1 1 1  -27   21    1 o  140.928   15.942   71.149   15.276   35.780   21.444  107.586   21.766   97.067   29.393  172.756   18.491 -75.68902 34.72539 
1 1 1  -27   21    2 o   47.464   21.516  -7.5228   15.262 -30.2598   21.113   17.361   22.087   45.996   22.179   77.474   29.588 -31.47762 36.97781 
1 1 1  -27   21    3 o  182.923   13.310  118.457   16.735  112.643   23.904  124.046   23.438  175.903   19.989  185.312   18.522 -9.409271 27.25140 
1 1 1  -27   21    4 o   57.186   23.688   4.5866   15.334  -9.5223   20.916   20.982   22.547   55.218   25.092   80.666   30.094 -25.44838 39.18190 
1 1 1  -27   21    5 o  223.235   10.404  174.864   16.075  168.635   21.651  182.514   23.995  217.388   14.473  225.721   15.453 -8.333572 21.17182 
1 1 1  -27   21    6 o  140.779   18.479   73.137   17.570  102.293   29.086   56.385   22.047  161.820   26.916  119.116   27.323 42.70438 38.35384 
1 1 1  -27   21    7 o   39.252   18.730 -16.6154   14.186 -25.5092   19.775  -7.1868   20.361   44.769   21.558   54.599   24.790 -9.830189 32.85190 
1 1 1  -27   21    8 o   56.315   23.611   5.0801   15.503   24.150   22.316 -12.7071   21.552   80.176   29.934   52.693   24.492 27.48328 38.67654 
1 1 1  -27   21    9 o   94.604   20.917   35.379   13.332   21.820   29.805   38.771   14.906   80.217   33.110   98.312   22.406 -18.09556 39.97846 
1 1 1  -27   21   10 o   88.832   20.395   31.599   12.274   30.307   30.155   31.856   13.438   84.284   33.848   88.276   22.057 -3.991882 40.40031 
1 1 1  -27   21   11 o   38.466   18.010  -8.7009   12.003   36.356   27.941 -18.8972   13.292   86.326   33.204   35.395   17.195 50.93027 37.39262 
1 1 1  -27   21   12 o   67.594   23.245   19.467   13.153 -14.9463   29.515   27.995   14.693   56.287   26.903   79.100   24.403 -22.81243 36.32146 
1 1 1  -27   21   13 o   77.576   26.903   29.663   17.637   30.966   30.390   29.002   21.657   75.901   32.487   75.373   29.166 0.5282288 43.65809 
1 1 1  -27   21   14 o   48.003   21.056   4.0723   13.417   20.015   30.186   0.1476   14.978   66.442   30.173   46.725   21.233 19.71716 36.89526 
1 1 1  -27   21   15 o   61.382   27.091   18.602   22.526   13.185   30.358   25.239   33.603   60.125   28.306   65.202   30.398 -5.076656 41.53608 
1 1 1  -27   21   16 o   70.548   25.657   30.668   16.214   68.829   32.581   18.105   18.693   80.602   34.034   57.281   24.996 23.32114 42.22693 
1 1 1  -27   23    1 o  164.488   13.416   95.960   15.141   54.927   20.997  140.405   21.853  119.846   26.057  198.210   16.068 -78.36450 30.61299 
1 1 1  -27   23    2 o   47.673   21.601  -7.2668   15.363  -0.9986   21.563 -13.7294   21.895   61.613   26.868   54.449   25.089 7.163704 36.76051 
1 1 1  -27   23    3 o  255.278   11.532  228.984   20.374  234.439   34.181  225.978   25.375  254.044   19.591  252.055   14.608 1.989212 24.43832 
1 1 1  -27   23    4 o   81.144   24.326   24.989   14.742   27.918   20.160   21.622   21.613   86.215   28.787   80.123   29.548 6.091438 41.25290 
1 1 1  -27   23    5 o   52.532   23.185  -2.4401   16.498   8.0195   24.780 -10.7687   22.112   70.664   29.750   55.620   25.474 15.04443 39.16643 
1 1 1  -27   23    6 o   42.930   19.930 -10.3017   14.202   9.2206   19.415 -32.7712   20.829   65.406   26.828   43.770   21.323 21.63583 34.26941 
1 1 1  -27   23    7 o  125.955   17.346   59.013   14.720   53.029   20.162   65.844   21.542  114.585   26.017  128.644   25.096 -14.05932 36.14820 
1 1 1  -27   23    8 o   38.031   17.880 -10.7416   12.040 -35.1122   26.076  -4.1372   13.574   49.396   24.017   45.453   20.476 3.942867 31.56075 
1 1 1  -27   23    9 o   41.677   19.014  -5.3306   12.163   40.644   29.352 -14.8607   13.364   93.834   34.460   37.988   18.142 55.84604 38.94392 
1 1 1  -27   23   10 o   43.348   19.449  -2.5521   12.108   13.834   29.828  -5.7850   13.249   72.492   31.607   42.905   19.675 29.58743 37.23034 
1 1 1  -27   23   11 o   49.770   20.678   5.4784   11.735  -0.9820   29.244   6.7185   12.812   62.707   28.930   52.384   21.672 10.32261 36.14691 
1 1 1  -27   23   12 o   56.156   22.305   10.858   12.950   24.868   29.588   7.5389   14.402   74.284   31.932   53.961   22.698 20.32307 39.17685 
1 1 1  -27   23   13 o   45.249   20.299   0.1476   13.184 -17.2976   29.803   4.3921   14.700   53.505   25.937   50.405   22.077 3.100224 34.05991 
1 1 1  -27   23   14 o   45.847   20.312   2.7026   12.783  -1.2283   28.850   3.6628   14.259   56.231   26.798   48.192   21.397 8.038998 34.29268 
1 1 1  -27   23   15 o   36.469   17.701 -13.6990   14.001 -33.1122   29.651  -8.1286   15.883   45.718   22.832   41.441   19.787 4.277775 30.21277 
1 1 1  -27   25    1 o  153.743   14.394   84.487   15.138   65.870   21.122  104.150   21.707  131.831   24.035  169.022   18.878 -37.19099 30.56287 
1 1 1  -27   25    2 o   71.141   26.693   15.647   17.789  -4.8205   30.242   26.476   21.997   69.373   30.958   85.502   30.023 -16.12859 43.12541 
1 1 1  -27   25    3 o  167.521   16.128  101.289   18.469  107.173   22.616   89.512   31.998  170.795   19.480  148.892   32.004 21.90283 37.46648 
1 1 1  -27   25    4 o  174.468   13.213  108.604   15.837  107.902   22.065  109.350   22.744  171.253   18.933  172.143   19.430 -0.8908997 27.12838 
1 1 1  -27   25    5 f  142.682   16.877   74.629   16.343   21.805   26.383  107.522   20.819   81.906   32.052  171.041   17.849 -89.13502 36.68700 
1 1 1  -27   25    6 o  109.185   20.169   45.507   14.680   33.752   19.743   60.040   21.953   91.051   28.320  121.942   26.747 -30.89117 38.95438 
1 1 1  -27   25    7 o   96.885   19.865   36.261   12.874   3.1268   27.125   45.895   14.626   67.594   29.786  109.181   20.096 -41.58627 35.93070 
1 1 1  -27   25    8 o  114.247   18.464   49.897   14.102   74.732   29.296   42.407   16.088  128.479   32.825  102.420   23.230 26.05861 40.21386 
1 1 1  -27   25    9 o  185.578   10.428  123.270   13.339  140.488   28.964  118.635   15.028  187.125   22.838  181.037   12.063 6.088455 25.82747 
1 1 1  -27   25   10 o   68.713   22.289   19.332   12.118   57.415   27.154   9.8617   13.541  107.152   33.194   56.960   22.750 50.19215 40.24166 
1 1 1  -27   25   11 o   34.426   16.580 -14.2342   11.710 -35.2488   29.693 -10.3634   12.743   50.545   24.799   38.476   18.182 12.06908 30.75038 
1 1 1  -27   25   12 o   79.325   29.740   32.358   22.073   8.2293   30.794   57.854   31.655   64.981   29.872   96.021   35.690 -31.04000 46.54158 
1 1 1  -27   25   13 o   51.937   21.371   8.7731   12.369  -3.5332   26.916   12.068   13.927   55.653   26.337   56.485   22.890 -0.8320885 34.89434 
1 1 1  -27   25   14 o   67.820   23.375   22.701   13.305 -21.4146   28.160   35.379   15.096   48.807   23.988   83.691   24.498 -34.88387 34.28643 
1 1 1  -27   25   15 f   40.415   19.207  -6.4386   14.611 -24.4976   26.628   1.3400   17.476   44.985   22.329   47.383   22.034 -2.398071 31.36997 
1 1 1  -27   27    1 o   69.637   24.879   16.488   15.165   9.9329   21.103   23.488   21.806   68.580   28.031   81.785   29.752 -13.20533 40.87714 
1 1 1  -27   27    2 o  192.788   14.041  132.898   18.606  136.852   22.645  124.683   32.643  194.210   17.019  179.167   27.177 15.04230 32.06583 
1 1 1  -27   27    3 o   98.885   22.328   37.659   14.920   32.309   20.108   44.212   22.253   90.510   28.645  104.449   29.490 -13.93881 41.11209 
1 1 1  -27   27    4 o  178.798   14.681  115.309   18.007  110.634   28.310  118.485   23.335  168.944   24.964  178.782   19.157 -9.837387 31.46704 
1 1 1  -27   27    5 o  127.887   16.826   60.421   14.532   63.980   20.423   56.771   20.682  127.788   23.972  119.114   25.831 8.674202 35.24052 
1 1 1  -27   27    6 o   62.193   22.686   13.185   12.690   30.156   25.956   7.8543   14.547   87.094   32.329   57.839   23.410 29.25537 39.91471 
1 1 1  -27   27    7 o  176.674   11.404  111.761   13.870   92.780   28.613  117.591   15.858  148.318   28.912  180.479   12.778 -32.16096 31.60988 
1 1 1  -27   27    8 o  127.461   16.757   61.274   14.424   44.820   27.590   67.463   16.921   97.774   33.663  132.332   19.021 -34.55778 38.66562 
1 1 1  -27   27    9 o   83.982   21.355   28.849   12.441   4.1585   28.435   34.694   13.835   66.256   29.760   91.840   22.045 -25.58450 37.03614 
1 1 1  -27   27   10 o   39.547   18.247  -5.9451   11.640  -2.2361   27.497  -6.7549   12.848   60.959   28.098   41.147   19.051 19.81169 33.94759 
1 1 1  -27   27   11 o   65.432   22.378   18.055   12.185  -9.1805   27.902   24.473   13.545   56.871   26.884   74.454   23.504 -17.58263 35.70974 
1 1 1  -27   27   12 o   94.676   21.915   39.381   14.076   19.468   27.573   46.400   16.370   68.531   30.120  101.073   23.795 -32.54185 38.38493 
1 1 1  -27   27   13 o   47.859   20.637   5.0437   12.433   24.698   25.018  -1.4024   14.328   68.721   29.446   44.936   20.553 23.78412 35.91008 
1 1 1  -27   27   14 o  103.354   22.068   50.111   15.306   0.0000   0.0000   50.111   15.306  ?   ?   103.354   22.068 0.000000 22.06830 
1 1 1  -27   27   15 o   59.360   23.075   18.785   13.605   29.024   27.091   15.331   15.733   63.310   28.685   55.556   23.565 7.753456 37.12336 
1 1 1  -27   29    1 o   51.377   22.352  -0.3128   14.848 -13.5759   21.158   12.555   20.841   52.533   24.366   69.970   28.125 -17.43654 37.21191 
1 1 1  -27   29    2 o  143.825   15.593   75.231   15.273   88.070   21.274   61.575   21.941  153.149   20.593  124.624   26.265 28.52456 33.37556 
1 1 1  -27   29    3 o  138.303   15.896   69.909   14.939   82.930   20.154   54.032   22.256  148.544   20.122  115.149   28.160 33.39449 34.60988 
1 1 1  -27   29    4 o  128.965   18.717   62.380   16.219   38.434   25.071   79.613   21.268   95.887   32.102  143.968   22.047 -48.08084 38.94352 
1 1 1  -27   29    5 f   45.362   21.002  -9.7900   15.614 -22.9415   24.564  -0.8733   20.227   52.136   24.814   57.820   25.587 -5.684105 35.64301 
1 1 1  -27   29    6 o   58.349   23.060   9.4776   13.777   35.254   27.080   0.4760   16.003   90.870   33.141   52.771   23.075 38.09906 40.38276 
1 1 1  -27   29    7 o   90.164   22.764   33.039   14.208   40.346   27.068   30.260   16.692   94.158   33.281   84.984   25.976 9.174583 42.21816 
1 1 1  -27   29    8 o  138.476   13.547   70.519   12.817  128.342   29.820   57.415   14.195  175.903   25.215  122.668   17.192 53.23479 30.51842 
1 1 1  -27   29    9 o   62.085   22.419   14.750   12.348   32.371   26.138   9.6871   14.010   83.413   32.106   57.171   23.032 26.24225 39.51319 
1 1 1  -27   29   10 o   86.858   20.593   31.372   12.191 -12.1561   26.860   42.665   13.681   55.468   26.267  102.138   20.069 -46.66996 33.05685 
1 1 1  -27   29   11 o   39.458   19.535 -33.6025   19.892 -10.4927   27.994 -57.1707   28.270   55.745   26.520   43.244   21.697 12.50045 34.26433 
1 1 1  -27   29   12 o   50.058   21.288   6.2448   12.899   0.5517   26.568   8.0006   14.754   57.524   26.889   53.366   22.733 4.158173 35.21101 
1 1 1  -27   29   13 o   53.907   21.971   11.100   12.918   31.488   27.656   5.4107   14.610   71.608   30.828   49.840   21.914 21.76799 37.82310 
1 1 1  -27   29   14 o   51.928   23.208   8.0141   17.064   6.6146   32.191   8.5610   20.124   57.364   27.594   53.834   24.520 3.530476 36.91438 
1 1 1  -27   29   15 o   34.457   16.864 -14.3367   13.472   1.2634   28.291 -18.9120   15.321   50.960   24.831   35.107   17.337 15.85349 30.28487 
1 1 1  -27   31    1 o   52.006   23.192  -3.3242   16.941   13.955   20.526 -40.2488   30.006   70.242   28.024   53.287   25.876 16.95480 38.14301 
1 1 1  -27   31    2 o  148.958   17.176   81.970   17.383   83.554   21.214   78.732   30.329  147.988   21.327  135.461   32.717 12.52756 39.05479 
1 1 1  -27   31    3 o   38.572   19.215 -47.0977   20.455   0.0000   0.0000 -47.0977   20.455  ?   ?    38.572   19.215 0.000000 19.21527 
1 1 1  -27   31    4 o   53.054   22.906   1.6494   15.357 -30.3854   23.976   23.935   19.998   48.497   23.447   78.921   28.526 -30.42427 36.92525 
1 1 1  -27   31    5 o   55.180   22.132   7.6057   12.874  -0.6244   26.273   10.206   14.768   64.130   28.720   60.176   23.845 3.954319 37.32877 
1 1 1  -27   31    6 o   61.926   22.775   13.478   12.827   24.995   27.285   10.211   14.533   81.053   32.319   59.533   23.635 21.52054 40.03845 
1 1 1  -27   31    7 o  143.458   15.204   76.620   14.866   25.434   28.727   95.339   17.373   80.588   32.795  159.627   15.938 -79.03921 36.46273 
1 1 1  -27   31    8 o   66.862   22.603   17.945   12.430   12.098   26.712   19.562   14.044   69.234   30.050   69.380   24.010 -0.1464157 38.46376 
1 1 1  -27   31    9 o  110.807   17.290   47.904   12.827   64.634   27.586   43.290   14.488  112.368   33.181  102.465   21.131 9.902832 39.33806 
1 1 1  -27   31   10 o   40.283   18.501  -4.6451   11.774 -62.9268   27.159   8.8429   13.065   41.334   20.806   54.187   22.092 -12.85270 30.34695 
1 1 1  -27   31   11 o   36.831   17.702 -13.6174   13.178 -12.6439   27.115 -13.9184   15.078   53.533   25.639   39.706   19.044 13.82635 31.93842 
1 1 1  -27   31   12 o   53.445   21.688   10.283   12.521   28.722   26.645   5.0566   14.185   71.783   30.564   49.801   21.752 21.98204 37.51429 
1 1 1  -27   31   13 o   59.373   23.739   16.298   14.761   0.0000   0.0000   16.298   14.761  ?   ?    59.373   23.739 0.000000 23.73874 
1 1 1  -27   31   14 o   41.768   19.371  -1.4762   13.368   17.937   29.508  -6.4889   14.994   59.391   27.944   40.748   19.392 18.64354 34.01348 
1 1 1  -27   33    1 o   74.229   24.757   21.316   14.911   11.301   21.569   30.485   20.638   68.184   28.156   86.399   29.125 -18.21523 40.50967 
1 1 1  -27   33    2 o   44.883   21.037 -12.9241   16.451 -18.0380   19.663  -0.9912   30.036   47.355   22.440   68.005   30.563 -20.65024 37.91642 
1 1 1  -27   33    3 o   79.423   27.946   24.977   19.064   20.639   25.134   30.854   29.255   77.844   31.025   87.775   33.916 -9.931236 45.96604 
1 1 1  -27   33    4 o  153.278   13.811   85.621   14.494   48.717   25.712  102.810   17.548  104.081   32.310  167.106   15.344 -63.02505 35.76859 
1 1 1  -27   33    5 o   92.673   19.904   33.758   12.386   78.049   25.473   20.045   14.174  135.414   28.100   71.308   24.136 64.10670 37.04279 
1 1 1  -27   33    6 o   29.716   14.908 -35.5912   13.328 -42.7610   25.844 -32.9936   15.556   46.030   22.692   34.392   17.070 11.63832 28.39571 
1 1 1  -27   33    7 o   47.612   20.439   2.3417   12.092   3.2478   27.347   2.1214   13.482   64.799   29.139   49.450   21.406 15.34904 36.15615 
1 1 1  -27   33    8 o   37.627   17.787 -10.5969   12.213   9.9512   25.450 -16.7448   13.921   66.146   29.007   37.456   18.049 28.68940 34.16402 
1 1 1  -27   33    9 f   43.359   19.435  -1.4897   12.060 -19.7415   25.719   3.6543   13.654   51.303   24.675   50.021   21.597 1.282619 32.79166 
1 1 1  -27   33   10 o  101.263   28.054   50.323   20.338   26.093   28.407   75.805   29.132   73.974   31.529  116.221   34.035 -42.24675 46.39466 
1 1 1  -27   33   11 o   61.350   22.814   16.273   12.937   20.790   27.129   14.943   14.718   68.126   29.911   60.207   23.821 7.919041 38.23760 
1 1 1  -27   33   12 o   59.660   22.784   15.930   13.097  -3.6054   26.660   22.145   15.036   54.175   25.803   66.931   24.651 -12.75595 35.68564 
1 1 1  -27   33   13 o   69.035   25.479   26.263   16.077   11.820   28.794   32.805   19.379   58.835   27.658   73.521   27.801 -14.68668 39.21532 
1 1 1  -27   33   14 o   56.873   22.219   16.728   12.663   37.405   24.619   9.2900   14.766   68.695   29.317   49.891   21.981 18.80441 36.64227 
1 1 1  -27   35    1 o   83.300   23.971   28.192   14.564   17.885   20.346   39.024   20.858   72.239   28.181   95.310   29.016 -23.07021 40.44877 
1 1 1  -27   35    2 o   56.175   23.725   5.0591   15.838 -20.7268   25.373   21.520   20.273   53.375   25.350   75.582   28.469 -22.20720 38.11970 
1 1 1  -27   35    3 o  122.861   16.798   56.778   13.910   65.024   25.343   53.223   16.640  121.586   30.241  116.066   21.507 5.519882 37.10900 
1 1 1  -27   35    4 o  109.124   19.232   46.262   13.994   27.883   26.119   53.662   16.574   82.505   32.000  116.299   21.379 -33.79430 38.48460 
1 1 1  -27   35    5 o  119.748   17.924   55.087   14.399   65.756   26.813   50.763   17.069  118.948   31.909  111.530   22.880 7.418114 39.26411 
1 1 1  -27   35    6 o   50.047   24.114 -24.5805   24.838 -24.5805   24.838   0.0000   0.0000   50.047   24.114  ?   ?  0.000000 24.11414 
1 1 1  -27   35    7 o   93.049   22.369   36.298   14.228   41.156   27.213   34.470   16.690   90.477   33.188   88.237   25.739 2.239838 41.99934 
1 1 1  -27   35    8 o  112.816   18.740   50.865   14.119   59.463   27.098   47.661   16.542  106.304   33.197  105.342   23.306 0.9613266 40.56158 
1 1 1  -27   35    9 o   44.674   20.179  -1.7810   13.286 -21.3366   25.968   5.1536   15.464   50.367   24.364   52.854   22.902 -2.487423 33.43771 
1 1 1  -27   35   10 o   38.097   18.135 -10.9012   13.131  -4.9220   26.363 -12.8740   15.143   55.695   26.268   40.211   19.233 15.48368 32.55618 
1 1 1  -27   35   11 o   39.620   18.439  -5.2223   12.277   4.6083   25.743  -8.1166   13.968   57.896   26.862   40.401   19.075 17.49561 32.94530 
1 1 1  -27   35   12 o   37.502   17.897  -9.5221   12.957 -56.9756   28.213   3.1622   14.586   41.009   20.712   47.607   21.354 -6.597862 29.74844 
1 1 1  -27   35   13 o   39.938   18.413  -1.5707   11.816  -1.0678   26.125  -1.7000   13.249   51.636   24.843   41.619   19.296 10.01675 31.45677 
1 1 1  -27   37    1 o  119.110   15.528   52.986   12.496   21.873   26.819   61.615   14.123   77.926   31.697  128.105   16.298 -50.17925 35.64154 
1 1 1  -27   37    2 o   49.559   22.179  -2.2904   15.639  -9.1268   25.233   1.9733   19.927   57.620   26.684   58.040   25.555 -0.4192619 36.94739 
1 1 1  -27   37    3 o   55.425   21.458   9.5000   11.728   9.5561   25.174   9.4844   13.254   67.720   29.282   56.980   22.586 10.74024 36.98097 
1 1 1  -27   37    4 o   37.521   17.713 -10.7877   12.039 -31.0976   25.677  -5.0646   13.630   49.040   23.842   44.147   20.136 4.893078 31.20698 
1 1 1  -27   37    5 o   80.295   24.452   27.501   14.810   22.161   24.306   30.654   18.678   75.186   30.320   83.098   27.708 -7.911873 41.07346 
1 1 1  -27   37    6 o   49.090   21.527   1.3062   14.015 -38.4537   26.176   17.285   16.594   46.709   22.990   66.861   25.619 -20.15170 34.42199 
1 1 1  -27   37    7 o  141.835   15.818   77.007   15.264  105.512   28.580   65.632   18.054  152.108   28.186  126.026   21.468 26.08186 35.43060 
1 1 1  -27   37    8 o   36.783   17.698 -14.7587   13.259  -9.4341   26.175 -16.5965   15.378   55.156   26.062   39.390   18.978 15.76677 32.23989 
1 1 1  -27   37    9 o   80.336   28.317   32.821   19.582   45.863   26.537   17.229   29.014   88.788   32.742   68.095   30.361 20.69247 44.65192 
1 1 1  -27   37   10 o   55.007   21.971   11.348   12.631   51.463   25.431  -1.7886   14.553   92.198   32.287   45.331   20.726 46.86752 38.36677 
1 1 1  -27   37   11 o   33.483   16.289 -15.0181   12.038 -72.6829   26.718  -0.3305   13.484   37.497   19.058   44.271   20.129 -6.774147 27.71954 
1 1 1  -27   37   12 o   70.546   30.784   35.805   28.349   35.805   28.349   0.0000   0.0000   70.546   30.784  ?   ?  0.000000 30.78376 
1 1 1  -27   37   13 o   94.637   19.694   41.918   12.479   72.732   24.963   31.650   14.409   99.909   31.947   74.782   24.308 25.12657 40.14355 
1 1 1  -27   39    1 o   65.146   25.086   15.124   15.962   9.6195   23.984   19.501   21.386   66.324   28.630   72.357   28.688 -6.032959 40.52981 
1 1 1  -27   39    2 o   95.803   18.476   35.983   11.807   23.468   25.286   39.472   13.352   77.035   30.974   99.439   20.091 -22.40466 36.91982 
1 1 1  -27   39    3 o   53.981   21.268   8.7228   11.686   29.439   24.886   2.8620   13.237   81.523   31.341   49.710   21.363 31.81284 37.92954 
1 1 1  -27   39    4 o   88.251   20.217   31.615   12.083   29.620   24.631   32.247   13.867   81.014   31.172   87.578   22.693 -6.564026 38.55702 
1 1 1  -27   39    5 o   58.632   22.407   12.208   12.673   27.302   24.207   6.5102   14.873   78.113   30.663   54.567   23.015 23.54595 38.33957 
1 1 1  -27   39    6 o   63.089   22.413   16.060   12.291  -0.2896   25.030   21.254   14.109   59.186   27.106   70.371   24.079 -11.18534 36.25655 
1 1 1  -27   39    7 o   48.931   22.216  -1.7786   16.351  -2.7239   25.256  -1.0965   21.455   57.350   26.608   54.840   25.108 2.510735 36.58370 
1 1 1  -27   39    8 o   85.578   22.692   32.644   13.659   38.995   26.078   30.243   16.035   83.389   32.078   79.793   25.614 3.596443 41.04963 
1 1 1  -27   39    9 o   48.279   20.938   4.2602   12.948   19.424   24.068  -1.9164   15.361   66.647   28.725   46.424   21.251 20.22287 35.73146 
1 1 1  -27   39   10 o   44.827   20.060   1.2050   12.791   6.3854   26.225  -0.4119   14.651   58.454   27.118   45.862   20.902 12.59199 34.23826 
1 1 1  -27   39   11 o   39.345   18.300  -4.0183   12.065   18.288   28.000  -9.1046   13.370   62.523   28.647   38.215   18.221 24.30850 33.95062 
1 1 1  -27   39   12 f   40.001   18.521  -1.9696   12.148  -9.3659   26.185   0.0589   13.714   48.738   23.779   43.180   19.881 5.558846 30.99546 
1 1 1  -27   41    1 o  131.927   18.425   68.058   16.364   38.351   24.609   91.607   21.910   88.978   31.703  150.182   21.709 -61.20380 38.42374 
1 1 1  -27   41    2 o   48.817   20.495   4.4307   11.706  -4.9024   23.542   7.4964   13.492   56.381   25.992   54.197   22.313 2.184681 34.25566 
1 1 1  -27   41    3 o   66.090   21.865   17.865   11.639   40.400   24.916   11.575   13.164   90.100   31.922   58.229   22.681 31.87083 39.15887 
1 1 1  -27   41    4 o   50.946   21.297   5.7373   12.558  -3.6888   25.293   8.8214   14.467   58.007   26.811   56.100   23.102 1.907326 35.39125 
1 1 1  -27   41    5 o   53.854   21.392   9.2518   11.913   9.8293   25.732   9.0942   13.440   64.896   28.782   55.078   22.425 9.818035 36.48683 
1 1 1  -27   41    6 o   97.337   18.640   38.502   12.100   43.576   26.181   37.124   13.645   89.162   32.576   93.188   21.580 -4.025826 39.07543 
1 1 1  -27   41    7 o   62.241   22.262   16.373   12.146   16.283   25.654   16.398   13.789   66.693   29.188   62.555   23.496 4.137054 37.47013 
1 1 1  -27   41    8 o   38.305   18.635 -18.8050   15.752 -30.7463   24.425 -10.3006   20.612   44.789   22.076   47.979   22.805 -3.190208 31.74006 
1 1 1  -27   41    9 o   67.198   22.199   20.891   11.999 -14.8732   24.158   32.604   13.825   48.728   23.553   83.075   23.170 -34.34702 33.03949 
1 1 1  -27   41   10 o   48.748   21.171   5.9601   13.276   0.0000   0.0000   5.9601   13.276  ?   ?    48.748   21.171 0.000000 21.17149 
1 1 1  -27   41   11 o   45.036   20.232   2.8645   13.146   8.0098   27.488   1.3388   14.969   56.197   26.601   45.714   20.945 10.48247 33.85715 
1 1 1  -27   41   12 o   68.446   22.646   25.421   12.486   60.976   24.849   13.412   14.441   87.102   31.749   53.073   22.547 34.02895 38.94050 
1 1 1  -27   43    1 o   44.258   19.914  -2.0130   12.794   0.0000   0.0000  -2.0130   12.794  ?   ?    44.258   19.914 0.000000 19.91364 
1 1 1  -27   43    2 o   63.356   21.899   16.355   11.681   32.068   25.691   12.260   13.115   80.967   31.644   58.538   22.684 22.42929 38.93477 
1 1 1  -27   43    3 f   36.944   17.324  -8.0702   11.178  -4.9854   23.412  -8.9810   12.722   55.111   25.586   39.182   18.408 15.92840 31.51979 
1 1 1  -27   43    4 o  100.977   18.113   40.930   12.193   63.610   27.127   35.188   13.650  108.735   33.088   90.474   22.009 18.26117 39.73972 
1 1 1  -27   43    5 o   86.046   20.728   31.503   12.198   31.190   26.596   31.587   13.727   77.916   31.612   84.390   22.912 -6.474373 39.04211 
1 1 1  -27   43    6 o   47.740   20.271   4.7728   11.662   3.8059   24.355   5.0604   13.283   58.673   26.821   49.897   21.421 8.775829 34.32541 
1 1 1  -27   43    7 o   53.782   21.302   10.521   11.780   49.220   25.751   0.2786   13.248   90.649   32.416   45.365   20.350 45.28402 38.27444 
1 1 1  -27   43    8 o   48.996   20.651   6.6165   11.962 -20.4439   25.532   14.227   13.540   48.150   23.490   58.276   22.915 -10.12550 32.81549 
1 1 1  -27   43    9 o   44.174   19.705   1.7268   12.237   30.234   24.310  -7.9490   14.163   70.982   29.649   40.247   19.063 30.73544 35.24850 
1 1 1  -27   43   10 o   58.668   23.516   16.543   14.525   23.376   23.983   12.585   18.254   63.930   28.094   55.974   24.556 7.955200 37.31324 
1 1 1  -27   43   11 o   59.281   22.023   18.082   12.050   50.000   24.644   8.0547   13.813   79.491   31.013   48.790   21.384 30.70062 37.67103 
1 1 1  -27   45    1 o   54.682   20.927   10.768   11.063   9.1512   24.477   11.183   12.402   62.890   27.973   56.161   21.976 6.729679 35.57339 
1 1 1  -27   45    2 o   98.098   19.671   39.809   12.891   0.0000   0.0000   39.809   12.891  ?   ?    98.098   19.671 0.000000 19.67106 
1 1 1  -27   45    3 o   72.346   22.728   23.155   12.681  -1.6580   25.337   31.447   14.647   57.335   26.618   83.132   24.073 -25.79678 35.88902 
1 1 1  -27   45    4 o   54.887   21.361   10.977   11.668   2.0283   25.637   13.315   13.104   58.854   27.129   58.570   22.680 0.2833328 35.36096 
1 1 1  -27   45    5 o  127.946   14.164   62.878   12.333   56.195   26.927   64.652   13.873   97.225   33.265  128.076   16.000 -30.85070 36.91320 
1 1 1  -27   45    6 o   60.338   21.852   15.689   11.744  -6.6732   24.746   22.189   13.342   53.039   25.145   69.114   23.417 -16.07553 34.35962 
1 1 1  -27   45    7 o   67.060   24.696   21.764   15.090   22.449   24.545   21.348   19.134   67.238   28.994   66.141   26.821 1.097603 39.49699 
1 1 1  -27   45    8 o   36.300   17.247  -8.5917   11.769   18.127   25.074 -16.1407   13.328   63.111   28.175   35.024   17.061 28.08774 32.93786 
1 1 1  -27   45    9 o   48.837   22.897  -0.8380   19.514 -16.1268   28.139   13.327   27.085   49.300   24.179   59.248   27.511 -9.947929 36.62643 
1 1 1  -27   45   10 o   61.147   22.339   19.275   12.312   55.268   25.271   8.0732   14.099   84.301   31.779   49.308   21.608 34.99224 38.42916 
1 1 1  -27   47    1 o   53.757   21.180   10.247   11.589   99.707   27.031  -9.8997   12.828  143.597   28.205   38.242   18.122 105.3551 33.52503 
1 1 1  -27   47    2 o   42.926   19.101   0.1138   11.424   9.6293   25.660  -2.2384   12.758   62.253   28.088   43.054   19.577 19.19903 34.23701 
1 1 1  -27   47    3 o   37.614   17.871 -10.1908   12.635   0.0000   0.0000 -10.1908   12.635  ?   ?    37.614   17.871 0.000000 17.87120 
1 1 1  -27   47    4 o   63.320   22.960   17.796   12.971   0.0000   0.0000   17.796   12.971  ?   ?    63.320   22.960 0.000000 22.96006 
1 1 1  -27   47    5 f   60.374   21.774   15.943   11.643  -6.4341   25.184   22.025   13.130   53.059   25.216   68.584   23.230 -15.52535 34.28528 
1 1 1  -27   47    6 o   57.801   21.850   14.403   11.968   48.390   25.629   4.9240   13.535   86.746   32.140   48.717   21.264 38.02878 38.53731 
1 1 1  -27   47    7 o   34.419   16.526 -10.7973   11.420  -4.8780   24.372 -12.4624   12.927   51.581   24.596   36.044   17.374 15.53718 30.11323 
1 1 1  -27   47    8 o   37.203   17.579  -6.6852   11.907 -44.1073   26.078   3.1718   13.384   41.092   20.646   45.912   20.534 -4.820038 29.11884 
1 1 1  -27   47    9 o   32.580   16.133 -21.2302   13.593 -53.5122   25.849  -8.8922   15.981   38.355   19.416   40.681   19.537 -2.326599 27.54380 
1 1 1  -27   49    1 o   72.319   21.451   23.584   11.509   25.278   26.038   23.172   12.831   70.216   30.063   70.623   22.937 -0.4068069 37.81351 
1 1 1  -27   49    2 o   54.089   21.424   11.015   11.917   25.020   25.605   7.1424   13.464   69.805   29.847   51.142   21.750 18.66309 36.93119 
1 1 1  -27   49    3 o   50.892   20.538   8.9180   11.161  -5.1512   25.488   12.255   12.414   53.595   25.441   55.633   21.920 -2.037624 33.58143 
1 1 1  -27   49    4 o   50.452   21.312   7.5072   12.784   0.0000   0.0000   7.5072   12.784  ?   ?    50.452   21.312 0.000000 21.31181 
1 1 1  -27   49    5 o   87.813   21.857   35.664   13.231   0.0000   0.0000   35.664   13.231  ?   ?    87.813   21.857 0.000000 21.85691 
1 1 1  -27   49    6 o   39.131   18.720 -10.1892   14.359 -36.5805   24.268   4.0285   17.812   41.542   20.732   50.857   23.127 -9.314960 31.05943 
1 1 1  -27   49    7 o   87.464   20.616   35.476   12.276   29.371   26.125   37.207   13.907   67.229   29.438   86.819   22.838 -19.59027 37.25812 
1 1 1  -27   49    8 o   28.349   14.195 -25.4575   11.815   31.132   25.898 -40.3312   13.278   65.958   29.083   26.752   13.581 39.20571 32.09732 
1 1 1  -27   51    1 o   49.111   20.263   7.7858   11.158   12.361   23.686   6.4810   12.649   59.981   27.031   49.091   20.984 10.88955 34.22028 
1 1 1  -27   51    2 o   51.608   20.715   9.9186   11.289  -6.4000   25.541   13.880   12.584   52.194   24.968   56.932   22.176 -4.738365 33.39422 
1 1 1  -27   51    3 o   77.245   21.094   27.530   11.595   41.322   25.780   24.032   12.983   78.804   31.417   70.163   23.086 8.641914 38.98716 
1 1 1  -27   51    4 o   38.030   17.650  -3.9927   11.126 -28.0146   22.431   3.8460   12.814   41.985   20.779   46.347   20.445 -4.362022 29.15063 
1 1 1  -27   51    5 o   89.178   27.569   45.279   18.742   0.0000   0.0000   45.279   18.742  ?   ?    89.178   27.569 0.000000 27.56894 
1 1 1  -27   51    6 o   63.688   23.147   20.940   13.194   0.0000   0.0000   20.940   13.194  ?   ?    63.688   23.147 0.000000 23.14742 
1 1 1  -27   51    7 o   61.079   23.299   20.044   13.687   0.0000   0.0000   20.044   13.687  ?   ?    61.079   23.299 0.000000 23.29950 
1 1 1  -27   53    1 o   84.005   21.488   33.270   12.543   39.654   23.803   30.816   14.759   76.928   30.340   76.754   24.567 0.1739807 39.03910 
1 1 1  -27   53    2 o   83.302   20.670   32.146   11.860   33.839   23.194   31.547   13.801   72.186   29.432   78.980   23.505 -6.794197 37.66618 
1 1 1  -27   53    3 o   52.018   20.720   11.232   11.204   24.317   23.563   7.4089   12.736   64.524   28.113   48.819   20.967 15.70513 35.07070 
1 1 1  -27   53    4 o   72.640   21.228   25.642   11.343   12.898   24.665   29.060   12.774   57.367   26.502   75.816   22.625 -18.44945 34.84591 
1 1 1  -27   53    5 o   63.590   21.798   20.539   11.562 -13.6293   23.878   31.004   13.215   45.818   22.430   77.132   23.010 -31.31446 32.13346 
1 1 1  -27   53    6 o   50.751   20.825   11.424   11.704 -25.5463   25.195   21.597   13.217   42.749   21.301   62.610   23.103 -19.86061 31.42432 
1 1 1  -27   55    1 o   50.730   20.555   10.818   11.228   10.859   22.319   10.804   12.992   54.888   25.305   51.399   21.586 3.488907 33.26087 
1 1 1  -27   55    2 o   76.186   20.962   28.343   11.400   61.512   22.473   16.850   13.228   96.492   30.248   57.760   22.669 38.73166 37.79995 
1 1 1  -27   55    3 o   41.417   18.712   1.5258   11.434   23.454   22.813  -5.8310   13.214   61.272   27.141   38.679   18.348 22.59257 32.76113 
1 1 1  -26    0    1 o  550.117   8.7753  1048.47   33.392  1048.47   33.392  1048.47   33.392  550.117   8.7753  550.117   8.7753 0.000000 0.000000 
1 1 1  -26    0    2 o  140.402   20.154   72.439   18.413   72.439   18.413   72.439   18.413  140.402   20.154  140.402   20.154 0.000000 0.000000 
1 1 1  -26    0    3 o  232.964   13.681  189.943   21.884  189.943   21.884  189.943   21.884  232.964   13.681  232.964   13.681 0.000000 0.000000 
1 1 1  -26    0    4 o  135.923   36.093   76.390   29.337   76.390   29.337   76.390   29.337  135.923   36.093  135.923   36.093 0.000000 0.000000 
1 1 1  -26    0    5 f  224.099   20.852  178.781   31.699  178.781   31.699  178.781   31.699  224.099   20.852  224.099   20.852 0.000000 0.000000 
1 1 1  -26    0    6 o   48.449   30.591   3.4530   21.854   3.4530   21.854   3.4530   21.854   48.449   30.591   48.449   30.591 0.000000 0.000000 
1 1 1  -26    0    7 f   73.864   37.180   28.131   23.443   28.131   23.443   28.131   23.443   73.864   37.180   73.864   37.180 0.000000 0.000000 
1 1 1  -26    0    8 o  320.233   13.004  357.437   28.713  357.437   28.713  357.437   28.713  320.233   13.004  320.233   13.004 0.000000 0.000000 
1 1 1  -26    0    9 o   48.649   33.246 -20.7463   35.134 -20.7463   35.134 -20.7463   35.134   48.649   33.246   48.649   33.246 0.000000 0.000000 
1 1 1  -26    0   10 o   38.508   26.552 -17.1224   23.582 -17.1224   23.582 -17.1224   23.582   38.508   26.552   38.508   26.552 0.000000 0.000000 
1 1 1  -26    0   11 o   42.724   29.615 -23.5805   30.317 -23.5805   30.317 -23.5805   30.317   42.724   29.615   42.724   29.615 0.000000 0.000000 
1 1 1  -26    0   12 o   40.639   27.905 -15.5992   25.415 -15.5992   25.415 -15.5992   25.415   40.639   27.905   40.639   27.905 0.000000 0.000000 
1 1 1  -26    0   13 o   51.551   32.577   6.5453   24.843   6.5453   24.843   6.5453   24.843   51.551   32.577   51.551   32.577 0.000000 0.000000 
1 1 1  -26    0   14 o   63.766   39.837   16.849   36.007   16.849   36.007   16.849   36.007   63.766   39.837   63.766   39.837 0.000000 0.000000 
1 1 1  -26    0   15 o  181.423   14.175  118.915   17.549  118.915   17.549  118.915   17.549  181.423   14.175  181.423   14.175 0.000000 0.000000 
1 1 1  -26    0   16 o   38.865   25.342   1.7879   16.596   1.7879   16.596   1.7879   16.596   38.865   25.342   38.865   25.342 0.000000 0.000000 
1 1 1  -26    0   17 o   91.129   30.508   42.498   17.167   42.498   17.167   42.498   17.167   91.129   30.508   91.129   30.508 0.000000 0.000000 
1 1 1  -26    2    1 o  202.170   9.8438  142.008   13.774  115.531   19.631  167.680   19.331  181.114   15.820  219.017   12.808 -37.90297 20.35486 
1 1 1  -26    2    2 o  284.653   7.7385  281.113   15.246  302.065   21.509  259.958   21.613  294.750   10.544  273.324   11.425 21.42584 15.54662 
1 1 1  -26    2    3 o  262.059   8.7333  238.463   15.840  247.386   22.063  228.971   22.755  266.522   11.961  255.964   12.886 10.55797 17.58138 
1 1 1  -26    2    4 o  106.359   27.627   42.064   20.520   44.478   28.693   39.537   29.357  110.049   34.127  105.369   34.718 4.680466 48.68240 
1 1 1  -26    2    5 o  362.102   7.5995  455.115   19.045  447.103   26.785  463.308   27.086  358.349   10.799  364.800   10.728 -6.451050 15.22232 
1 1 1  -26    2    6 o   73.631   25.474   17.888   15.808   0.4846   22.517   34.801   22.198   65.126   27.922   97.377   29.987 -32.25137 40.97355 
1 1 1  -26    2    7 o   56.818   24.003   1.9072   16.220   6.0329   23.428  -1.8902   22.477   70.103   29.179   63.178   27.493 6.924759 40.09096 
1 1 1  -26    2    8 o  199.592   13.179  140.462   18.103  123.176   26.038  156.637   25.186  184.298   20.775  209.369   17.543 -25.07141 27.19113 
1 1 1  -26    2    9 o   95.304   25.636   34.872   17.279   50.805   24.486   19.068   24.386  113.432   30.520   80.369   30.990 33.06258 43.49545 
1 1 1  -26    2   10 o  111.729   24.467   48.425   18.396   40.483   28.844   53.870   23.884  100.497   34.429  115.508   29.707 -15.01111 45.47372 
1 1 1  -26    2   11 f   71.785   27.429   16.767   18.987  -0.8984   23.191   52.683   33.068   61.963   27.411  109.214   36.867 -47.25044 45.94003 
1 1 1  -26    2   12 o   53.091   23.756  -2.9194   17.934   6.0834   25.226 -12.1208   25.503   67.292   29.204   57.585   26.724 9.707405 39.58620 
1 1 1  -26    2   13 o  165.267   16.202  102.223   18.295  115.445   27.034   91.052   24.849  168.846   23.793  148.593   25.053 20.25325 34.55096 
1 1 1  -26    2   14 o   57.446   25.609   1.9885   20.635   9.3768   24.719 -14.9951   37.478   65.588   28.680   64.014   30.517 1.574509 41.87881 
1 1 1  -26    2   15 o   77.644   24.767   27.291   15.009   0.0000   0.0000   27.291   15.009  ?   ?    77.644   24.767 0.000000 24.76682 
1 1 1  -26    2   16 o   44.973   19.435   3.0911   11.076   8.0890   15.413  -2.2460   15.928   54.131   23.152   47.005   21.562 7.126171 31.63740 
1 1 1  -26    2   17 o   77.664   21.652   28.260   12.075   26.662   17.135   29.836   17.020   70.526   26.250   74.259   26.375 -3.733185 37.21171 
1 1 1  -26    4    1 o  172.877   11.246  104.403   13.383   89.760   18.746  119.623   19.112  159.159   17.296  184.447   15.104 -25.28836 22.96271 
1 1 1  -26    4    2 o  182.494   10.981  116.261   13.805  122.014   19.437  110.404   19.610  186.246   15.212  176.906   16.196 9.340698 22.21950 
1 1 1  -26    4    3 o   64.878   24.808   10.565   15.540   20.225   18.616 -11.6341   28.222   79.065   27.627   65.889   29.618 13.17552 40.50292 
1 1 1  -26    4    4 o  253.158   12.910  224.145   22.545  237.415   30.963  209.171   32.891  259.485   17.340  242.810   19.743 16.67502 26.27670 
1 1 1  -26    4    5 o  240.721   11.445  201.923   19.069  218.000   33.818  194.428   23.089  247.653   19.898  235.351   14.242 12.30182 24.46958 
1 1 1  -26    4    6 o   72.597   25.266   17.245   15.562  -1.3146   22.015   35.782   22.002   63.152   27.345   98.439   29.765 -35.28676 40.41877 
1 1 1  -26    4    7 o  102.666   23.227   39.244   16.119   40.251   23.812   38.392   21.899  103.453   30.894  101.082   29.482 2.370979 42.70419 
1 1 1  -26    4    8 o  161.159   18.350   93.558   20.103   81.659   35.217   99.309   24.484  143.370   35.643  164.732   22.026 -21.36191 41.89941 
1 1 1  -26    4    9 o   59.855   24.679   5.6036   16.537   6.8804   24.325   4.5063   22.550   70.434   29.556   66.660   28.239 3.773216 40.87779 
1 1 1  -26    4   10 o   69.261   26.757   14.024   18.205   39.024   28.330  -3.5606   23.759   98.934   34.109   61.895   27.544 37.03946 43.84177 
1 1 1  -26    4   11 o  266.058   13.799  254.171   25.323  253.854   33.646  254.585   38.461  262.004   18.676  259.618   21.601 2.385986 28.55513 
1 1 1  -26    4   12 o   88.385   26.724   32.389   17.736   10.400   25.068   54.431   25.098   69.956   29.712  111.259   31.285 -41.30282 43.14603 
1 1 1  -26    4   13 o   44.769   21.191 -14.7881   17.444   0.7088   26.329 -26.9142   23.290   63.531   28.578   47.846   23.126 15.68510 36.76287 
1 1 1  -26    4   14 o   44.221   19.855  -2.1961   12.642 -26.0244   34.345   1.5381   13.596   58.200   28.119   48.745   21.293 9.455254 35.27192 
1 1 1  -26    4   15 o   57.483   23.152   11.139   14.153   0.0000   0.0000   11.139   14.153  ?   ?    57.483   23.152 0.000000 23.15208 
1 1 1  -26    4   16 o   53.543   20.858   10.652   11.134  -0.3868   15.393   22.763   16.124   47.546   21.575   69.209   25.522 -21.66246 33.41921 
1 1 1  -26    4   17 o   54.810   21.320   12.641   11.619   17.626   16.526   7.7684   16.340   61.168   24.881   52.647   23.161 8.520473 33.99303 
1 1 1  -26    6    1 o  272.747   7.8273  258.108   14.776  240.469   20.731  276.322   21.066  262.879   11.394  281.874   10.798 -18.99585 15.69782 
1 1 1  -26    6    2 o  243.622   8.5164  206.045   14.360  195.971   19.824  217.166   20.829  236.900   12.131  249.713   12.052 -12.81268 17.10011 
1 1 1  -26    6    3 o  445.461   9.4646  689.538   29.180  644.390   39.643  742.927   43.109  429.762   13.328  461.404   13.499 -31.64151 18.97001 
1 1 1  -26    6    4 f  354.769   10.644  437.992   26.136  434.634   36.177  441.659   37.801  352.482   14.829  355.175   15.377 -2.692963 21.36299 
1 1 1  -26    6    5 o  133.443   19.992   64.244   17.896   49.268   31.741   71.223   21.668  115.060   35.928  139.739   23.219 -24.67936 42.77812 
1 1 1  -26    6    6 o  124.781   18.561   56.128   15.541   58.585   22.626   53.933   21.385  125.188   26.914  120.144   26.435 5.044563 37.72465 
1 1 1  -26    6    7 o  216.035   11.669  163.538   17.383  180.302   25.203  148.325   24.008  225.591   16.251  204.226   17.144 21.36563 23.62203 
1 1 1  -26    6    8 o   52.364   23.621  -7.7467   18.135 -15.6515   23.046   5.1073   29.388   55.518   25.637   75.498   32.121 -19.97992 41.09766 
1 1 1  -26    6    9 o   52.844   23.193  -2.2001   16.298 -20.0354   22.688   16.814   23.426   52.397   24.605   77.411   30.227 -25.01335 38.97602 
1 1 1  -26    6   10 o   86.387   27.279   28.989   18.244   45.395   29.905   19.262   23.025  104.905   35.061   78.093   30.113 26.81222 46.21760 
1 1 1  -26    6   11 o  142.604   18.281   75.752   17.628  101.553   25.367   51.654   24.515  162.113   23.276  110.564   30.860 51.54950 38.65354 
1 1 1  -26    6   12 o   65.136   26.785   10.664   19.415   15.122   24.419   3.0000   32.013   72.776   29.996   71.110   31.784 1.665527 43.70358 
1 1 1  -26    6   13 o  138.874   22.120   77.178   20.548   73.486   25.447   84.098   34.832  129.147   29.159  129.040   37.052 0.1074066 47.15017 
1 1 1  -26    6   14 o   55.484   22.238   9.2159   12.989   11.424   32.804   8.8052   14.145   71.284   31.996   56.172   22.953 15.11201 39.37744 
1 1 1  -26    6   15 o  114.956   17.994   52.843   13.847   31.668   37.327   56.222   14.911   79.034   34.878  117.823   18.926 -38.78957 39.68196 
1 1 1  -26    6   16 o   67.907   23.444   21.229   13.385   3.3902   35.669   24.153   14.440   63.201   30.028   71.420   24.361 -8.219337 38.66708 
1 1 1  -26    6   17 o   82.401   23.805   33.752   14.339   13.577   16.425   98.390   29.398   57.294   24.177  126.383   33.185 -69.08952 41.05786 
1 1 1  -26    8    1 o   91.880   20.389   30.878   12.627   24.661   17.494   37.640   18.244   83.753   26.741  100.919   25.969 -17.16646 37.27530 
1 1 1  -26    8    2 o  255.563   8.3375  226.728   14.747  218.048   20.561  235.925   21.163  250.221   11.873  260.293   11.747 -10.07268 16.70210 
1 1 1  -26    8    3 o  349.196   10.194  424.057   24.637  385.317   33.911  467.366   35.855  331.972   14.759  365.760   14.164 -33.78833 20.45589 
1 1 1  -26    8    4 o  103.114   23.969   39.316   16.781   37.454   28.939   40.260   20.597  103.013   34.490  104.013   27.994 -1.000610 44.42079 
1 1 1  -26    8    5 o  254.267   11.021  225.242   19.395  226.146   33.465  224.785   23.799  252.340   19.308  253.204   13.631 -0.8636017 23.63436 
1 1 1  -26    8    6 o  404.361   7.5245  567.844   21.058  590.592   30.253  546.464   29.330  411.658   10.618  395.958   10.703 15.69986 15.07642 
1 1 1  -26    8    7 o  116.283   21.345   49.741   16.546   37.590   23.619   61.450   23.185  100.230   30.943  127.686   27.075 -27.45616 41.11630 
1 1 1  -26    8    8 f  129.910   18.384   61.291   16.068   36.010   22.616   87.059   22.832   97.456   30.310  153.837   22.077 -56.38115 37.49807 
1 1 1  -26    8    9 o   62.269   25.556   6.8208   17.631   37.580   28.808 -11.5997   22.293   99.136   34.383   55.928   25.602 43.20707 42.86788 
1 1 1  -26    8   10 o   55.044   23.487   2.1975   15.795 -21.5684   23.219   22.669   21.550   51.820   24.504   80.251   29.519 -28.43105 38.36430 
1 1 1  -26    8   11 o   66.475   25.806   13.418   16.998  -0.9097   24.565   26.578   23.544   63.254   28.085   83.638   30.841 -20.38335 41.71215 
1 1 1  -26    8   12 o   87.312   30.073   32.196   22.019   43.415   29.661   18.424   32.864   97.810   34.810   79.987   33.998 17.82269 48.65795 
1 1 1  -26    8   13 o   39.915   18.821 -11.5335   13.519  -9.2293   30.307 -12.1058   15.105   62.103   28.925   42.339   19.943 19.76419 35.13360 
1 1 1  -26    8   14 o   98.310   20.312   39.334   13.363   25.015   34.685   41.830   14.481   78.761   34.214  100.613   21.451 -21.85120 40.38211 
1 1 1  -26    8   15 o   65.831   23.554   18.535   13.597   42.829   33.656   13.797   14.864   85.266   35.188   60.562   23.947 24.70454 42.56350 
1 1 1  -26    8   16 f   47.296   21.181   1.2908   14.291   0.0000   0.0000   1.2908   14.291  ?   ?    47.296   21.181 0.000000 21.18112 
1 1 1  -26    8   17 o   51.477   21.943   8.7676   13.762  -1.4751   15.672   43.268   28.763   45.533   21.067   77.079   32.227 -31.54585 38.50200 
1 1 1  -26   10    1 o  380.108   7.8468  501.394   20.643  468.195   34.976  519.140   25.572  366.237   13.798  386.514   9.5593 -20.27756 16.78624 
1 1 1  -26   10    2 o  161.618   14.502   91.992   16.049   81.366   27.172   97.686   19.889  148.606   27.429  165.925   17.587 -17.31889 32.58302 
1 1 1  -26   10    3 o  104.101   26.159   40.233   18.825   33.039   26.037   48.112   27.249   97.409   32.714  113.502   32.825 -16.09287 46.34323 
1 1 1  -26   10    4 o  198.327   13.250  137.970   18.083  125.171   31.181  144.455   22.196  185.699   24.887  202.351   15.979 -16.65231 29.57521 
1 1 1  -26   10    5 o  244.663   10.030  208.352   16.984  207.895   24.728  208.761   23.368  243.146   14.764  243.872   13.902 -0.7258759 20.27909 
1 1 1  -26   10    6 o  137.366   17.498   67.608   16.258   78.861   23.341   57.002   22.660  146.589   23.824  123.166   27.299 23.42317 36.23271 
1 1 1  -26   10    7 o  154.353   16.644   85.127   17.500  105.755   22.008   49.659   28.858  171.519   18.850  113.540   34.033 57.97952 38.90495 
1 1 1  -26   10    8 o   45.747   21.126 -11.2217   15.652  -9.6048   21.913 -12.9058   22.364   56.925   25.795   55.765   25.569 1.159878 36.32048 
1 1 1  -26   10    9 f  117.811   22.153   52.374   17.400   67.854   30.534   44.930   21.175  128.654   33.839  106.748   28.228 21.90543 44.06683 
1 1 1  -26   10   10 o  220.762   11.644  172.771   17.729  211.949   26.758  142.118   23.669  242.049   16.064  197.184   17.526 44.86482 23.77421 
1 1 1  -26   10   11 o   80.341   26.060   25.500   16.565   49.159   23.789   3.2320   23.079  107.546   30.535   64.067   27.870 43.47874 41.34142 
1 1 1  -26   10   12 o   44.782   20.694  -8.5705   15.057   1.8366   29.195 -12.3415   17.574   67.762   30.316   46.648   21.825 21.11354 37.35490 
1 1 1  -26   10   13 o  154.821   13.243   87.856   14.054  116.000   32.543   81.403   15.582  161.265   30.268  147.498   15.496 13.76694 34.00398 
1 1 1  -26   10   14 f   72.745   23.554   22.571   13.537   25.322   34.906   22.084   14.687   78.563   34.224   71.900   24.568 6.662628 42.12880 
1 1 1  -26   10   15 o   82.648   23.163   30.472   13.782 -53.0244   33.604   47.357   15.111   48.936   24.418  105.491   21.428 -56.55465 32.48703 
1 1 1  -26   10   16 o   37.412   18.224 -18.5799   15.208   0.0000   0.0000 -18.5799   15.208  ?   ?    37.412   18.224 0.000000 18.22437 
1 1 1  -26   10   17 o   68.867   23.482   23.955   13.417   27.068   29.017   23.109   15.132   66.789   30.026   66.623   24.694 0.1653671 38.87603 
1 1 1  -26   12    1 f  220.453   10.930  169.141   16.677  109.756   28.606  199.719   20.527  174.088   24.413  239.035   12.450 -64.94725 27.40424 
1 1 1  -26   12    2 o   37.502   18.297 -28.1366   15.503 -28.1415   26.275 -28.1339   19.202   55.384   26.152   44.210   21.277 11.17433 33.71463 
1 1 1  -26   12    3 o  220.949   14.385  171.432   21.878  141.658   30.313  203.805   31.609  198.608   22.447  239.693   19.215 -41.08432 29.54762 
1 1 1  -26   12    4 f  106.550   23.894   42.026   17.186   24.859   30.395   50.094   20.836   92.407   34.848  115.918   26.543 -23.51053 43.80538 
1 1 1  -26   12    5 o   74.038   25.305   18.378   15.581   28.227   21.836   8.1617   22.240   89.707   29.959   70.587   28.805 19.11974 41.56094 
1 1 1  -26   12    6 o  165.055   14.386   96.312   16.270   93.989   23.364   98.499   22.669  160.974   21.509  165.268   20.241 -4.294250 29.53535 
1 1 1  -26   12    7 o   59.653   23.824   7.2421   14.849   8.8290   20.287   5.4109   21.792   68.200   27.631   67.219   28.074 0.9806442 39.39024 
1 1 1  -26   12    8 o  151.852   22.005   85.258   22.454   0.0000   0.0000   85.258   22.454  ?   ?   151.852   22.005 0.000000 22.00541 
1 1 1  -26   12    9 o  142.374   17.147   73.803   16.556   64.523   24.641   81.440   22.354  127.696   28.592  147.089   22.688 -19.39297 36.50047 
1 1 1  -26   12   10 f  134.184   18.112   66.708   16.391   57.351   24.210   74.625   22.271  118.176   29.649  138.800   24.055 -20.62430 38.17985 
1 1 1  -26   12   11 o   86.568   26.059   30.385   16.892   4.9701   24.908   52.028   22.985   66.860   29.018  110.957   29.443 -44.09743 41.33983 
1 1 1  -26   12   12 f   81.784   23.437   27.245   13.949   76.829   30.717   14.364   15.656  128.799   33.970   65.125   24.901 63.67430 42.11967 
1 1 1  -26   12   13 o   61.112   23.620   12.688   14.191   27.259   30.693   8.7264   16.004   81.416   33.602   58.598   24.231 22.81767 41.42691 
1 1 1  -26   12   14 o   43.065   19.729  -4.7772   13.275   1.2068   33.557  -5.8874   14.454   66.196   30.697   44.179   20.367 22.01773 36.83902 
1 1 1  -26   12   15 o   45.244   20.368  -0.9725   13.405   54.000   30.917 -13.6984   14.875   93.583   35.175   39.722   19.016 53.86061 39.98651 
1 1 1  -26   12   16 o   47.636   22.222  -4.2607   18.002  -3.6322   29.295  -4.6420   22.818   56.787   27.047   51.919   24.472 4.868618 36.47517 
1 1 1  -26   12   17 o   38.615   18.667 -13.0627   15.185   0.0000   0.0000 -13.0627   15.185  ?   ?    38.615   18.667 0.000000 18.66700 
1 1 1  -26   14    1 o  356.694   8.3174  441.821   20.533  368.878   34.713  481.080   25.467  324.547   15.454  371.938   9.8929 -47.39063 18.34904 
1 1 1  -26   14    2 o  276.747   11.865  266.964   22.727  239.854   32.076  294.293   32.205  260.543   17.896  289.248   16.152 -28.70514 24.10702 
1 1 1  -26   14    3 o  369.866   14.828  479.024   37.959  479.024   37.959   0.0000   0.0000  369.866   14.828  ?   ?  0.000000 14.82822 
1 1 1  -26   14    4 o  135.599   18.883   66.106   17.241   54.098   29.636   72.249   21.197  119.352   34.150  140.844   22.503 -21.49178 40.89701 
1 1 1  -26   14    5 o  227.216   12.808  181.093   20.060  129.512   33.669  209.477   24.976  187.613   26.681  243.876   14.868 -56.26311 30.54443 
1 1 1  -26   14    6 o   86.501   24.350   27.805   15.195   29.126   20.246   26.100   22.994   89.543   28.786   87.563   30.698 1.980896 42.08318 
1 1 1  -26   14    7 f  177.013   12.899  110.593   15.695  103.253   21.484  118.995   22.984  169.206   18.655  181.825   18.522 -12.61964 26.28855 
1 1 1  -26   14    8 o  114.167   22.246   48.995   16.946   52.634   27.561   46.783   21.488  114.661   32.969  109.470   28.191 5.191467 43.37857 
1 1 1  -26   14    9 o   42.900   20.192 -14.6702   15.435 -42.8248   22.813   9.0970   20.960   43.761   21.524   67.615   27.821 -23.85433 35.17490 
1 1 1  -26   14   10 o   50.728   22.524  -2.8110   15.803  -9.9151   23.787   2.8015   21.143   57.684   26.420   62.138   26.852 -4.454166 37.67025 
1 1 1  -26   14   11 o   38.526   17.996  -9.5370   11.868   7.1659   31.525 -12.2950   12.810   73.565   32.272   38.697   18.269 34.86811 37.08426 
1 1 1  -26   14   12 o   55.539   21.715   9.0441   12.102 -16.4342   29.745   14.098   13.248   59.410   27.984   62.908   23.144 -3.497398 36.31456 
1 1 1  -26   14   13 o   90.444   35.163   40.459   31.596   40.459   31.596   0.0000   0.0000   90.444   35.163  ?   ?  0.000000 35.16344 
1 1 1  -26   14   14 o   31.840   15.710 -23.2746   12.479   7.4000   30.994 -29.2096   13.633   67.008   30.486   31.801   15.817 35.20776 34.34462 
1 1 1  -26   14   15 o   52.090   21.930   7.0901   13.464 -13.0293   27.539   13.409   15.434   54.001   25.857   59.827   24.149 -5.826744 35.38000 
1 1 1  -26   14   16 o   36.194   17.548 -15.4318   13.659  -3.6849   29.711 -18.5797   15.381   56.624   27.044   37.452   18.262 19.17258 32.63224 
1 1 1  -26   14   17 o   72.096   25.118   28.466   15.383   0.0000   0.0000   28.466   15.383  ?   ?    72.096   25.118 0.000000 25.11818 
1 1 1  -26   16    1 o  121.598   32.903   55.951   28.364   55.951   28.364   0.0000   0.0000  121.598   32.903  ?   ?  0.000000 32.90261 
1 1 1  -26   16    2 o  371.376   8.4747  479.151   21.783  440.255   26.335  563.415   38.761  355.571   10.701  401.371   13.953 -45.80038 17.58418 
1 1 1  -26   16    3 o  282.265   8.7764  276.933   17.145  276.877   24.332  276.987   24.164  281.604   12.484  281.677   12.395 -0.7369995E-01 17.59209 
1 1 1  -26   16    4 o  482.719   6.8993  808.747   23.050  763.938   31.799  858.361   33.461  468.455   9.8077  496.584   9.7357 -28.12878 13.81937 
1 1 1  -26   16    5 o  245.590   10.259  210.232   17.438  194.684   24.086  227.359   25.279  234.953   14.889  254.114   14.433 -19.16061 20.73622 
1 1 1  -26   16    6 f  253.461   9.6284  223.958   16.891  192.223   22.596  264.142   25.427  233.451   14.050  274.324   13.392 -40.87303 19.41058 
1 1 1  -26   16    7 o   62.138   24.070   9.8580   14.763   3.6624   21.419   15.464   20.375   65.014   27.531   74.014   28.382 -8.999611 39.54077 
1 1 1  -26   16    8 o  138.356   18.373   70.010   17.158   68.244   27.720   71.107   21.846  130.650   31.103  137.044   23.902 -6.394104 39.22612 
1 1 1  -26   16    9 o   98.725   23.122   37.755   15.522   39.975   21.913   35.518   21.989   99.541   29.616   94.359   29.964 5.181953 42.13023 
1 1 1  -26   16   10 o   54.823   21.640   7.6084   12.119 -19.4146   29.911   12.916   13.256   60.387   28.324   62.663   23.135 -2.275528 36.57115 
1 1 1  -26   16   11 o   89.029   21.990   31.514   13.470   54.000   32.954   27.004   14.759  107.195   36.797   81.775   24.300 25.41954 44.09669 
1 1 1  -26   16   12 o   41.084   18.800  -5.6348   12.009  -9.9756   29.948  -4.8032   13.109   61.917   28.810   43.686   19.856 18.23153 34.98976 
1 1 1  -26   16   13 o   45.304   20.921  -6.9730   15.347   0.0000   0.0000  -6.9730   15.347  ?   ?    45.304   20.921 0.000000 20.92066 
1 1 1  -26   16   14 o   31.287   15.505 -25.4236   12.651 -11.1317   29.482 -28.6490   14.006   57.749   27.397   32.560   16.167 25.18872 31.81181 
1 1 1  -26   16   15 o   51.455   23.201   1.4981   17.475   19.478   25.795 -13.7544   23.758   68.157   29.556   50.114   24.002 18.04230 38.07376 
1 1 1  -26   16   16 o   44.999   20.390   0.0392   13.691   23.000   29.752  -6.1295   15.421   67.403   30.343   43.233   20.297 24.16924 36.50592 
1 1 1  -26   16   17 o   40.949   19.501  -7.2495   15.216   0.0000   0.0000  -7.2495   15.216  ?   ?    40.949   19.501 0.000000 19.50059 
1 1 1  -26   18    1 o  219.509   10.255  167.744   15.579  188.284   22.102  147.462   21.963  231.593   13.853  204.434   15.641 27.15894 20.89366 
1 1 1  -26   18    2 o  166.177   15.166   97.618   17.251   93.183   20.926  107.024   30.475  161.326   19.113  170.560   26.691 -9.233276 32.82867 
1 1 1  -26   18    3 o  186.069   12.311  121.444   15.765  103.669   22.038  140.072   22.561  170.205   19.033  198.866   16.541 -28.66104 25.21685 
1 1 1  -26   18    4 o  206.269   13.343  149.585   18.946  111.951   32.726  168.557   23.236  173.426   28.237  218.438   15.469 -45.01265 32.19657 
1 1 1  -26   18    5 o  136.633   16.603   66.841   15.378   68.474   21.055   64.973   22.515  136.285   23.150  131.843   25.596 4.442337 34.51224 
1 1 1  -26   18    6 o  111.999   20.364   46.237   15.204   27.785   20.702   67.846   22.402   87.659   29.167  134.531   24.979 -46.87163 38.40188 
1 1 1  -26   18    7 o  210.968   12.218  156.991   17.764  127.219   29.041  174.790   22.455  185.288   23.151  221.720   14.716 -36.43207 27.43271 
1 1 1  -26   18    8 o  221.879   11.029  173.126   16.936  183.848   25.016  164.053   23.012  226.111   16.090  213.746   15.664 12.36548 22.45587 
1 1 1  -26   18    9 o   85.202   24.799   28.436   15.508   37.865   22.501   19.903   21.404   96.549   30.267   77.099   29.203 19.45015 42.05807 
1 1 1  -26   18   10 o   82.258   21.673   26.512   12.512   21.107   31.226   27.546   13.656   82.710   33.985   83.482   22.931 -0.7718353 40.99818 
1 1 1  -26   18   11 o   66.651   22.054   17.011   11.841   24.859   30.928   15.663   12.818   83.125   33.951   65.119   22.915 18.00596 40.96000 
1 1 1  -26   18   12 o   99.381   18.625   38.502   12.340   42.054   28.714   37.697   13.666   93.887   34.144   96.914   20.982 -3.027344 40.07540 
1 1 1  -26   18   13 o   55.344   22.469   8.6608   13.445  -4.7341   28.066   12.651   15.318   60.566   28.082   61.191   24.273 -0.6252251 37.11827 
1 1 1  -26   18   14 o   42.390   20.931 -34.7641   22.292 -42.0780   29.730 -25.3707   33.692   48.339   23.923   56.029   27.256 -7.690517 36.26538 
1 1 1  -26   18   15 o   37.622   18.005 -12.2102   13.313   9.6537   27.383 -18.9775   15.234   62.641   28.559   37.531   18.273 25.10975 33.90487 
1 1 1  -26   18   16 o   41.259   19.224  -4.6175   13.406 -42.1659   30.042   4.7189   14.980   45.686   22.840   49.568   21.974 -3.882168 31.69426 
1 1 1  -26   20    1 o  242.579   10.818  205.105   18.163  174.839   22.465  262.244   30.866  222.842   14.647  272.549   16.440 -49.70735 22.01827 
1 1 1  -26   20    2 o  360.490   8.6328  451.843   21.539  416.195   35.514  472.584   27.089  344.374   14.900  368.223   10.629 -23.84937 18.30322 
1 1 1  -26   20    3 o   82.879   24.829   25.122   15.363   6.4063   21.440   44.873   22.025   67.971   28.070  108.913   28.784 -40.94205 40.20529 
1 1 1  -26   20    4 o  124.135   20.348   56.236   16.876   46.262   20.145   79.707   30.903  110.690   26.621  144.048   31.844 -33.35802 41.50560 
1 1 1  -26   20    5 o   53.729   22.430   2.8498   13.903   7.9996   18.946  -3.1597   20.466   65.802   26.687   59.129   25.969 6.672581 37.23700 
1 1 1  -26   20    6 o  231.478   10.016  187.260   16.047  169.443   23.035  204.060   22.368  218.255   15.347  240.320   13.503 -22.06502 20.44138 
1 1 1  -26   20    7 o   90.131   24.827   31.180   15.981   54.293   26.158   17.415   20.187  116.353   31.645   75.117   28.382 41.23584 42.50839 
1 1 1  -26   20    8 f  141.662   16.382   73.013   15.766   89.254   22.912   58.409   21.727  153.931   22.144  121.866   26.514 32.06548 34.54460 
1 1 1  -26   20    9 o   60.820   22.504   11.873   12.556 -43.2780   29.697   23.879   13.856   52.182   25.430   78.412   23.600 -26.22931 34.69360 
1 1 1  -26   20   10 o  105.599   19.275   42.638   13.568   29.532   28.880   46.350   15.370   87.238   33.701  109.247   21.092 -22.00936 39.75715 
1 1 1  -26   20   11 o   92.495   19.874   33.571   12.343 -11.0439   31.167   41.870   13.442   63.183   29.396  103.829   19.420 -40.64587 35.23156 
1 1 1  -26   20   12 o   62.204   22.134   14.612   11.991 -20.6488   29.567   21.554   13.118   56.662   27.038   72.480   23.158 -15.81832 35.59977 
1 1 1  -26   20   13 o   60.633   22.977   13.619   13.255   42.902   29.263   6.0603   14.868   90.347   34.163   54.030   22.912 36.31732 41.13495 
1 1 1  -26   20   14 o   58.140   26.218   3.9987   22.323   35.815   30.633 -32.0293   32.597   80.996   33.510   52.969   25.987 28.02669 42.40574 
1 1 1  -26   20   15 o   51.815   21.968   7.4014   13.665 -17.3073   30.260   13.730   15.315   53.488   25.976   59.066   23.980 -5.578392 35.35231 
1 1 1  -26   20   16 o   99.917   23.405   47.981   15.901   0.0000   0.0000   47.981   15.901  ?   ?    99.917   23.405 0.000000 23.40451 
1 1 1  -26   22    1 o  184.974   13.599  120.513   17.288  107.872   21.059  146.634   30.273  173.860   17.750  201.459   22.073 -27.59875 28.32460 
1 1 1  -26   22    2 o  158.213   16.806   89.265   18.121   90.303   22.537   87.366   30.477  157.812   21.168  151.895   30.054 5.916397 36.76038 
1 1 1  -26   22    3 o  397.492   7.5406  549.089   20.745  459.404   27.957  658.961   30.945  362.680   11.138  434.659   10.286 -71.97931 15.16105 
1 1 1  -26   22    4 o  114.608   18.961   47.916   14.514   71.913   19.786   19.955   21.357  140.257   21.030   79.813   29.382 60.44443 36.13287 
1 1 1  -26   22    5 o   87.264   23.141   28.660   14.204   13.638   19.128   47.130   21.209   71.084   27.436  110.686   27.741 -39.60158 39.01668 
1 1 1  -26   22    6 o  102.165   23.385   39.679   16.179   37.805   24.583   41.111   21.488   98.915   31.711  102.642   28.978 -3.726677 42.95758 
1 1 1  -26   22    7 o   88.969   23.315   30.432   14.530   25.231   20.978   35.227   20.144   83.345   29.316   94.745   28.442 -11.40048 40.84609 
1 1 1  -26   22    8 o   69.903   22.403   18.209   12.270   3.5790   26.327   22.269   13.869   68.795   29.846   76.381   23.732 -7.586800 38.13136 
1 1 1  -26   22    9 o  167.601   11.243   99.974   12.966   77.756   27.617  106.255   14.685  136.683   30.015  172.302   12.397 -35.61920 32.47446 
1 1 1  -26   22   10 o   79.331   21.811   24.968   12.347   38.971   29.065   21.884   13.639   94.454   34.351   74.445   23.595 20.00899 41.67401 
1 1 1  -26   22   11 o   61.296   21.677   13.829   11.484   33.688   28.346   9.9298   12.561   87.633   33.507   56.998   22.168 30.63507 40.17588 
1 1 1  -26   22   12 o   66.424   22.090   17.718   11.874 -28.9024   27.909   28.023   13.121   51.830   25.118   81.954   22.464 -30.12490 33.69790 
1 1 1  -26   22   13 o   60.842   22.248   14.433   12.216   73.171   29.723   2.4954   13.399  117.151   34.399   48.821   21.237 68.32970 40.42603 
1 1 1  -26   22   14 o   46.533   20.840   0.0251   13.836   19.220   29.514  -5.3816   15.664   69.835   30.906   45.322   21.001 24.51344 37.36644 
1 1 1  -26   22   15 o   81.349   28.271   35.837   19.480   46.024   30.877   29.101   25.108   82.405   33.820   72.494   30.193 9.911140 45.33672 
1 1 1  -26   22   16 o   61.777   25.792   19.225   18.385   61.171   32.188  -1.0873   22.399   85.173   34.694   51.025   24.110 34.14759 42.24865 
1 1 1  -26   24    1 o  344.598   8.6891  413.300   20.724  396.131   25.102  450.049   36.725  336.849   10.767  357.637   14.837 -20.78769 18.33197 
1 1 1  -26   24    2 o  679.190   9.8416  1608.58   46.263   0.0000   0.0000  1608.58   46.263  ?   ?   679.190   9.8416 0.000000 9.841613 
1 1 1  -26   24    3 o  344.017   9.0203  412.371   21.477  379.555   25.238  498.537   40.895  329.476   11.068  375.643   15.730 -46.16641 19.23307 
1 1 1  -26   24    4 o  100.751   21.573   37.929   14.590   39.750   19.915   35.819   21.435  101.813   27.579   96.997   29.389 4.815491 40.30284 
1 1 1  -26   24    5 o  145.785   14.624   75.940   14.556   53.635   20.876   97.046   20.307  118.170   26.211  163.650   18.240 -45.47980 31.93289 
1 1 1  -26   24    6 o   78.544   25.738   22.795   16.142   12.000   24.617   30.938   21.381   74.119   30.283   90.078   29.626 -15.95828 42.36445 
1 1 1  -26   24    7 o   53.386   21.554   5.7539   12.300   3.9541   26.559   6.2453   13.877   69.630   30.092   56.188   22.822 13.44230 37.76746 
1 1 1  -26   24    8 o  155.351   12.288   86.229   13.104  110.683   27.610   79.119   14.887  169.083   24.291  147.746   14.756 21.33717 28.42179 
1 1 1  -26   24    9 o  146.227   14.290   77.770   14.277   70.341   28.793   80.192   16.441  126.926   32.604  147.407   16.392 -20.48108 36.49261 
1 1 1  -26   24   10 o   50.322   20.826   4.6259   11.838   29.298   28.787  -0.3957   12.987   85.417   33.465   47.277   20.727 38.14038 39.36431 
1 1 1  -26   24   11 o   76.790   21.962   24.043   12.260   35.732   30.214   21.738   13.414   88.464   34.388   73.020   23.426 15.44421 41.60935 
1 1 1  -26   24   12 o   36.737   17.428 -11.2800   11.925  -4.1327   29.385 -12.6892   13.048   62.031   28.751   38.028   18.095 24.00319 33.97186 
1 1 1  -26   24   13 o   62.606   25.905   13.354   18.310 -59.5122   28.561   64.205   23.859   43.543   21.842  114.638   29.796 -71.09473 36.94426 
1 1 1  -26   24   14 o   60.556   23.253   15.035   13.689   69.610   28.667  -1.0848   15.580  108.614   34.182   47.647   21.653 60.96665 40.46343 
1 1 1  -26   24   15 o   63.641   23.822   18.948   14.151 -51.9024   30.160   38.950   16.025   44.301   22.252   88.685   25.020 -44.38414 33.48357 
1 1 1  -26   24   16 o   52.141   22.180   10.323   14.009 -28.1415   29.440   21.582   15.928   46.709   23.233   63.482   24.887 -16.77287 34.04637 
1 1 1  -26   26    1 o  177.054   12.860  110.605   15.651  106.679   21.892  114.709   22.385  172.049   18.685  178.587   18.372 -6.537918 26.20456 
1 1 1  -26   26    2 o  386.331   7.3392  519.037   19.624  503.063   27.119  536.596   28.432  379.430   10.327  391.813   10.485 -12.38342 14.71644 
1 1 1  -26   26    3 o  258.411   12.689  234.746   22.695  234.746   22.695   0.0000   0.0000  258.411   12.689  ?   ?  0.000000 12.68919 
1 1 1  -26   26    4 o  115.999   19.919   49.762   15.415   53.737   21.402   45.477   22.223  118.007   26.813  107.835   29.101 10.17193 39.57040 
1 1 1  -26   26    5 o  195.959   11.464  135.495   15.481   91.418   22.224  177.042   21.577  157.150   20.955  223.055   14.048 -65.90475 25.22804 
1 1 1  -26   26    6 o  113.818   16.942   47.554   12.939   54.537   25.674   45.177   14.980  115.517   31.323  109.491   20.522 6.026115 37.44738 
1 1 1  -26   26    7 o  138.979   13.778   69.561   13.078   58.585   27.481   72.774   14.870  117.841   32.596  141.496   15.434 -23.65478 36.06551 
1 1 1  -26   26    8 o   71.998   22.675   19.892   12.613  -1.1512   27.422   25.537   14.204   66.125   29.496   80.490   23.821 -14.36552 37.91391 
1 1 1  -26   26    9 o   35.182   16.914 -15.8051   12.055   2.6010   27.665 -20.1194   13.394   67.445   29.882   35.732   17.337 31.71326 34.54674 
1 1 1  -26   26   10 o  103.536   17.617   40.984   12.172   3.5127   29.055   48.960   13.405   67.881   30.315  113.324   17.666 -45.44318 35.08701 
1 1 1  -26   26   11 f   70.633   22.027   20.320   11.934   9.7366   29.400   22.408   13.058   69.930   30.902   73.646   23.053 -3.716766 38.55353 
1 1 1  -26   26   12 o   60.753   22.116   14.210   12.051   49.220   29.559   7.2306   13.198   95.581   34.660   53.324   22.023 42.25668 41.06504 
1 1 1  -26   26   13 o   85.297   21.309   31.179   12.543   80.390   28.988   19.842   13.913  122.537   33.307   67.569   23.863 54.96862 40.97321 
1 1 1  -26   26   14 o   47.413   21.181   1.3708   14.195 -13.4683   28.507   6.2634   16.369   53.692   25.861   53.388   23.342 0.3033981 34.83742 
1 1 1  -26   26   15 o   45.080   20.741  -1.4621   14.887   20.985   26.728 -11.5578   17.925   65.134   29.083   43.250   20.749 21.88454 35.72602 
1 1 1  -26   28    1 o   65.544   25.572   10.914   16.755 -25.1854   28.875   29.239   20.573   58.936   27.702   88.756   29.054 -29.82022 40.14445 
1 1 1  -26   28    2 o  162.623   13.879   94.040   15.472   78.979   21.499  110.222   22.284  145.986   21.958  174.320   18.766 -28.33389 28.88397 
1 1 1  -26   28    3 f  124.213   18.242   56.461   15.215   62.416   20.632   49.362   22.528  128.341   24.113  112.108   28.862 16.23324 37.60881 
1 1 1  -26   28    4 o   85.696   23.685   28.104   14.516   48.569   20.454   7.3365   20.604  111.471   26.834   66.175   27.439 45.29591 38.37914 
1 1 1  -26   28    5 o   99.090   23.548   37.964   15.911   18.668   24.771   51.519   20.761   79.088   31.027  114.343   26.716 -35.25468 40.94360 
1 1 1  -26   28    6 o  198.463   10.109  138.898   13.839  101.512   26.996  152.227   16.119  162.045   24.864  207.324   11.276 -45.27878 27.30155 
1 1 1  -26   28    7 o  162.796   11.929   94.586   13.347   60.146   26.692  106.067   15.412  118.925   31.809  171.939   13.048 -53.01367 34.38095 
1 1 1  -26   28    8 o  118.167   17.781   52.462   14.092   53.171   27.795   52.217   16.349  109.292   33.538  116.092   21.126 -6.799927 39.63737 
1 1 1  -26   28    9 o   45.577   19.925  -0.2776   11.926   25.702   27.422  -6.3372   13.244   82.107   32.506   43.094   19.729 39.01277 38.02498 
1 1 1  -26   28   10 o   69.918   21.942   19.601   11.821   22.795   27.877   18.901   13.053   78.376   32.147   68.970   23.163 9.405342 39.62265 
1 1 1  -26   28   11 f   91.548   20.230   33.945   12.477   16.971   29.092   37.771   13.811   73.095   31.542   95.945   21.349 -22.85023 38.08817 
1 1 1  -26   28   12 o  127.469   20.680   66.594   17.619   35.463   28.173   86.591   22.580   83.275   32.955  142.273   23.770 -58.99774 40.63271 
1 1 1  -26   28   13 o   57.364   22.058   12.582   12.329   36.893   27.210   6.3018   13.830   81.461   32.339   51.802   22.037 29.65901 39.13394 
1 1 1  -26   28   14 o   59.471   23.678   14.696   14.625 -35.1951   29.413   31.083   16.857   47.721   23.649   78.150   26.322 -30.42901 35.38514 
1 1 1  -26   28   15 o   54.870   22.465   12.422   13.582   49.707   27.163  -0.0079   15.684   82.840   32.493   46.363   21.315 36.47715 38.86064 
1 1 1  -26   30    1 o  229.480   12.237  186.050   19.365  189.925   23.457  177.756   34.317  230.799   14.762  218.739   23.013 12.06012 27.34054 
1 1 1  -26   30    2 o   99.324   22.006   37.470   14.729   45.592   20.190   28.228   21.537  107.901   27.078   87.110   29.750 20.79118 40.22827 
1 1 1  -26   30    3 o  226.738   10.129  180.358   15.895  152.746   21.981  210.620   23.012  206.263   15.511  243.292   13.722 -37.02864 20.70988 
1 1 1  -26   30    4 o  188.192   13.146  126.227   17.015  116.341   26.282  133.359   22.325  176.119   22.044  191.627   17.009 -15.50807 27.84360 
1 1 1  -26   30    5 o  206.935   9.8047  150.501   14.043  153.707   26.682  149.272   16.515  204.056   19.115  205.121   11.681 -1.064285 22.40193 
1 1 1  -26   30    6 o   41.196   19.004  -8.1636   12.614 -39.6049   26.189   1.3342   14.394   48.857   23.825   51.788   22.267 -2.931931 32.61042 
1 1 1  -26   30    7 o   89.955   21.016   31.585   12.848   17.122   27.263   35.715   14.567   77.221   31.746   95.101   22.486 -17.87936 38.90278 
1 1 1  -26   30    8 o   56.561   22.702   8.1300   13.556   46.044   27.343  -4.2267   15.610  101.002   33.517   48.665   21.937 52.33735 40.05745 
1 1 1  -26   30    9 o   55.881   21.723   9.4116   12.058 -28.2976   26.398   19.354   13.555   51.342   24.768   70.037   23.604 -18.69432 34.21360 
1 1 1  -26   30   10 f   31.510   15.521 -22.6802   12.005 -22.1268   27.198 -22.8141   13.378   53.619   25.680   34.068   16.701 19.55114 30.63328 
1 1 1  -26   30   11 o   38.359   17.912  -7.9348   11.743   10.893   27.650 -12.0780   12.971   67.813   29.967   38.110   18.107 29.70250 35.01319 
1 1 1  -26   30   12 o   88.329   20.309   32.652   12.156   77.220   26.672   20.967   13.657  123.940   31.134   69.353   23.691 54.58779 39.12256 
1 1 1  -26   30   13 f   41.552   19.056  -3.5575   12.431 -50.9756   28.428   7.6519   13.822   44.091   22.069   52.641   22.194 -8.550068 31.29878 
1 1 1  -26   30   14 o   59.028   24.707   14.113   16.930 -14.9463   30.190   27.444   20.448   52.976   25.777   71.161   28.103 -18.18494 38.13450 
1 1 1  -26   30   15 o   33.496   16.593 -23.1139   14.432  -4.7449   27.117 -30.3736   17.047   51.810   25.020   34.795   17.367 17.01492 30.45680 
1 1 1  -26   32    1 o  171.408   12.971  104.664   15.274  120.571   21.888   89.564   21.325  181.941   17.602  155.281   20.331 26.66032 26.89195 
1 1 1  -26   32    2 f  134.441   16.056   65.726   14.644   43.656   20.323   89.561   21.120  104.653   27.645  155.249   20.130 -50.59635 34.19757 
1 1 1  -26   32    3 o   81.718   21.677   25.673   12.461   39.102   25.109   21.284   14.354   98.233   32.095   75.203   24.244 23.03000 40.22313 
1 1 1  -26   32    4 o  141.679   16.405   73.416   15.789   48.927   25.402   88.834   20.156  108.180   31.810  154.523   19.265 -46.34254 37.18909 
1 1 1  -26   32    5 o   48.866   22.412  -8.7857   17.197   7.0976   24.189 -25.0195   24.454   68.296   29.101   51.612   24.618 16.68406 38.11692 
1 1 1  -26   32    6 o  120.339   16.191   53.556   13.143   90.244   27.601   42.797   14.947  148.737   27.835  104.964   21.302 43.77268 35.05133 
1 1 1  -26   32    7 o   44.976   20.217  -3.7794   13.149   11.444   26.412  -8.7952   15.161   71.789   30.495   44.999   20.785 26.79029 36.90452 
1 1 1  -26   32    8 f   74.761   21.993   22.388   12.140   27.098   26.969   21.191   13.595   82.572   32.380   72.857   23.606 9.714989 40.07151 
1 1 1  -26   32    9 o   50.256   21.169   4.0978   12.556  -3.7590   26.796   6.3084   14.213   61.334   28.073   54.588   22.725 6.745865 36.11823 
1 1 1  -26   32   10 o   48.667   20.531   4.0087   11.840   0.1116   27.456   4.8989   13.122   62.640   28.574   51.277   21.622 11.36337 35.83252 
1 1 1  -26   32   11 o   74.636   26.859   24.988   17.705  -2.6459   27.918   43.577   22.898   60.286   27.972   93.175   30.660 -32.88875 41.50260 
1 1 1  -26   32   12 o   50.202   20.869   6.5553   11.963   32.883   26.374  -0.2643   13.423   78.883   31.663   45.838   20.528 33.04486 37.73537 
1 1 1  -26   32   13 o   51.935   21.714   8.0975   13.057   4.3576   28.763   9.0682   14.653   60.230   28.095   54.151   22.842 6.079224 36.20872 
1 1 1  -26   32   14 o   43.597   20.155  -2.5240   14.304  -8.3171   27.779  -0.4337   16.687   52.614   25.388   47.475   21.885 5.139481 33.51863 
1 1 1  -26   34    1 o   81.980   25.631   26.114   16.148   13.356   19.543   53.561   28.665   69.362   27.448  112.190   33.986 -42.82877 43.68545 
1 1 1  -26   34    2 o  175.115   10.914  108.658   13.162   98.195   26.814  111.980   15.108  158.739   25.252  177.187   12.398 -18.44804 28.13122 
1 1 1  -26   34    3 o   53.666   21.540   6.4248   12.205   51.171   24.634  -8.1326   14.051  110.459   30.972   43.972   20.201 66.48691 36.97724 
1 1 1  -26   34    4 o   33.923   16.427 -17.9665   11.882 -35.5707   25.240 -12.9546   13.467   48.770   23.694   39.785   18.767 8.984730 30.22580 
1 1 1  -26   34    5 o   70.222   22.231   18.935   12.111   3.9663   25.106   23.475   13.826   66.440   28.981   77.220   23.647 -10.78002 37.40484 
1 1 1  -26   34    6 o  117.189   16.000   51.033   12.638   47.273   27.391   52.050   14.245  102.626   33.522  117.273   18.136 -14.64641 38.11335 
1 1 1  -26   34    7 o   71.561   22.704   20.288   12.626   37.180   26.927   15.527   14.295   91.584   33.101   65.595   24.055 25.98882 40.91802 
1 1 1  -26   34    8 o  112.015   16.854   47.697   12.661   60.780   26.928   43.983   14.346  113.797   32.549  105.371   20.409 8.426460 38.41817 
1 1 1  -26   34    9 o   75.676   22.389   23.768   12.550   18.624   27.776   25.088   14.067   74.034   31.351   77.122   23.892 -3.088112 39.41714 
1 1 1  -26   34   10 o   50.112   20.915   5.4079   12.084   28.161   26.487  -0.5727   13.580   78.699   31.681   46.732   20.808 31.96705 37.90343 
1 1 1  -26   34   11 o   57.510   21.708   12.491   11.802   61.756   27.522   1.3901   13.065  106.080   33.506   47.003   20.694 59.07733 39.38077 
1 1 1  -26   34   12 o   33.683   16.459 -18.4773   12.684   0.0000   0.0000 -18.4773   12.684  ?   ?    33.683   16.459 0.000000 16.45928 
1 1 1  -26   34   13 o   61.520   23.080   17.024   13.297   9.8244   25.714   19.652   15.536   60.252   27.550   64.563   24.777 -4.310863 37.05254 
1 1 1  -26   34   14 o   68.546   23.697   24.109   13.679   28.663   25.357   22.240   16.245   67.711   29.333   64.827   25.211 2.883186 38.67844 
1 1 1  -26   36    1 o   43.861   19.856  -5.2501   12.948 -16.6927   25.427  -1.2445   15.044   56.227   26.290   50.561   22.234 5.665928 34.43159 
1 1 1  -26   36    2 o   53.078   22.022   4.6356   13.284 -10.6390   24.759   10.810   15.742   58.160   26.754   62.522   24.668 -4.362247 36.39108 
1 1 1  -26   36    3 o   54.600   24.578  -4.5856   19.516   3.6429   25.716 -15.7610   29.969   66.960   29.267   61.544   28.697 5.415852 40.98870 
1 1 1  -26   36    4 o  167.662   11.097  100.254   12.805   61.902   26.541  111.888   14.618  119.255   31.636  176.714   12.024 -57.45878 33.84389 
1 1 1  -26   36    5 o   36.321   17.279 -13.0180   11.882 -17.1951   24.833 -11.7779   13.531   54.419   25.614   40.261   18.937 14.15777 31.85405 
1 1 1  -26   36    6 o   95.674   27.850   39.276   19.558 -12.9902   27.066   96.390   28.293   58.332   27.224  151.222   28.066 -92.88938 39.10051 
1 1 1  -26   36    7 o  105.190   18.065   42.647   12.678   45.210   26.297   41.870   14.471   98.117   32.877  102.375   21.124 -4.257896 39.07844 
1 1 1  -26   36    8 o   62.694   22.263   14.994   12.126 -30.1854   26.970   26.440   13.575   50.608   24.565   79.499   23.220 -28.89127 33.80185 
1 1 1  -26   36    9 o   54.474   21.493   9.2473   11.950   9.2634   25.831   9.2429   13.479   65.976   29.070   55.948   22.573 10.02810 36.80487 
1 1 1  -26   36   10 o   43.404   20.490 -11.0618   16.109 -20.6732   25.240  -4.4560   20.925   50.446   24.307   52.897   24.428 -2.451168 34.46057 
1 1 1  -26   36   11 o   38.454   17.837  -5.7340   11.341  -2.0171   26.100  -6.5991   12.592   57.518   26.807   40.020   18.641 17.49769 32.65154 
1 1 1  -26   36   12 o   34.653   16.861 -16.6953   12.915 -43.2049   25.622  -7.6648   14.954   42.669   21.296   42.351   19.916 0.3171692 29.15754 
1 1 1  -26   36   13 o   46.008   19.970   4.3264   11.799   26.537   25.663  -1.6270   13.287   68.370   29.564   43.011   19.717 25.35924 35.53574 
1 1 1  -26   38    1 o   95.830   18.767   35.136   12.002   42.659   25.143   32.916   13.658   99.075   32.103   91.291   21.898 7.784225 38.86010 
1 1 1  -26   38    2 o   90.882   20.190   32.155   12.369   29.307   25.253   33.053   14.188   85.631   31.868   91.077   22.612 -5.446114 39.07521 
1 1 1  -26   38    3 o   68.886   23.386   18.058   13.307   50.537   25.246   5.5637   15.658  106.862   31.788   56.644   23.738 50.21772 39.67312 
1 1 1  -26   38    4 o   62.239   23.127   13.268   13.289   46.634   25.610   0.9736   15.546  101.806   32.339   52.358   22.823 49.44825 39.58129 
1 1 1  -26   38    5 o   38.230   17.833  -8.7041   11.589 -19.8780   23.242  -5.0066   13.370   50.819   24.173   44.143   20.060 6.675449 31.41206 
1 1 1  -26   38    6 o   53.024   21.484   6.9338   12.267 -19.3024   24.593   15.623   14.153   52.318   24.880   65.081   23.925 -12.76331 34.51645 
1 1 1  -26   38    7 o  118.357   16.557   53.351   13.192   60.634   27.079   51.085   15.106  111.966   32.820  113.543   19.950 -1.576546 38.40821 
1 1 1  -26   38    8 o   39.122   18.164  -7.1217   11.801 -17.3317   26.564  -4.6112   13.172   54.050   25.747   43.292   19.765 10.75822 32.45826 
1 1 1  -26   38    9 o   56.975   21.954   11.469   12.231   18.332   25.691   9.4579   13.909   70.602   30.035   56.056   22.817 14.54609 37.71872 
1 1 1  -26   38   10 o   43.700   19.380   0.0754   11.664   15.171   25.605  -3.8771   13.102   66.881   29.218   42.847   19.619 24.03322 35.19367 
1 1 1  -26   38   11 o   54.292   21.268   10.842   11.625   36.571   28.555   5.7305   12.727   79.221   32.520   49.657   21.133 29.56469 38.78289 
1 1 1  -26   38   12 o   66.411   29.298   21.015   26.319   21.015   26.319   0.0000   0.0000   66.411   29.298  ?   ?  0.000000 29.29815 
1 1 1  -26   38   13 o   59.016   23.047   16.493   13.619   1.3093   24.155   23.570   16.490   53.059   25.061   66.213   25.497 -13.15410 35.75129 
1 1 1  -26   40    1 o   45.803   19.765   0.8747   11.423 -28.1951   23.199   10.179   13.125   47.799   23.098   58.262   22.660 -10.46297 32.35728 
1 1 1  -26   40    2 o   45.661   20.948  -7.0660   15.038 -16.4878   23.536  -0.5657   19.549   52.804   24.879   56.386   25.044 -3.582592 35.30074 
1 1 1  -26   40    3 o  104.481   16.862   41.342   11.778   76.488   26.615   32.783   13.134  132.521   29.748   90.587   21.306 41.93398 36.59093 
1 1 1  -26   40    4 f   64.227   23.085   15.289   13.075   43.146   25.873   5.7348   15.152   96.585   32.610   55.495   23.309 41.08936 40.08384 
1 1 1  -26   40    5 o   60.653   24.025   11.402   14.987   12.961   24.991   10.527   18.728   69.717   29.640   63.082   26.158 6.635273 39.53210 
1 1 1  -26   40    6 o   58.390   22.940   10.852   13.560   6.2195   24.709   12.848   16.220   64.416   28.405   62.709   24.945 1.707619 37.80344 
1 1 1  -26   40    7 o   49.871   21.615   2.5290   13.782  -7.1512   25.206   6.6573   16.461   56.992   26.489   56.585   24.056 0.4073410 35.78215 
1 1 1  -26   40    8 o  112.099   18.935   50.280   14.167   57.122   27.415   47.787   16.548  103.895   33.507  105.664   23.258 -1.769913 40.78812 
1 1 1  -26   40    9 o   43.724   20.515  -8.9424   15.716  -3.6961   24.132 -12.8065   20.711   55.882   25.955   48.235   22.907 7.647125 34.61760 
1 1 1  -26   40   10 o   50.318   20.757   7.1908   11.705 -10.0488   24.677   12.195   13.296   52.531   24.964   57.197   22.638 -4.665798 33.69951 
1 1 1  -26   40   11 o   37.343   17.686  -8.8521   12.184  -4.3205   26.077 -10.1175   13.780   54.671   25.887   39.177   18.629 15.49387 31.89319 
1 1 1  -26   40   12 o   85.014   22.124   34.027   13.143   49.659   26.326   28.838   15.168   85.001   32.340   74.639   24.970 10.36163 40.85833 
1 1 1  -26   42    1 o   86.000   20.137   29.415   11.775   50.732   25.111   23.406   13.331  104.734   31.827   75.753   23.224 28.98107 39.39949 
1 1 1  -26   42    2 o   67.270   21.717   17.871   11.514   21.512   23.564   16.729   13.197   75.787   30.092   66.065   23.251 9.721603 38.02815 
1 1 1  -26   42    3 o   65.953   21.793   17.110   11.565   13.259   23.557   18.332   13.274   68.945   29.016   68.129   23.356 0.8167191 37.24835 
1 1 1  -26   42    4 o   95.581   18.686   35.871   11.918   39.185   24.446   34.837   13.651   91.452   31.676   92.334   21.724 -0.8818283 38.40939 
1 1 1  -26   42    5 o   41.174   18.760  -4.4637   11.792   32.868   24.785 -15.3859   13.406   84.409   31.540   37.393   17.941 47.01608 36.28568 
1 1 1  -26   42    6 o   56.755   22.818   9.7451   13.722 -19.0829   25.294   21.766   16.334   51.962   24.855   71.866   25.805 -19.90411 35.82804 
1 1 1  -26   42    7 o   61.746   23.183   14.661   13.422   33.302   25.868   7.7931   15.701   82.278   31.864   56.193   23.671 26.08590 39.69459 
1 1 1  -26   42    8 o   88.257   31.684   41.259   24.624   41.259   24.624   0.0000   0.0000   88.257   31.684  ?   ?  0.000000 31.68440 
1 1 1  -26   42    9 o   75.994   23.176   26.092   13.298   14.390   24.199   31.155   15.917   64.909   28.380   81.087   25.462 -16.17795 38.12799 
1 1 1  -26   42   10 o   46.606   20.464   2.7422   12.702   15.995   24.159  -2.3204   14.932   64.328   28.235   45.590   20.900 18.73764 35.12847 
1 1 1  -26   42   11 o   64.068   23.708   19.538   13.938   30.234   23.036   13.361   17.505   72.245   29.380   58.301   24.797 13.94418 38.44580 
1 1 1  -26   42   12 o   36.167   17.460 -12.0408   13.175 -14.7268   25.172 -11.0275   15.461   47.530   23.217   39.746   19.120 7.783848 30.07702 
1 1 1  -26   44    1 o   67.328   24.550   17.629   14.859   10.922   23.095   22.366   19.410   66.327   28.353   74.134   27.870 -7.806534 39.75733 
1 1 1  -26   44    2 o   75.635   21.201   23.414   11.545   79.854   24.234   6.8446   13.131  136.049   26.690   53.517   22.020 82.53191 34.60110 
1 1 1  -26   44    3 o  107.296   16.524   44.137   11.877   58.683   23.999   39.419   13.668  112.108   30.236   98.669   20.676 13.43924 36.62969 
1 1 1  -26   44    4 o   78.253   22.198   25.668   12.578   19.039   25.126   27.885   14.530   72.388   30.181   80.508   24.153 -8.119957 38.65599 
1 1 1  -26   44    5 o   52.398   21.085   7.8061   11.728   24.980   25.151   3.0343   13.257   76.159   30.797   49.379   21.301 26.77988 37.44532 
1 1 1  -26   44    6 o  130.080   14.330   63.864   12.687   8.7073   25.398   82.202   14.645   64.272   28.546  147.557   14.529 -83.28443 32.03055 
1 1 1  -26   44    7 o   49.235   20.682   5.3585   11.932   8.5561   24.547   4.3692   13.653   62.724   27.949   50.337   21.666 12.38760 35.36285 
1 1 1  -26   44    8 o   55.073   24.469   4.7095   18.678   4.0620   23.785   5.7512   30.168   58.681   26.701   63.348   29.281 -4.666405 39.62690 
1 1 1  -26   44    9 o  100.146   23.507   45.836   16.014   0.0000   0.0000   45.836   16.014  ?   ?   100.146   23.507 0.000000 23.50729 
1 1 1  -26   44   10 o   60.572   22.514   16.409   12.597 -23.0488   23.906   31.577   14.822   45.691   22.383   80.047   24.479 -34.35622 33.16988 
1 1 1  -26   44   11 o   46.775   20.564   4.5270   12.861   16.034   23.825  -0.2056   15.279   60.479   27.197   45.736   21.031 14.74301 34.37973 
1 1 1  -26   46    1 o   52.398   21.579   6.7705   12.624   0.0000   0.0000   6.7705   12.624  ?   ?    52.398   21.579 0.000000 21.57893 
1 1 1  -26   46    2 o   72.817   20.944   21.967   11.121   7.7220   24.733   25.577   12.450   64.166   28.350   77.919   22.079 -13.75368 35.93291 
1 1 1  -26   46    3 o   71.227   21.709   21.246   11.670   31.532   25.755   18.588   13.091   81.382   31.717   67.073   23.183 14.30943 39.28675 
1 1 1  -26   46    4 o   45.047   19.620   1.3702   11.466 -21.5951   24.694   7.6821   12.946   49.827   24.017   53.302   21.890 -3.474823 32.49604 
1 1 1  -26   46    5 o   39.462   18.252  -5.8675   11.751 -16.9707   23.694  -2.2455   13.533   50.107   23.991   44.981   20.337 5.126930 31.45049 
1 1 1  -26   46    6 o   46.752   20.085   3.3116   11.694 -11.6732   24.730   7.6271   13.271   52.746   25.044   52.899   21.985 -0.1521759 33.32457 
1 1 1  -26   46    7 o   44.708   20.614  -4.3495   14.815   15.434   24.644 -15.5456   18.539   65.683   28.681   43.858   21.057 21.82474 35.58088 
1 1 1  -26   46    8 f   85.690   20.559   31.921   12.037   3.4380   25.049   40.474   13.726   58.070   26.785   96.278   21.174 -38.20797 34.14353 
1 1 1  -26   46    9 o   61.099   23.309   16.678   13.698   59.415   25.503  -0.6521   16.240   98.485   32.354   47.629   21.820 50.85571 39.02491 
1 1 1  -26   46   10 o   54.036   22.455   11.318   13.843   19.005   23.673   7.3230   17.065   62.742   27.727   52.578   23.373 10.16338 36.26462 
1 1 1  -26   48    1 o   80.019   20.378   26.722   11.316  -1.9551   25.702   33.618   12.603   58.706   27.097   89.777   20.706 -31.07092 34.10275 
1 1 1  -26   48    2 o   40.423   18.774  -6.7423   12.624   0.0000   0.0000  -6.7423   12.624  ?   ?    40.423   18.774 0.000000 18.77413 
1 1 1  -26   48    3 o   70.340   22.744   21.380   12.625   51.024   26.098   12.323   14.426   97.234   32.752   59.086   23.518 38.14799 40.32119 
1 1 1  -26   48    4 f   78.288   21.344   26.342   11.883   22.571   25.902   27.347   13.374   72.111   30.391   78.587   23.073 -6.475983 38.15763 
1 1 1  -26   48    5 o   56.412   21.652   11.939   11.865   45.741   24.641   1.7357   13.537   91.215   31.790   47.580   21.000 43.63416 38.10016 
1 1 1  -26   48    6 o   34.944   16.697 -11.0956   11.355 -23.0781   23.426  -7.4154   12.983   46.488   22.640   39.947   18.712 6.541706 29.37166 
1 1 1  -26   48    7 o   68.419   22.300   21.217   12.124   32.966   25.528   17.795   13.777   76.401   30.980   63.312   23.543 13.08867 38.91067 
1 1 1  -26   48    8 o  106.485   17.248   46.620   12.277   45.434   28.241   46.896   13.633   82.609   32.899  104.517   19.565 -21.90783 38.27681 
1 1 1  -26   48    9 o   46.198   19.899   5.0473   11.536   32.341   23.438  -3.6789   13.253   72.389   29.559   41.399   19.230 30.99055 35.26385 
1 1 1  -26   50    1 o   54.018   20.953   10.329   11.199  -2.8800   24.064   13.980   12.652   55.811   25.921   59.535   22.475 -3.723999 34.30790 
1 1 1  -26   50    2 o   51.868   20.591   8.7962   11.031   16.976   24.936   6.8062   12.300   67.370   29.137   50.856   21.153 16.51356 36.00564 
1 1 1  -26   50    3 o   71.161   22.714   22.522   12.623   0.0000   0.0000   22.522   12.623  ?   ?    71.161   22.714 0.000000 22.71378 
1 1 1  -26   50    4 o   79.320   21.006   27.402   11.715   27.561   27.384   27.366   12.960   73.834   31.190   77.961   22.664 -4.127121 38.55498 
1 1 1  -26   50    5 o   56.252   21.580   12.400   11.782  -8.9756   24.582   18.775   13.425   52.383   24.900   64.855   23.383 -12.47110 34.15799 
1 1 1  -26   50    6 o   35.605   17.398 -19.1150   14.172 -22.0683   22.896 -17.2806   18.045   45.537   22.221   41.802   20.243 3.734516 30.05937 
1 1 1  -26   50    7 o   84.636   20.385   31.809   11.799   44.844   25.106   28.114   13.367   84.058   31.678   76.598   23.209 7.459778 39.26974 
1 1 1  -26   50    8 o   39.402   18.595  -6.8666   13.247   15.537   25.601 -15.0574   15.480   61.148   27.776   38.453   18.652 22.69497 33.45782 
1 1 1  -26   52    1 o   48.461   19.961   6.5735   10.804   54.439   23.120  -6.7989   12.220  100.210   30.558   38.970   18.222 61.24025 35.57915 
1 1 1  -26   52    2 o   63.531   22.169   17.700   11.985   30.439   23.979   13.458   13.838   75.371   30.213   58.485   23.111 16.88616 38.03921 
1 1 1  -26   52    3 o   61.068   21.392   16.105   11.165   11.312   24.355   17.381   12.562   61.749   27.653   62.826   22.623 -1.077637 35.72761 
1 1 1  -26   52    4 o   66.978   23.197   20.730   13.110   0.0000   0.0000   20.730   13.110  ?   ?    66.978   23.197 0.000000 23.19673 
1 1 1  -26   52    5 o   39.570   18.544  -6.4353   12.774   0.0000   0.0000  -6.4353   12.774  ?   ?    39.570   18.544 0.000000 18.54367 
1 1 1  -26   52    6 o   74.009   21.480   25.441   11.650   40.649   25.048   21.243   13.160   79.402   31.184   66.377   23.227 13.02510 38.88340 
1 1 1  -26   52    7 o   82.649   21.253   31.929   12.225   40.005   27.118   29.869   13.696   75.275   31.367   77.091   23.522 -1.815758 39.20720 
1 1 1  -26   54    1 o   59.833   21.350   15.677   11.164 -23.1171   23.771   26.654   12.645   45.767   22.399   75.629   22.497 -29.86186 31.74668 
1 1 1  -26   54    2 o   84.702   19.513   31.114   11.204   15.337   22.496   36.319   12.920   62.165   27.266   90.192   21.076 -28.02713 34.46257 
1 1 1  -26   54    3 o   72.189   21.159   23.815   11.255   25.693   23.089   23.230   12.890   69.071   28.876   69.792   23.005 -0.7208710 36.91988 
1 1 1  -26   54    4 o   52.265   20.797   10.493   11.277   31.112   24.169   4.7548   12.750   72.122   29.796   47.476   20.683 24.64539 36.27076 
1 1 1  -26   54    5 o   62.797   25.638   19.671   17.628   0.0000   0.0000   19.671   17.628  ?   ?    62.797   25.638 0.000000 25.63808 
1 1 1  -26   54    6 o   50.664   21.595   8.8734   13.327   0.0000   0.0000   8.8734   13.327  ?   ?    50.664   21.595 0.000000 21.59475 
1 1 1  -26   56    1 o   79.810   22.001   30.227   12.544   19.117   22.752   35.079   15.036   62.801   27.486   83.150   24.480 -20.34917 36.80760 
1 1 1  -26   56    2 o   51.666   20.807   10.340   11.430   8.9561   21.874   10.860   13.405   56.141   25.568   53.269   22.113 2.871960 33.80460 
1 1 1  -26   56    3 o   34.688   16.582  -9.2740   11.223  -1.2093   21.775 -12.1910   13.096   50.583   23.862   36.160   17.444 14.42331 29.55824 
1 1 1  -26   56    4 o   33.122   15.997 -11.4275   11.091 -14.3805   22.025 -10.4244   12.837   45.125   21.971   36.440   17.502 8.685459 28.08996 
1 1 1  -25    1    1 o  226.623   8.4922  178.111   13.320  168.206   18.800  188.094   18.874  219.616   12.420  232.361   11.775 -12.74548 17.11400 
1 1 1  -25    1    2 f  407.673   6.4615  575.880   18.231  556.841   25.531  595.691   26.043  400.611   9.2080  414.366   9.0810 -13.75427 12.93255 
1 1 1  -25    1    3 o  263.831   7.9867  241.381   14.584  228.146   20.880  253.988   20.378  256.184   11.776  270.392   10.889 -14.20822 16.03913 
1 1 1  -25    1    4 o  271.532   9.1229  255.894   17.145  258.810   21.446  250.732   28.538  272.855   11.356  267.609   15.474 5.245453 19.19427 
1 1 1  -25    1    5 o  232.017   9.8531  186.991   15.822  200.325   21.775  172.077   23.030  239.435   13.191  221.509   15.112 17.92577 20.05923 
1 1 1  -25    1    6 o  318.332   11.430  352.670   25.182  349.268   35.804  356.000   35.425  315.424   16.458  318.548   16.120 -3.124420 23.03716 
1 1 1  -25    1    7 o   91.458   24.047   30.851   15.423   46.926   21.623   14.202   22.006  112.144   27.956   75.912   29.392 36.23230 40.56435 
1 1 1  -25    1    8 o  106.095   23.029   41.635   16.425   45.601   23.938   38.107   22.578  110.014   30.419  101.254   30.048 8.760109 42.75727 
1 1 1  -25    1    9 o  243.486   10.933  207.033   18.424  218.786   25.878  194.951   26.236  248.853   15.096  234.464   16.268 14.38829 22.19328 
1 1 1  -25    1   10 o   95.092   27.594   34.623   19.228   15.366   31.099   46.538   24.463   83.347   34.043  108.993   30.971 -25.64601 46.02362 
1 1 1  -25    1   11 o   82.383   25.803   25.811   16.357   24.527   23.420   27.034   22.855   83.833   30.782   86.057   30.564 -2.223343 43.37873 
1 1 1  -25    1   12 o  165.199   18.952  101.291   21.277  112.719   26.506   80.585   35.678  171.861   22.850  134.811   37.080 37.04971 43.55526 
1 1 1  -25    1   13 o   80.117   27.033   25.521   17.780   53.270   26.477   2.7305   23.995  109.926   32.520   64.299   28.183 45.62622 43.03285 
1 1 1  -25    1   14 o   94.046   26.050   37.450   17.538   50.004   25.259   25.763   24.371  104.378   31.962   80.321   30.978 24.05746 44.51072 
1 1 1  -25    1   15 o   31.643   15.471 -18.6647   11.251 -21.9638   15.573 -15.0634   16.271   38.131   18.545   42.344   20.165 -4.213829 27.39599 
1 1 1  -25    1   16 o   60.029   21.699   14.223   11.572  -3.5261   16.316   32.189   16.415   48.002   21.947   83.787   25.784 -35.78493 33.86007 
1 1 1  -25    1   17 o   40.416   18.466  -3.1168   11.528   15.990   16.595 -20.9316   16.024   62.394   25.091   37.995   18.552 24.39931 31.20484 
1 1 1  -25    1   18 o   54.606   21.660   12.279   12.196   26.151   17.357  -1.2508   17.141   69.799   26.331   47.413   21.970 22.38622 34.29285 
1 1 1  -25    3    1 o  257.285   7.8261  229.499   13.936  228.539   19.517  230.498   19.905  256.516   10.993  257.598   11.165 -1.081940 15.66861 
1 1 1  -25    3    2 o  109.243   16.976   42.629   12.418   31.697   17.663   53.315   17.463   93.394   26.240  121.508   21.555 -28.11383 33.95779 
1 1 1  -25    3    3 o  346.339   6.9092  415.750   16.562  394.433   22.700  440.013   24.218  337.083   9.7298  356.016   9.8284 -18.93259 13.82993 
1 1 1  -25    3    4 o   75.972   22.877   20.541   13.018   26.922   18.123   13.739   18.710   87.190   27.136   72.288   27.322 14.90166 38.50752 
1 1 1  -25    3    5 o  133.658   18.060   63.698   16.279   57.122   19.597   78.341   29.242  125.213   23.476  145.441   30.044 -20.22736 38.12784 
1 1 1  -25    3    6 o  220.417   12.927  169.927   19.634  195.317   33.920  157.134   24.077  234.393   21.136  211.188   16.607 23.20547 26.87989 
1 1 1  -25    3    7 o  118.007   20.222   50.477   15.922   38.836   23.085   61.038   21.988  102.597   30.368  128.619   25.601 -26.02139 39.71968 
1 1 1  -25    3    8 o   46.159   21.501 -14.6731   16.753  -8.4155   24.406 -20.2496   23.039   62.024   27.735   53.794   25.110 8.229794 37.41329 
1 1 1  -25    3    9 o   93.271   25.320   32.656   16.764   14.418   22.659   54.714   24.919   75.876   29.700  119.384   30.151 -43.50881 42.32254 
1 1 1  -25    3   10 o  114.608   22.329   49.210   17.075   53.533   23.362   44.253   25.018  117.227   28.963  106.344   31.646 10.88320 42.89915 
1 1 1  -25    3   11 o  155.171   18.152   88.063   19.126   56.878   31.063  107.104   24.272  116.776   35.379  169.792   21.110 -53.01635 41.19858 
1 1 1  -25    3   12 o   76.144   28.168   20.283   19.671   13.263   25.369   30.868   31.151   74.161   30.571   91.191   35.063 -17.02994 46.51929 
1 1 1  -25    3   13 o   61.074   25.291   7.8519   17.473   25.860   27.180  -4.8320   22.810   83.471   32.569   58.397   26.403 25.07407 41.92656 
1 1 1  -25    3   14 o   61.425   22.805   13.173   12.916   33.941   32.653   9.3208   14.063   88.602   35.347   57.909   23.165 30.69324 42.26113 
1 1 1  -25    3   15 o   85.291   22.518   30.453   13.488   11.507   35.768   33.594   14.563   73.614   33.193   89.120   23.335 -15.50681 40.57443 
1 1 1  -25    3   16 o   47.863   20.221   4.3597   11.512  -5.4244   16.946   12.746   15.689   47.640   21.994   60.480   24.370 -12.83998 32.82694 
1 1 1  -25    3   17 o   51.499   20.801   8.6200   11.460   19.025   16.397  -1.3174   16.024   65.411   25.359   47.876   21.835 17.53508 33.46388 
1 1 1  -25    3   18 o   37.561   17.664  -6.3793   11.765  -6.3303   17.252  -6.4220   16.087   44.759   21.152   43.412   20.488 1.347599 29.44816 
1 1 1  -25    5    1 o  254.399   7.9306  224.398   13.964  218.477   19.926  230.111   19.574  250.755   11.481  257.388   10.988 -6.633408 15.89194 
1 1 1  -25    5    2 f  395.059   6.3962  540.799   17.489  531.432   24.293  550.877   25.198  391.377   8.9683  398.454   9.1370 -7.076416 12.80293 
1 1 1  -25    5    3 o  103.914   18.806   38.939   13.027   9.4642   17.772   73.171   19.152   66.837   26.261  143.158   19.865 -76.32018 32.92871 
1 1 1  -25    5    4 o  137.375   14.679   66.547   13.740   61.792   19.073   71.678   19.812  130.834   21.832  141.362   20.878 -10.52797 30.20766 
1 1 1  -25    5    5 o   82.451   25.769   24.034   16.324   3.8728   19.671   68.634   29.257   64.218   26.734  135.566   31.742 -71.34807 41.49963 
1 1 1  -25    5    6 o  208.494   12.969  152.127   18.621  185.610   34.272  138.102   22.181  228.169   21.974  197.946   16.336 30.22304 27.38135 
1 1 1  -25    5    7 o  232.921   11.012  188.906   17.751  197.370   26.278  181.802   24.075  236.721   16.135  227.331   15.392 9.389664 22.29935 
1 1 1  -25    5    8 o  128.596   19.347   59.746   16.686   63.674   23.827   55.966   23.376  130.498   27.260  121.945   28.251 8.553024 39.25824 
1 1 1  -25    5    9 o   81.993   25.672   24.485   16.193   17.871   22.357   31.784   23.487   78.712   29.838   93.588   31.064 -14.87623 43.07258 
1 1 1  -25    5   10 o   76.853   26.160   20.879   16.652   25.826   23.105   15.532   24.020   86.081   30.714   77.162   30.463 8.919525 43.25901 
1 1 1  -25    5   11 f   55.643   24.250  -0.5717   17.541 -24.2585   27.717   15.254   22.655   57.010   26.902   74.615   29.545 -17.60586 39.95728 
1 1 1  -25    5   12 f   68.313   25.902   14.891   16.850   45.758   24.044 -14.9008   23.621  104.713   30.992   55.021   25.596 49.69137 40.19573 
1 1 1  -25    5   13 o   53.458   24.243  -5.7115   19.400 -15.5449   25.054   9.0146   30.660   55.667   26.050   73.855   32.125 -18.18822 41.35933 
1 1 1  -25    5   14 o   81.070   23.512   27.010   13.963   32.976   32.470   25.657   15.466   87.724   35.161   78.772   25.142 8.951294 43.22478 
1 1 1  -25    5   15 o   35.390   17.085 -16.3591   12.615   11.541   35.208 -20.4688   13.512   73.211   32.979   35.165   17.140 38.04566 37.16702 
1 1 1  -25    5   16 o   54.554   21.269   10.169   11.584   12.000   17.635   8.7786   15.364   60.978   25.343   56.324   23.552 4.654167 34.59700 
1 1 1  -25    5   17 o   38.602   17.896  -5.2276   11.393  -9.0089   15.883  -1.2207   16.350   43.139   20.359   48.253   22.026 -5.114281 29.99393 
1 1 1  -25    5   18 o   31.534   15.788 -31.3169   14.595 -23.2033   16.963 -54.4390   28.636   37.379   18.419   41.867   21.111 -4.487198 28.01637 
1 1 1  -25    7    1 o  212.909   8.9182  157.263   13.142  152.181   18.371  162.589   18.806  208.779   12.775  215.846   12.644 -7.066757 17.97426 
1 1 1  -25    7    2 o  381.302   6.5250  503.836   17.220  490.028   24.191  518.018   24.517  375.772   9.3016  386.371   9.1682 -10.59821 13.06050 
1 1 1  -25    7    3 o  265.685   8.1965  244.840   15.072  247.284   20.817  242.148   21.851  266.733   11.276  263.876   11.964 2.856964 16.44085 
1 1 1  -25    7    4 o  318.443   7.4568  351.646   16.435  350.246   22.832  353.150   23.676  317.500   10.390  318.772   10.731 -1.271118 14.93686 
1 1 1  -25    7    5 o  268.637   10.021  250.758   18.632  240.949   22.112  274.780   34.602  263.079   12.144  279.392   17.990 -16.31247 21.70499 
1 1 1  -25    7    6 o  155.964   16.969   86.244   18.022  116.537   32.256   72.497   21.730  178.802   26.898  141.359   23.001 37.44298 35.39192 
1 1 1  -25    7    7 o  331.878   9.4515  382.945   21.710  313.805   38.093  416.204   26.421  297.900   18.568  345.695   11.043 -47.79541 21.60357 
1 1 1  -25    7    8 o   97.937   23.774   35.695   15.952   33.511   22.434   37.930   22.688   95.776   30.250  100.907   30.161 -5.131050 42.71730 
1 1 1  -25    7    9 o  171.307   14.103  103.875   16.573  102.295   23.016  105.576   23.883  168.059   20.192  170.596   20.648 -2.537292 28.87987 
1 1 1  -25    7   10 o  123.799   21.438   57.042   17.703   35.600   28.421   70.637   22.630   97.764   34.138  136.600   24.852 -38.83612 42.22554 
1 1 1  -25    7   11 o   93.383   27.511   34.317   18.984   38.593   23.272   25.810   32.823   98.292   30.776   89.879   35.570 8.412743 47.03589 
1 1 1  -25    7   12 o   50.017   22.664  -6.3250   16.915 -10.8212   23.583  -1.5615   24.274   56.914   26.155   62.896   27.922 -5.981819 38.25903 
1 1 1  -25    7   13 o   69.555   23.647   18.376   13.605 -15.8976   29.831   27.378   15.288   60.778   28.436   82.322   24.793 -21.54358 37.72687 
1 1 1  -25    7   14 o   52.282   22.400   3.1873   14.473 -12.6098   33.709   6.7577   16.026   64.188   30.094   57.392   24.031 6.796513 38.51170 
1 1 1  -25    7   15 o   69.556   23.105   19.970   12.993   80.244   35.274   10.509   13.975  120.522   37.915   57.991   23.128 62.53129 44.41199 
1 1 1  -25    7   16 o   73.228   23.540   23.594   13.539   45.985   32.916   19.034   14.854   88.747   35.461   66.965   24.526 21.78194 43.11636 
1 1 1  -25    7   17 o   55.270   21.338   11.750   11.572  -9.4157   16.407   32.703   16.324   43.548   20.595   81.699   25.804 -38.15070 33.01509 
1 1 1  -25    7   18 o   44.798   19.950   2.4342   12.489  -7.7922   16.269   17.107   19.487   42.745   20.300   60.741   26.007 -17.99678 32.99182 
1 1 1  -25    9    1 o  197.555   9.6532  135.471   13.199  120.186   18.121  152.745   19.264  185.208   14.246  209.059   13.384 -23.85046 19.54636 
1 1 1  -25    9    2 o  380.634   6.6439  502.120   17.503  482.523   24.202  523.608   25.343  372.857   9.3784  388.400   9.4276 -15.54343 13.29793 
1 1 1  -25    9    3 o  509.811   6.3716  900.726   22.482  841.911   30.480  970.909   33.295  492.541   8.9412  528.904   9.0956 -36.36325 12.75438 
1 1 1  -25    9    4 o  159.290   14.887   89.304   16.222  100.625   19.196   61.024   30.339  168.835   16.644  127.734   33.795 41.10076 37.67113 
1 1 1  -25    9    5 o  168.081   15.099   99.474   17.377   97.409   20.678  104.439   32.063  165.636   18.345  168.790   28.458 -3.154037 33.85850 
1 1 1  -25    9    6 o  295.432   9.7994  303.401   20.037  298.195   35.383  305.859   24.310  290.910   17.657  296.318   11.854 -5.407501 21.26719 
1 1 1  -25    9    7 f   60.783   25.588   2.4687   18.328   40.683   33.540 -13.8001   21.884  107.734   37.115   55.378   25.356 52.35562 44.94930 
1 1 1  -25    9    8 o  110.702   20.966   44.967   15.476   62.123   22.121   28.521   21.658  129.163   25.650   89.728   29.832 39.43519 39.34305 
1 1 1  -25    9    9 o  122.426   19.288   54.688   15.802   56.055   23.236   53.512   21.554  120.978   28.261  118.593   26.881 2.385315 39.00318 
1 1 1  -25    9   10 o   68.339   25.913   13.638   16.865   19.824   27.931   10.089   21.158   83.592   32.898   69.439   28.188 14.15340 43.32234 
1 1 1  -25    9   11 o  152.885   16.244   84.839   16.925   81.268   23.942   88.406   23.930  145.389   24.675  152.480   23.424 -7.091293 34.02290 
1 1 1  -25    9   12 o   69.085   22.602   17.875   12.451   21.800   29.789   17.044   13.705   83.107   33.548   68.504   23.718 14.60326 41.08532 
1 1 1  -25    9   13 o   46.187   21.024  -5.9398   14.765 -18.8829   29.192  -1.4902   17.116   58.770   27.695   52.915   23.471 5.855190 36.30283 
1 1 1  -25    9   14 o   50.300   21.373   3.3823   12.981 -30.0537   31.039   10.470   14.290   55.526   26.803   59.171   23.453 -3.645004 35.61555 
1 1 1  -25    9   15 o   70.227   23.347   20.528   13.265   59.902   34.938   13.896   14.339  102.835   37.622   61.964   23.798 40.87134 44.51669 
1 1 1  -25    9   16 o   91.611   21.815   35.978   13.633   25.327   30.821   38.568   15.201   75.103   32.437   93.455   23.520 -18.35215 40.06694 
1 1 1  -25    9   17 o   59.550   24.185   13.973   15.583   10.961   18.328   21.829   29.602   58.336   25.105   69.181   30.768 -10.84570 39.71038 
1 1 1  -25    9   18 o   46.830   20.185   5.5986   11.887   17.584   16.498  -7.3418   17.142   60.491   24.761   43.789   20.808 16.70251 32.34382 
1 1 1  -25   11    1 o  535.017   6.1773  991.859   22.874  947.756   31.306  1042.37   33.503  522.659   8.6544  548.097   8.8317 -25.43781 12.36520 
1 1 1  -25   11    2 o  230.806   8.9088  184.865   14.231  181.518   19.662  188.547   20.624  228.061   12.504  232.390   12.873 -4.328384 17.94648 
1 1 1  -25   11    3 o  132.723   14.524   62.152   13.124   58.471   18.635   65.775   18.485  127.129   21.974  135.394   20.357 -8.265358 29.95417 
1 1 1  -25   11    4 o  105.101   22.637   40.444   15.980   38.307   18.942   45.722   29.765  101.915   26.578  112.071   34.759 -10.15575 43.75603 
1 1 1  -25   11    5 o  115.377   19.156   47.991   14.760   45.989   20.428   50.177   21.350  111.390   26.819  116.347   27.030 -4.957191 38.07738 
1 1 1  -25   11    6 o  180.019   15.031  114.148   18.556   56.927   31.921  143.357   22.806  122.896   35.523  201.548   16.494 -78.65199 39.16536 
1 1 1  -25   11    7 o   44.408   21.068 -20.4659   17.432 -58.8293   31.696  -3.8314   20.871   52.614   25.775   59.821   26.250 -7.207222 36.78895 
1 1 1  -25   11    8 o   97.329   22.706   35.246   15.015   7.2047   21.602   61.458   20.886   68.758   28.261  128.738   24.332 -59.98027 37.29268 
1 1 1  -25   11    9 o   54.808   23.284   1.5143   15.401   1.3683   22.921   1.6345   20.795   65.429   28.115   62.832   26.883 2.597389 38.89878 
1 1 1  -25   11   10 o   97.974   24.187   36.842   16.302   41.913   23.795   32.356   22.380  103.009   30.910   92.174   30.310 10.83420 43.29131 
1 1 1  -25   11   11 o  193.485   12.817  133.327   17.066  109.612   24.672  155.086   23.632  171.128   21.291  206.787   16.653 -35.65945 27.03045 
1 1 1  -25   11   12 f   59.202   26.542  -3.7790   22.505   14.795   29.966 -27.8098   34.084   78.090   32.788   61.639   29.306 16.45028 43.97577 
1 1 1  -25   11   13 o   67.916   24.000   17.180   14.076   29.122   31.294   14.151   15.760   86.561   34.580   65.341   24.984 21.21955 42.66115 
1 1 1  -25   11   14 f  104.425   20.438   43.308   14.242   62.585   32.357   38.675   15.862  110.925   36.444   96.342   23.902 14.58275 43.58292 
1 1 1  -25   11   15 f   69.423   23.395   20.077   13.317 -22.1756   32.081   28.872   14.637   57.275   27.550   81.608   24.188 -24.33260 36.66135 
1 1 1  -25   11   16 o   74.025   23.696   24.449   13.731  107.951   30.761   3.6721   15.344  147.297   31.147   51.565   22.571 95.73180 38.46545 
1 1 1  -25   11   17 o   65.671   26.182   19.894   17.906   25.415   33.134   17.617   21.281   70.951   31.974   64.367   27.358 6.583855 42.08084 
1 1 1  -25   13    1 f  336.561   6.9572  392.674   16.206  370.354   22.623  416.199   23.226  326.551   10.010  346.211   9.6929 -19.66089 13.93377 
1 1 1  -25   13    2 o  291.814   7.6731  295.330   15.497  286.496   21.318  305.231   22.568  287.117   10.728  296.323   11.004 -9.206116 15.36796 
1 1 1  -25   13    3 f  315.615   7.4403  345.461   16.253  332.741   22.710  358.816   23.269  309.405   10.605  321.319   10.463 -11.91315 14.89797 
1 1 1  -25   13    4 o  231.392   11.161  186.254   17.874  189.641   21.440  178.537   32.363  232.851   13.360  224.118   21.113 8.732788 24.98465 
1 1 1  -25   13    5 o  126.070   17.852   56.856   15.141   19.294   21.151   96.339   21.685   80.179   29.282  164.351   19.440 -84.17146 35.14732 
1 1 1  -25   13    6 o  389.286   10.390  527.345   27.993  512.683   41.128  540.000   38.209  382.531   15.534  393.030   14.046 -10.49951 20.94312 
1 1 1  -25   13    7 o   82.769   27.330   23.950   18.188   6.9024   33.705   30.955   21.604   82.328   34.681   92.688   29.729 -10.36028 45.67921 
1 1 1  -25   13    8 o  139.162   16.161   69.190   15.275   89.471   22.268   51.163   20.994  156.958   21.027  116.397   26.636 40.56137 33.93545 
1 1 1  -25   13    9 o  195.824   13.404  135.628   18.057  109.951   30.648  149.281   22.348  170.725   26.822  204.609   15.906 -33.88469 31.18366 
1 1 1  -25   13   10 o  122.001   20.236   55.378   16.488   42.060   24.358   66.640   22.399  102.812   31.370  131.654   25.503 -28.84253 40.42873 
1 1 1  -25   13   11 o   99.027   19.015   36.903   12.559   30.507   30.759   38.182   13.758   91.483   34.921  100.167   20.535 -8.683624 40.51149 
1 1 1  -25   13   12 f   30.846   15.274 -26.4809   12.176   12.083   30.214 -33.9585   13.305   76.214   32.501   30.499   15.241 45.71461 35.89687 
1 1 1  -25   13   13 o   61.842   22.528   13.431   12.508   45.185   28.384   5.7788   13.934   99.380   34.149   54.443   22.569 44.93727 40.93256 
1 1 1  -25   13   14 o   96.788   21.941   38.188   14.358   69.707   32.579   30.590   15.996  116.727   36.392   84.679   25.328 32.04780 44.33821 
1 1 1  -25   13   15 o   91.796   21.880   35.340   13.705   12.834   32.033   40.382   15.162   71.040   31.771   97.547   22.857 -26.50698 39.13861 
1 1 1  -25   13   16 o   51.727   23.441  -0.0679   18.098  -2.9029   28.642   1.8163   23.350   59.315   27.787   57.618   26.309 1.696930 38.26621 
1 1 1  -25   13   17 o   50.311   22.963   0.7101   17.765   96.829   31.982 -42.1787   21.364  125.039   35.371   38.159   19.105 86.88008 40.20111 
1 1 1  -25   15    1 o  431.031   9.2333  645.029   27.545   0.0000   0.0000  645.029   27.545  ?   ?   431.031   9.2333 0.000000 9.233317 
1 1 1  -25   15    2 o  354.850   6.9843  436.585   17.153  447.896   24.057  424.887   24.465  359.101   9.6793  349.697   10.108 9.403198 13.99527 
1 1 1  -25   15    3 o  252.182   10.223  221.027   17.843  234.394   21.458  191.073   32.122  259.491   11.948  232.198   20.189 27.29356 23.45954 
1 1 1  -25   15    4 o  268.939   8.9475  251.183   16.655  247.452   22.714  255.522   24.493  266.515   12.314  270.711   13.073 -4.196747 17.95882 
1 1 1  -25   15    5 o   85.254   27.023   25.787   17.890   53.902   31.338   12.195   21.789  119.903   35.354   73.888   29.064 46.01495 45.76647 
1 1 1  -25   15    6 o  127.298   21.730   59.011   18.458   88.244   32.756   45.410   22.342  152.929   31.976  110.051   28.946 42.87702 43.13172 
1 1 1  -25   15    7 o   95.652   26.553   34.140   18.202   0.8980   34.336   47.133   21.466   79.235   34.230  111.802   27.846 -32.56726 44.12548 
1 1 1  -25   15    8 o   79.282   24.228   23.009   14.522   22.093   21.054   23.840   20.057   81.813   29.306   83.067   28.696 -1.253700 41.01576 
1 1 1  -25   15    9 o   91.323   25.676   31.812   16.906   22.912   28.400   36.697   21.040   86.782   33.449   97.567   29.018 -10.78497 44.28216 
1 1 1  -25   15   10 o  173.553   10.913  106.306   13.041  130.878   30.623  100.862   14.414  185.965   24.380  168.539   12.445 17.42583 27.37255 
1 1 1  -25   15   11 o   82.895   21.616   26.562   12.530  -7.1415   31.294   32.997   13.674   67.806   30.765   92.381   21.747 -24.57493 37.67525 
1 1 1  -25   15   12 o   58.099   22.619   9.6032   13.088 -43.2244   31.219   20.867   14.416   53.370   26.023   73.568   24.333 -20.19771 35.62686 
1 1 1  -25   15   13 o  114.515   24.840   53.867   19.121   86.341   30.230   32.209   24.687  138.997   32.075   86.834   31.647 52.16219 45.05927 
1 1 1  -25   15   14 o   53.377   22.348   5.7389   13.857  -2.4722   30.709   7.8383   15.528   64.839   29.815   57.275   23.790 7.564056 38.14346 
1 1 1  -25   15   15 o   42.828   19.678  -5.2500   13.338 -42.4585   28.886   4.8338   15.038   48.103   23.765   52.975   22.768 -4.871616 32.91153 
1 1 1  -25   15   16 o   62.109   25.833   13.999   18.345   24.463   28.570   6.6588   23.929   72.812   31.340   60.377   27.194 12.43444 41.49300 
1 1 1  -25   15   17 o   35.565   17.336 -17.4696   13.822 -73.5122   31.314  -3.9078   15.404   41.791   21.178   44.705   20.755 -2.914635 29.65229 
1 1 1  -25   17    1 o  290.924   10.956  294.327   22.060   0.0000   0.0000  294.327   22.060  ?   ?   290.924   10.956 0.000000 10.95585 
1 1 1  -25   17    2 o  169.445   12.432  100.529   14.478  107.605   20.714   93.771   20.244  174.401   17.393  162.486   18.321 11.91479 25.26247 
1 1 1  -25   17    3 o  181.238   14.098  115.336   17.546  103.535   21.247  140.634   31.109  170.796   18.257  198.029   23.134 -27.23384 29.47017 
1 1 1  -25   17    4 o   42.829   20.391 -20.8430   16.618   3.0595   28.860 -32.6994   20.326   75.233   31.913   44.348   21.478 30.88511 38.46772 
1 1 1  -25   17    5 o  258.270   19.330  236.537   34.302  236.537   34.302   0.0000   0.0000  258.270   19.330  ?   ?  0.000000 19.32992 
1 1 1  -25   17    6 o  118.891   22.922   51.997   18.178   51.951   32.138   52.018   22.042  117.341   36.073  117.771   27.535 -0.4300461 45.38072 
1 1 1  -25   17    7 o  153.599   18.049   84.587   18.822   90.098   36.311   82.562   22.010  152.145   35.184  150.564   21.752 1.581650 41.36525 
1 1 1  -25   17    8 o  217.509   12.106  166.362   18.152  159.512   28.717  170.920   23.425  210.120   19.987  219.368   15.529 -9.247757 25.31103 
1 1 1  -25   17    9 o   61.276   24.153   8.9958   15.077   11.104   21.296   6.8774   21.350   70.437   28.389   66.988   27.866 3.449547 39.77985 
1 1 1  -25   17   10 o  130.133   14.271   60.975   12.642   51.561   28.577   63.266   14.097  111.442   33.972  132.043   15.735 -20.60056 37.43912 
1 1 1  -25   17   11 o   44.309   19.645  -2.5405   11.978   56.634   30.244 -13.5498   13.045  113.979   34.986   38.705   18.322 75.27368 39.49357 
1 1 1  -25   17   12 o   43.944   19.426  -1.7970   11.629 -28.4342   31.915   2.2807   12.487   58.444   27.945   49.218   20.939 9.225647 34.91931 
1 1 1  -25   17   13 o  105.265   18.158   42.570   12.751   41.580   29.539   42.797   14.136   94.690   34.601  104.308   20.312 -9.618492 40.12211 
1 1 1  -25   17   14 o   63.845   23.674   15.320   13.912   22.844   30.712   13.378   15.604   77.905   32.977   62.654   24.611 15.25085 41.14830 
1 1 1  -25   17   15 o   36.007   17.429 -17.1346   13.344 -25.6683   26.229 -14.1545   15.500   49.936   24.236   41.011   19.572 8.924992 31.15165 
1 1 1  -25   17   16 o   47.530   20.928   2.2281   13.366   32.659   28.067  -6.6967   15.200   77.573   32.083   43.769   20.419 33.80352 38.02949 
1 1 1  -25   17   17 o   39.974   18.906  -8.1035   13.832 -19.6537   32.604  -5.5686   15.274   53.007   26.003   43.333   20.298 9.673264 32.98697 
1 1 1  -25   19    1 o  176.188   17.106  109.782   20.597  100.878   30.370  117.366   28.028  166.058   27.379  180.754   22.919 -14.69615 35.70554 
1 1 1  -25   19    2 o  423.643   7.8484  622.800   23.012  631.707   40.918  618.680   27.830  425.410   13.897  421.963   9.5295 3.446198 16.85066 
1 1 1  -25   19    3 o  329.111   11.229  377.055   25.578  324.537   35.398  434.439   37.001  303.746   16.905  352.410   15.170 -48.66379 22.71378 
1 1 1  -25   19    4 f  326.544   9.2186  370.592   20.834  349.610   35.364  381.746   25.784  315.339   16.259  331.074   11.253 -15.73459 19.77286 
1 1 1  -25   19    5 o  251.839   11.298  221.056   19.693  165.756   34.207  248.469   24.084  214.416   23.432  266.681   13.049 -52.26497 26.82026 
1 1 1  -25   19    6 o  105.462   24.474   41.486   17.519   92.878   35.350   24.753   20.171  155.554   33.800   84.722   28.792 70.83154 44.40107 
1 1 1  -25   19    7 o  200.665   11.889  141.376   16.438  147.724   24.302  136.022   22.319  203.493   17.423  195.465   16.657 8.027817 24.10406 
1 1 1  -25   19    8 o  296.623   9.5915  307.266   19.691  295.805   33.677  313.219   24.272  287.809   16.982  298.810   11.737 -11.00076 20.64289 
1 1 1  -25   19    9 o   56.961   21.781   8.8377   11.978  -8.0878   29.369   12.215   13.119   66.664   30.067   62.630   23.032 4.034969 37.87466 
1 1 1  -25   19   10 o   48.275   20.503   1.5797   11.936   11.337   26.862  -0.8208   13.324   74.693   31.180   48.470   21.129 26.22343 37.66443 
1 1 1  -25   19   11 o  141.052   14.250   72.127   13.721   60.683   31.444   74.818   15.249  116.711   35.649  143.027   15.660 -26.31590 38.93672 
1 1 1  -25   19   12 o   55.180   21.252   8.9903   11.457   34.415   29.534   4.4865   12.430   90.520   34.299   51.228   21.282 39.29202 40.36517 
1 1 1  -25   19   13 o   84.322   21.502   28.756   12.588   9.9902   28.392   33.347   14.043   70.560   30.798   90.342   22.535 -19.78142 38.16194 
1 1 1  -25   19   14 o   46.847   20.745  -0.3553   13.316   51.805   30.228 -12.9139   14.832   99.257   35.161   41.046   19.461 58.21111 40.18744 
1 1 1  -25   19   15 o   58.249   25.867   5.0391   20.846   13.005   26.703  -7.3902   33.356   67.012   29.540   61.757   29.253 5.254696 41.57324 
1 1 1  -25   19   16 o   47.341   20.954   1.9485   13.571 -18.2634   29.943   7.1737   15.225   53.633   25.998   53.443   22.937 0.1899300 34.67050 
1 1 1  -25   19   17 o   46.300   20.778   2.0447   13.828   38.122   33.629  -5.2967   15.170   73.463   32.725   43.070   20.191 30.39368 38.45280 
1 1 1  -25   21    1 o  374.964   8.0290  488.035   20.837  446.390   35.319  510.268   25.806  357.436   14.277  383.137   9.7318 -25.70123 17.27814 
1 1 1  -25   21    2 o   49.211   23.106 -19.9966   19.996 -55.8536   29.027   12.390   27.587   50.035   24.543   80.318   32.332 -30.28299 40.59208 
1 1 1  -25   21    3 o  358.026   8.8785  445.376   22.000  460.878   37.654  437.340   27.109  362.857   14.993  354.391   11.052 8.465790 18.62666 
1 1 1  -25   21    4 o  154.077   17.059   84.445   17.887   70.732   30.744   91.461   21.992  136.364   32.944  159.543   20.382 -23.17938 38.73921 
1 1 1  -25   21    5 o  255.682   11.149  227.975   19.730  228.537   36.572  227.745   23.432  252.705   21.104  254.797   13.334 -2.092499 24.96285 
1 1 1  -25   21    6 o  243.147   11.308  206.489   19.030  177.366   37.167  216.837   22.155  220.325   24.805  248.491   12.926 -28.16664 27.97090 
1 1 1  -25   21    7 o   75.038   24.666   19.988   14.822   9.7103   22.583   27.766   19.645   71.404   29.070   87.175   28.385 -15.77164 40.62939 
1 1 1  -25   21    8 o  264.804   8.1879  244.459   15.006  247.366   33.200  243.713   16.823  261.904   18.433  264.143   9.2020 -2.238861 20.60218 
1 1 1  -25   21    9 o  111.273   16.794   45.367   12.531   44.498   27.484   45.595   14.079  104.778   33.524  110.718   19.061 -5.940552 38.56395 
1 1 1  -25   21   10 o   49.523   20.738   2.9188   11.937   24.576   28.085  -1.8559   13.187   85.098   33.134   47.213   20.788 37.88446 39.11526 
1 1 1  -25   21   11 o   54.626   21.460   7.8759   11.866   43.083   29.909   1.2992   12.927   99.613   35.007   49.172   21.121 50.44101 40.88458 
1 1 1  -25   21   12 o   56.286   21.435   9.8733   11.572   62.244   29.581   0.4106   12.574  115.649   34.410   47.325   20.579 68.32367 40.09420 
1 1 1  -25   21   13 o  104.693   18.122   42.444   12.656   60.585   30.004   38.518   13.958  110.405   34.996   97.751   21.239 12.65386 40.93649 
1 1 1  -25   21   14 o   42.336   19.449  -5.4993   13.023 -38.7902   29.757   2.3872   14.483   50.288   24.704   50.543   22.031 -0.2554436 33.10037 
1 1 1  -25   21   15 o   37.776   18.332 -18.8664   14.999   29.488   29.784 -35.2970   17.362   77.394   32.602   35.648   17.750 41.74562 37.12046 
1 1 1  -25   21   16 o   37.655   18.004 -11.7503   13.243 -40.5658   30.718  -5.1721   14.677   47.979   23.844   43.522   20.223 4.457306 31.26494 
1 1 1  -25   21   17 o   38.977   18.703 -11.0731   14.582 -70.5366   30.493   6.5560   16.603   40.626   20.620   51.612   22.992 -10.98584 30.88437 
1 1 1  -25   23    1 o  297.733   8.0137  307.784   16.513  274.897   23.499  339.871   23.211  280.782   12.092  312.456   10.733 -31.67389 16.16835 
1 1 1  -25   23    2 o   55.300   23.969  -1.6477   16.949   13.491   20.798 -31.5854   29.246   73.840   28.578   58.100   27.483 15.73915 39.64879 
1 1 1  -25   23    3 f  217.566   12.433  165.763   18.643  159.902   22.438  178.829   33.503  213.018   15.322  223.311   21.961 -10.29250 26.77759 
1 1 1  -25   23    4 o  166.794   13.547   97.982   15.503  101.425   21.805   94.462   22.048  168.322   19.052  162.070   20.086 6.251801 27.68453 
1 1 1  -25   23    5 o   52.159   24.085 -14.7226   20.339 -14.7226   20.339   0.0000   0.0000   52.159   24.085  ?   ?  0.000000 24.08540 
1 1 1  -25   23    6 o   44.097   20.208  -8.9795   13.941  -3.7490   19.545 -14.3969   19.891   57.352   25.277   51.405   23.766 5.946507 34.69522 
1 1 1  -25   23    7 o   45.589   21.116 -11.9000   15.809 -19.3122   24.495  -6.6087   20.696   55.607   25.934   56.867   25.477 -1.259823 36.35486 
1 1 1  -25   23    8 o   54.497   21.769   6.3110   12.401 -34.6878   25.675   18.785   14.162   50.694   24.448   72.294   24.128 -21.59960 34.34919 
1 1 1  -25   23    9 o  155.628   12.336   86.219   13.179   90.439   29.196   85.139   14.769  150.656   29.053  154.029   14.007 -3.373245 32.25304 
1 1 1  -25   23   10 o  167.568   12.180  100.245   14.029  142.927   29.291   87.538   15.981  193.861   22.233  155.269   15.061 38.59132 26.85361 
1 1 1  -25   23   11 o   59.606   21.663   12.068   11.556   15.327   28.679   11.436   12.627   76.467   32.090   59.734   22.474 16.73276 39.17691 
1 1 1  -25   23   12 o   64.048   22.304   15.364   12.128 -20.6537   30.666   22.042   13.204   58.855   27.928   74.071   23.181 -15.21544 36.29482 
1 1 1  -25   23   13 o  153.796   12.331   86.216   13.016  148.000   31.174   73.172   14.324  189.253   24.366  139.915   15.027 49.33768 28.62684 
1 1 1  -25   23   14 o  161.987   16.812  101.203   18.574  177.610   31.253   59.482   23.094  207.678   22.082  111.925   29.424 95.75211 36.78857 
1 1 1  -25   23   15 o   48.037   22.241  -5.0211   17.513   0.0000   0.0000  -5.0211   17.513  ?   ?    48.037   22.241 0.000000 22.24078 
1 1 1  -25   23   16 o   45.825   20.625   0.4863   13.738 -32.3512   29.714   9.4136   15.493   48.628   24.039   54.780   23.315 -6.152321 33.48802 
1 1 1  -25   25    1 o  257.570   13.095  232.444   23.267   0.0000   0.0000  232.444   23.267  ?   ?   257.570   13.095 0.000000 13.09481 
1 1 1  -25   25    2 o  136.404   17.028   66.461   15.726   28.236   21.240  112.830   23.394   89.446   29.534  177.612   19.343 -88.16592 35.30476 
1 1 1  -25   25    3 o   55.724   23.054   3.6129   14.499   25.894   19.507 -23.8915   21.673   85.718   28.303   49.927   23.629 35.79123 36.86980 
1 1 1  -25   25    4 o  311.672   8.0866  337.699   17.444  332.188   24.375  343.484   24.974  308.418   11.419  313.597   11.506 -5.178162 16.21083 
1 1 1  -25   25    5 o  213.009   15.104  160.663   22.123   0.0000   0.0000  160.663   22.123  ?   ?   213.009   15.104 0.000000 15.10439 
1 1 1  -25   25    6 o  177.892   13.628  112.064   16.652  115.219   25.548  109.733   21.957  177.613   21.202  174.380   18.474 3.232361 28.12105 
1 1 1  -25   25    7 o  180.197   10.787  114.254   13.391  109.463   27.650  115.723   15.306  170.965   24.031  180.911   12.297 -9.945969 26.99487 
1 1 1  -25   25    8 o  182.207   10.778  117.111   13.531  110.049   28.619  119.144   15.356  169.771   25.115  183.313   12.173 -13.54163 27.90912 
1 1 1  -25   25    9 o  221.263   8.9367  171.635   13.686  237.707   30.422  154.871   15.324  255.397   17.313  209.375   10.609 46.02168 20.30490 
1 1 1  -25   25   10 o   41.801   18.849  -4.3445   11.536   10.215   27.121  -7.5605   12.746   72.678   30.888   41.760   19.205 30.91830 36.37142 
1 1 1  -25   25   11 o   85.035   20.290   28.368   11.775   26.805   29.066   28.675   12.879   84.214   33.427   84.886   21.807 -0.6718445 39.91086 
1 1 1  -25   25   12 f  142.750   13.229   74.480   12.922   74.390   30.579   74.500   14.257  124.844   34.324  141.880   14.734 -17.03536 37.35234 
1 1 1  -25   25   13 o   58.417   22.121   11.944   12.280   76.293   28.309  -2.9700   13.629  125.948   32.316   45.366   20.469 80.58224 38.25315 
1 1 1  -25   25   14 o   53.713   21.810   8.4606   12.671   4.5849   28.278   9.4343   14.174   63.795   29.061   56.149   22.964 7.646332 37.03886 
1 1 1  -25   25   15 o   78.608   24.783   28.926   15.063   64.146   29.307   16.283   17.559  103.187   34.707   63.496   25.713 39.69072 43.19404 
1 1 1  -25   25   16 o   39.790   19.314 -16.9457   16.672 -18.8829   26.827 -15.7268   21.280   49.440   24.110   45.570   22.046 3.869690 32.67016 
1 1 1  -25   27    1 o  227.594   11.702  181.341   18.371  181.204   22.582  181.610   31.592  226.824   14.460  225.124   20.500 1.699356 25.08691 
1 1 1  -25   27    2 o  111.422   22.093   45.821   16.436   52.006   19.673   31.527   29.907  118.089   24.857   97.004   34.908 21.08540 42.85387 
1 1 1  -25   27    3 o  172.949   12.704  105.283   15.100   95.931   20.605  116.132   22.192  163.473   18.539  180.210   18.035 -16.73688 25.86432 
1 1 1  -25   27    4 o  406.281   7.9363  574.171   22.316  508.293   35.436  617.472   28.729  380.431   13.458  420.732   9.8659 -40.30090 16.68723 
1 1 1  -25   27    5 o  269.428   8.0661  252.742   15.041  199.219   29.834  270.983   17.417  235.549   18.448  278.768   9.0271 -43.21901 20.53790 
1 1 1  -25   27    6 o   71.507   25.460   17.069   15.868   40.834   24.459  -0.2029   20.851  102.268   31.475   61.152   26.546 41.11621 41.17451 
1 1 1  -25   27    7 o   47.845   20.579   0.2058   12.301 -29.7756   25.930   8.9133   13.974   52.704   25.197   59.539   23.319 -6.835526 34.33174 
1 1 1  -25   27    8 o   44.343   19.695  -3.0183   12.091  -9.1415   25.131  -1.1740   13.792   60.336   27.451   49.007   21.426 11.32863 34.82252 
1 1 1  -25   27    9 o  104.105   19.007   40.944   13.191   45.434   26.333   39.439   15.241  103.569   32.780  100.615   22.455 2.953918 39.73380 
1 1 1  -25   27   10 f   51.385   20.660   5.9841   11.249   1.3868   26.806   6.9667   12.393   66.385   29.413   54.113   21.710 12.27259 36.55756 
1 1 1  -25   27   11 o   59.513   21.949   12.122   11.926   9.5122   28.776   12.663   13.104   71.550   31.122   61.193   22.920 10.35693 38.65128 
1 1 1  -25   27   12 o  132.215   13.926   64.565   12.552   77.220   29.234   61.705   13.898  127.921   32.849  127.941   16.049 -0.2018738E-01 36.56014 
1 1 1  -25   27   13 o   68.022   26.020   18.250   17.100   36.932   26.841   5.4894   22.184   86.562   32.722   60.899   26.881 25.66278 42.34778 
1 1 1  -25   27   14 o   51.445   22.104   4.8823   14.167   0.0000   0.0000   4.8823   14.167  ?   ?    51.445   22.104 0.000000 22.10444 
1 1 1  -25   27   15 o   39.119   18.385  -7.8232   12.710 -10.8488   25.588  -6.8323   14.644   52.575   25.106   42.643   19.942 9.932293 32.06275 
1 1 1  -25   27   16 o   38.514   18.524 -12.3127   14.497  -3.0117   24.808 -17.1357   17.864   52.775   25.065   40.837   19.861 11.93799 31.97979 
1 1 1  -25   29    1 o  152.213   16.758   82.843   17.362   54.744   21.535  135.024   29.346  120.394   26.557  192.658   22.428 -72.26421 34.76092 
1 1 1  -25   29    2 o  155.215   13.674   85.258   14.540   85.532   19.986   84.950   21.192  153.855   19.186  152.859   20.552 0.9961243 28.11538 
1 1 1  -25   29    3 o   84.851   23.593   26.931   14.358   35.431   19.798   17.501   20.853   96.652   27.987   76.762   28.881 19.89061 40.21696 
1 1 1  -25   29    4 o   57.416   24.725   0.2778   17.801   4.7766   23.928  -5.2976   26.637   68.932   29.139   65.786   29.225 3.146111 41.27009 
1 1 1  -25   29    5 o  173.830   11.601  106.558   13.877   62.244   27.853  121.191   16.005  124.968   32.049  185.139   12.565 -60.17102 34.42411 
1 1 1  -25   29    6 o  104.747   18.204   40.547   12.718   54.244   25.046   35.788   14.764  116.340   30.669   96.893   22.454 19.44660 38.01070 
1 1 1  -25   29    7 o   70.063   22.514   18.117   12.386   35.420   25.134   12.568   14.234   94.886   32.141   63.857   23.894 31.02890 40.04906 
1 1 1  -25   29    8 o  146.286   12.776   76.622   12.806  105.756   26.839   68.035   14.572  165.657   24.117  136.619   15.696 29.03766 28.77462 
1 1 1  -25   29    9 o  100.986   18.299   38.553   12.319   58.146   26.564   33.185   13.905  116.134   32.016   91.934   22.121 24.20015 38.91522 
1 1 1  -25   29   10 o  189.773   10.300  128.029   13.478  105.805   30.414  133.460   15.034  159.156   28.665  193.255   11.289 -34.09911 30.80772 
1 1 1  -25   29   11 o  145.242   12.744   76.722   12.681  110.878   28.641   68.393   14.143  163.436   26.206  135.619   15.337 27.81705 30.36394 
1 1 1  -25   29   12 o   33.700   16.307 -16.1795   11.659 -17.3610   26.494 -15.8958   12.983   54.490   25.886   36.399   17.513 18.09143 31.25378 
1 1 1  -25   29   13 o   58.382   22.166   12.402   12.351 -16.2829   27.327   19.766   13.846   54.537   26.016   68.568   23.834 -14.03120 35.28311 
1 1 1  -25   29   14 o   61.106   23.678   14.717   14.289 -28.9512   27.118   31.500   16.812   48.914   23.936   81.432   26.237 -32.51782 35.51505 
1 1 1  -25   29   15 o   38.688   18.442 -10.8520   13.682   11.151   25.942 -19.3304   16.103   61.876   28.050   38.422   18.724 23.45443 33.72549 
1 1 1  -25   31    1 o  309.365   8.1385  333.232   17.426  332.406   25.125  333.998   24.189  307.952   11.788  308.842   11.316 -0.8908691 16.34075 
1 1 1  -25   31    2 o  161.855   13.204   92.760   14.663   56.689   20.294  132.155   21.208  122.501   24.787  192.416   16.073 -69.91531 29.54185 
1 1 1  -25   31    3 o   71.639   22.348   18.711   12.284   18.312   24.881   18.839   14.126   80.375   31.217   72.758   24.088 7.616432 39.42964 
1 1 1  -25   31    4 o  147.818   12.799   77.558   12.965   61.317   25.020   83.519   15.159  124.927   29.422  152.908   14.497 -27.98045 32.80009 
1 1 1  -25   31    5 o  119.911   19.179   53.179   15.380   87.561   24.198   29.874   19.922  152.299   23.730   88.486   28.566 63.81329 37.13662 
1 1 1  -25   31    6 o  243.204   8.5438  206.830   14.381  203.658   29.648  207.805   16.446  236.397   18.262  243.391   9.7626 -6.994095 20.70808 
1 1 1  -25   31    7 o   98.903   18.976   36.843   12.517   49.805   25.658   32.795   14.339  109.293   31.922   91.870   22.686 17.42306 39.16212 
1 1 1  -25   31    8 o   60.820   23.079   11.348   13.385  -5.0634   25.554   17.553   15.713   62.145   28.035   70.276   25.302 -8.131092 37.76451 
1 1 1  -25   31    9 o   46.910   20.216   0.8575   11.918 -17.7951   26.902   5.4122   13.294   56.932   26.753   53.578   22.113 3.353851 34.70937 
1 1 1  -25   31   10 o  119.037   15.304   52.610   12.316   7.5561   27.465   63.950   13.779   69.348   30.280  131.305   15.459 -61.95689 33.99753 
1 1 1  -25   31   11 o   83.618   20.577   28.145   11.828   12.122   26.417   32.162   13.227   70.019   30.137   88.876   21.694 -18.85750 37.13248 
1 1 1  -25   31   12 o   90.791   25.896   36.503   17.070   57.561   26.982   22.451   22.041  106.888   33.085   73.974   29.188 32.91417 44.11992 
1 1 1  -25   31   13 o   62.278   22.513   15.635   12.457   11.024   28.314   16.742   13.871   66.852   29.885   64.129   23.667 2.723091 38.12187 
1 1 1  -25   31   14 o   70.084   22.749   21.973   12.622   39.663   26.228   16.642   14.398   83.459   32.152   62.819   23.913 20.63992 40.06952 
1 1 1  -25   31   15 o   42.344   19.413  -2.3309   12.884 -23.4732   27.831   3.4359   14.535   48.918   24.003   48.576   21.584 0.3417168 32.27980 
1 1 1  -25   33    1 o  210.692   10.623  155.914   15.441  139.648   21.333  173.814   22.378  197.624   15.727  221.029   14.712 -23.40515 21.53569 
1 1 1  -25   33    2 o  103.383   17.819   39.295   12.290   34.444   25.932   40.700   13.957   95.574   32.645  104.530   20.021 -8.955589 38.29542 
1 1 1  -25   33    3 o   44.790   19.719  -2.3003   11.863 -21.3707   24.589   3.4850   13.543   54.401   25.568   53.253   22.177 1.148079 33.84613 
1 1 1  -25   33    4 o  243.089   8.5308  206.458   14.353  218.927   28.188  202.094   16.676  246.568   16.614  240.067   10.037 6.501633 19.41060 
1 1 1  -25   33    5 o   95.816   24.041   35.678   15.916   15.912   24.462   50.188   20.959   76.453   30.563  112.516   27.212 -36.06232 40.92158 
1 1 1  -25   33    6 o  124.511   14.983   56.297   12.652   90.537   26.028   45.704   14.478  152.439   25.576  110.132   19.718 42.30719 32.29457 
1 1 1  -25   33    7 o  135.942   13.663   66.721   12.681   74.244   27.177   64.627   14.338  133.870   30.067  132.807   15.916 1.063858 34.01927 
1 1 1  -25   33    8 o   63.861   22.556   14.542   12.431   16.376   26.276   14.013   14.110   75.902   31.180   64.405   23.850 11.49733 39.25621 
1 1 1  -25   33    9 o  129.669   14.298   61.641   12.618   34.917   28.081   68.402   14.125   90.330   33.607  136.160   15.250 -45.82965 36.90573 
1 1 1  -25   33   10 o   57.565   21.975   10.718   12.181   1.3761   26.545   13.210   13.710   64.301   28.827   61.947   23.394 2.353729 37.12506 
1 1 1  -25   33   11 o  103.944   24.183   45.659   17.070   50.390   27.080   42.540   21.988  100.865   33.350   95.675   29.908 5.189217 44.79629 
1 1 1  -25   33   12 f   51.083   20.912   6.6966   11.769  -5.8098   26.389   9.8016   13.149   58.082   27.031   55.981   22.397 2.101059 35.10447 
1 1 1  -25   33   13 o   96.734   20.109   38.995   13.024   33.893   27.440   40.479   14.796   80.300   32.274   96.470   22.563 -16.16964 39.37887 
1 1 1  -25   33   14 f  136.534   16.050   73.785   14.877   53.220   27.604   82.203   17.661   92.599   33.507  141.417   18.487 -48.81807 38.26895 
1 1 1  -25   33   15 o   54.408   21.928   11.943   12.705   4.7444   26.568   14.078   14.467   56.781   26.652   57.310   23.292 -0.5285339 35.39542 
1 1 1  -25   35    1 o  293.804   8.4067  301.477   17.095  282.683   30.568  310.029   20.620  280.871   15.789  297.371   10.019 -16.49963 18.69942 
1 1 1  -25   35    2 o   39.491   18.178  -7.7068   11.454   3.8502   24.285 -11.0129   12.989   67.580   28.986   40.434   18.867 27.14604 34.58584 
1 1 1  -25   35    3 o   50.415   20.862   3.5926   11.876   8.5707   26.054   2.2870   13.342   72.469   30.508   51.504   21.765 20.96549 37.47567 
1 1 1  -25   35    4 o  164.178   14.237   96.788   16.017   72.195   26.003  111.824   20.332  134.264   28.843  175.265   16.974 -41.00046 33.46676 
1 1 1  -25   35    5 o  119.153   15.154   51.705   12.215   51.122   26.180   51.867   13.810  110.449   32.242  118.456   17.359 -8.006523 36.61792 
1 1 1  -25   35    6 o   87.784   20.625   29.749   12.319   20.795   25.215   32.556   14.118   79.665   31.288   91.193   22.506 -11.52782 38.54134 
1 1 1  -25   35    7 o  118.260   17.427   52.268   13.837   37.605   26.315   57.871   16.267   94.384   32.855  123.338   19.720 -28.95417 38.31855 
1 1 1  -25   35    8 o  100.432   18.632   38.625   12.475   6.3024   27.593   46.929   13.985   69.403   30.326  110.782   18.920 -41.37848 35.74340 
1 1 1  -25   35    9 o   89.246   20.350   31.541   12.291   55.805   27.731   25.610   13.711  109.182   33.499   79.249   23.390 29.93353 40.85680 
1 1 1  -25   35   10 f   47.715   20.523   2.0622   12.235   21.112   25.015  -3.9274   14.027   75.396   30.634   45.612   20.656 29.78384 36.94732 
1 1 1  -25   35   11 o   46.259   21.542  -8.7394   16.800   18.044   26.820 -26.0362   21.553   72.287   30.718   45.088   21.902 27.19934 37.72704 
1 1 1  -25   35   12 o   38.399   17.899  -7.1848   11.644 -13.3659   26.631  -5.7239   12.947   54.484   25.904   41.648   19.226 12.83566 32.25931 
1 1 1  -25   35   13 o   46.202   19.980   3.0394   11.724   7.9463   27.412   1.9408   12.970   62.842   28.621   46.856   20.624 15.98657 35.27776 
1 1 1  -25   35   14 o   48.188   20.638   5.4237   12.278   3.4839   24.816   6.0524   14.128   56.907   26.392   50.574   21.902 6.332504 34.29682 
1 1 1  -25   37    1 f   68.913   23.235   17.145   13.135   11.873   24.677   19.229   15.516   73.238   30.167   73.053   25.240 0.1856155 39.33262 
1 1 1  -25   37    2 o  149.988   12.032   80.072   12.385   95.659   26.390   75.669   14.025  157.382   25.068  145.011   14.155 12.37100 28.78832 
1 1 1  -25   37    3 o  142.717   13.189   73.033   12.880   80.146   27.101   70.957   14.640  141.221   28.706  139.790   15.386 1.430862 32.56891 
1 1 1  -25   37    4 o  114.965   15.680   48.431   12.151   44.698   26.957   49.383   13.612  103.060   33.225  115.302   17.616 -12.24187 37.60592 
1 1 1  -25   37    5 o  150.910   12.095   81.439   12.527   70.341   26.103   84.760   14.278  130.316   29.613  153.333   13.595 -23.01740 32.58485 
1 1 1  -25   37    6 o   56.206   21.728   9.0419   12.011   20.873   24.575   5.3289   13.767   78.490   30.868   54.303   22.465 24.18750 38.17776 
1 1 1  -25   37    7 o  172.292   11.294  106.124   13.393  110.439   27.608  104.796   15.316  166.360   24.730  170.275   13.097 -3.914948 27.98395 
1 1 1  -25   37    8 o  115.617   16.236   50.120   12.634   72.439   27.695   44.256   14.197  127.242   31.594  106.482   19.998 20.75957 37.39094 
1 1 1  -25   37    9 o   53.288   21.481   7.3141   12.195 -30.1658   26.581   17.306   13.725   50.587   24.515   66.926   23.694 -16.33878 34.09389 
1 1 1  -25   37   10 o   56.848   23.823   7.4728   15.770 -40.0146   24.966   39.000   20.342   45.154   22.268   92.140   28.761 -46.98553 36.37442 
1 1 1  -25   37   11 o   92.958   21.545   36.209   13.591   0.0000   0.0000   36.209   13.591  ?   ?    92.958   21.545 0.000000 21.54476 
1 1 1  -25   37   12 o   28.015   14.020 -28.0681   11.451   20.698   26.068 -39.7272   12.746   70.693   30.168   27.080   13.700 43.61286 33.13359 
1 1 1  -25   37   13 o   51.904   21.414   8.3295   12.460  -5.3366   26.438   12.231   14.127   55.239   26.129   57.234   23.103 -1.995392 34.87822 
1 1 1  -25   37   14 o   39.621   18.312  -3.5464   11.796  -5.8049   23.194  -2.7584   13.700   50.620   24.098   42.809   19.768 7.810658 31.16839 
1 1 1  -25   39    1 f   67.722   23.091   16.650   12.974   68.000   24.182  -4.1051   15.374  129.910   27.739   49.124   21.987 80.78580 35.39571 
1 1 1  -25   39    2 o  154.267   12.790   85.279   13.533   71.951   24.738   90.970   16.167  133.610   27.663  158.408   14.922 -24.79843 31.43054 
1 1 1  -25   39    3 o   50.634   22.472  -2.5901   15.711 -10.2146   25.536   2.0539   19.930   59.497   27.296   59.947   25.987 -0.4496346 37.68848 
1 1 1  -25   39    4 o   54.006   21.394   7.2834   11.885   26.483   25.838   2.1307   13.386   84.305   32.048   50.749   21.637 33.55661 38.66833 
1 1 1  -25   39    5 o   69.187   22.137   18.338   11.984   23.498   25.617   16.892   13.559   81.020   31.617   67.714   23.583 13.30643 39.44348 
1 1 1  -25   39    6 o   91.155   20.952   32.705   12.941   63.902   25.095   21.403   15.105  121.818   29.970   73.969   24.917 47.84838 38.97507 
1 1 1  -25   39    7 o   81.903   27.700   27.887   18.668   28.390   25.231   27.278   27.751   83.381   31.676   83.145   32.769 0.2356567 45.57621 
1 1 1  -25   39    8 o   39.798   18.450  -7.6440   12.109  -4.7527   26.043  -8.4414   13.677   60.398   27.656   42.136   19.560 18.26254 33.87437 
1 1 1  -25   39    9 o   39.653   18.310  -6.5034   11.752 -28.8390   25.009  -0.1743   13.313   48.733   23.655   47.194   20.828 1.538631 31.51743 
1 1 1  -25   39   10 o   81.259   21.790   27.754   12.506   68.683   25.813   15.200   14.296  119.331   30.981   63.191   23.883 56.14052 39.11813 
1 1 1  -25   39   11 f   54.038   21.428   9.5314   11.933   19.776   26.644   6.9610   13.346   71.058   30.417   52.606   21.970 18.45229 37.52157 
1 1 1  -25   39   12 o   93.023   19.891   36.469   12.418   21.312   27.307   40.421   13.944   70.059   30.395   96.715   21.398 -26.65506 37.17187 
1 1 1  -25   39   13 o   42.945   19.028   1.1709   11.220  -1.8615   24.711   1.9584   12.593   54.406   25.590   45.437   20.144 8.969540 32.56786 
1 1 1  -25   41    1 o   85.082   19.455   27.868   11.207   43.941   23.982   23.377   12.677  101.571   31.151   77.272   22.401 24.29948 38.36860 
1 1 1  -25   41    2 o   41.605   18.845  -4.8659   11.680  -1.8863   23.076  -5.8922   13.543   60.725   27.075   44.353   20.169 16.37141 33.76144 
1 1 1  -25   41    3 o  143.568   13.619   74.700   13.371  120.049   25.011   56.555   15.821  177.484   20.753  121.938   19.396 55.54622 28.40579 
1 1 1  -25   41    4 o   59.517   22.761   10.978   13.082   14.620   25.487   9.6748   15.244   73.526   30.504   60.284   24.116 13.24208 38.88601 
1 1 1  -25   41    5 o   74.085   21.779   21.726   11.909   38.029   24.568   16.719   13.615   93.304   31.776   67.023   23.613 26.28127 39.58891 
1 1 1  -25   41    6 o   97.151   18.650   36.499   12.084   52.390   23.733   30.937   14.041  108.505   30.392   87.180   22.954 21.32429 38.08616 
1 1 1  -25   41    7 o  121.610   15.371   55.284   12.648   43.454   26.302   58.842   14.426   96.194   32.878  124.387   17.218 -28.19263 37.11345 
1 1 1  -25   41    8 o   91.037   20.130   33.297   12.347   39.483   26.188   31.529   14.000   90.854   32.669   86.872   22.944 3.982224 39.92122 
1 1 1  -25   41    9 o   66.652   24.918   17.545   15.473   28.385   24.840   10.671   19.780   79.359   31.088   62.668   26.492 16.69088 40.84490 
1 1 1  -25   41   10 o   57.845   23.051   11.287   13.872   0.0000   0.0000   11.287   13.872  ?   ?    57.845   23.051 0.000000 23.05052 
1 1 1  -25   41   11 o  118.562   14.953   54.175   11.997   60.390   26.355   52.550   13.474  104.629   32.750  114.663   17.536 -10.03354 37.14949 
1 1 1  -25   41   12 o   61.237   22.970   16.173   13.171   44.000   26.851   7.3553   15.114   84.765   32.563   53.092   22.822 31.67278 39.76434 
1 1 1  -25   41   13 o   40.802   18.705  -2.1581   11.962 -22.4732   24.248   4.3765   13.752   45.582   22.373   48.018   21.181 -2.436199 30.80952 
1 1 1  -25   43    1 o   55.524   20.951   9.6139   10.990   33.102   23.061   2.7120   12.501   88.757   30.765   49.564   21.013 39.19290 37.25586 
1 1 1  -25   43    2 f   51.219   22.303   0.6957   14.809  -0.3708   23.024   1.4482   19.341   60.930   27.115   57.877   25.337 3.053211 37.10990 
1 1 1  -25   43    3 o   48.825   20.257   4.0197   11.239   10.849   22.941   1.8629   12.893   68.231   28.670   49.226   21.117 19.00489 35.60799 
1 1 1  -25   43    4 o   86.812   22.403   30.404   13.551   33.541   24.818   29.071   16.176   88.218   31.794   83.770   25.564 4.448151 40.79689 
1 1 1  -25   43    5 o   53.185   22.616   3.9568   14.556 -24.6829   24.066   20.478   18.278   49.848   23.949   73.002   27.123 -23.15385 36.18309 
1 1 1  -25   43    6 o   58.547   21.957   11.735   12.033 -26.7561   24.358   24.160   13.840   49.125   23.721   76.524   23.696 -27.39856 33.52917 
1 1 1  -25   43    7 o   81.356   21.309   27.128   12.141   47.805   25.323   20.956   13.835   99.480   32.216   71.399   23.848 28.08101 40.08201 
1 1 1  -25   43    8 o   97.953   23.239   40.665   15.517   35.907   24.322   43.931   20.151   86.357   31.421   97.588   28.229 -11.23093 42.23944 
1 1 1  -25   43    9 o   29.086   14.602 -33.7809   12.898   2.7444   24.427 -47.9016   15.188   60.271   27.280   29.355   14.862 30.91663 31.06557 
1 1 1  -25   43   10 o   67.997   23.202   20.113   13.100 -17.9122   24.456   35.413   15.513   50.071   24.077   88.254   24.519 -38.18320 34.36391 
1 1 1  -25   43   11 o   47.677   20.680   3.6935   12.634   13.946   22.505  -1.0248   15.267   63.125   27.490   47.193   21.442 15.93277 34.86348 
1 1 1  -25   43   12 o   35.648   16.995  -9.7299   11.623 -14.8585   23.923  -8.1454   13.297   48.355   23.389   39.248   18.555 9.107277 29.85509 
1 1 1  -25   45    1 o   40.083   19.169 -16.8015   15.034 -11.5024   22.642 -20.9794   20.105   53.867   25.060   46.182   22.108 7.685085 33.41779 
1 1 1  -25   45    2 o   85.043   20.229   28.651   11.734   5.2000   24.190   35.867   13.418   64.798   28.352   94.981   20.972 -30.18282 35.26507 
1 1 1  -25   45    3 o  181.987   10.252  118.217   12.861  117.366   26.483  118.480   14.712  171.525   22.879  181.307   11.788 -9.782333 25.73697 
1 1 1  -25   45    4 o  101.158   18.530   39.741   12.495   1.0956   24.262   53.692   14.577   61.807   27.645  117.973   18.458 -56.16639 33.24066 
1 1 1  -25   45    5 o   94.340   21.116   35.976   13.444   35.166   24.465   36.326   16.090   87.654   31.570   92.541   24.672 -4.886925 40.06720 
1 1 1  -25   45    6 o   55.021   22.523   7.8012   13.650  -2.5063   24.947   12.206   16.307   59.496   27.177   61.953   24.887 -2.457500 36.85065 
1 1 1  -25   45    7 o   42.986   19.657  -4.7702   13.095 -28.3659   23.269   6.1653   15.841   46.353   22.572   55.393   23.576 -9.040466 32.63869 
1 1 1  -25   45    8 o   48.888   21.852  -0.2917   15.133   18.029   24.073 -12.2613   19.458   69.772   29.346   47.515   22.458 22.25722 36.95341 
1 1 1  -25   45    9 o   33.364   16.240 -17.1468   12.010 -20.4976   24.806 -16.1210   13.725   49.617   23.954   36.904   17.816 12.71343 29.85314 
1 1 1  -25   45   10 o   47.351   20.157   4.5236   11.584 -38.9366   23.757   18.081   13.269   42.282   21.005   64.397   23.242 -22.11456 31.32704 
1 1 1  -25   45   11 o   38.754   18.007  -5.0780   11.634   13.434   24.035 -10.7425   13.295   61.941   27.623   38.022   18.140 23.91874 33.04716 
1 1 1  -25   47    1 o   99.355   22.751   40.492   15.307   2.0298   24.315   65.742   19.702   62.195   27.757  126.944   23.282 -64.74821 36.22862 
1 1 1  -25   47    2 o   37.238   17.433  -8.7893   11.239 -23.3805   22.925  -4.1723   12.895   48.480   23.312   43.593   19.768 4.886349 30.56485 
1 1 1  -25   47    3 o   69.094   21.630   19.256   11.496   12.546   23.435   21.382   13.192   67.928   28.783   72.229   23.238 -4.301064 36.99293 
1 1 1  -25   47    4 o   73.519   22.055   22.261   12.116  -4.5741   23.149   32.385   14.219   56.740   26.016   87.879   23.081 -31.13859 34.77814 
1 1 1  -25   47    5 o   69.664   22.013   19.974   11.879  -2.6400   23.529   27.710   13.761   57.740   26.382   80.790   23.316 -23.05019 35.20875 
1 1 1  -25   47    6 o   44.949   19.669   0.7305   11.645  -5.8780   23.653   2.8446   13.378   55.709   25.812   49.397   21.353 6.312637 33.49947 
1 1 1  -25   47    7 o   68.688   23.508   20.057   13.447  -2.3249   23.090   31.544   16.542   56.341   25.888   83.176   25.931 -26.83465 36.64166 
1 1 1  -25   47    8 o   46.685   20.871  -0.2071   13.811   6.7463   26.127  -2.9034   16.269   62.595   28.283   48.033   21.943 14.56263 35.79736 
1 1 1  -25   47    9 f   47.842   20.911   2.9343   13.128 -20.8927   25.310   11.705   15.356   49.228   23.872   58.003   23.833 -8.774883 33.73275 
1 1 1  -25   47   10 o   50.477   21.548   6.4859   13.308  -6.3512   23.460   12.576   16.159   51.945   24.584   58.149   24.220 -6.204185 34.51096 
1 1 1  -25   49    1 o  129.382   15.403   63.134   13.522   0.0000   0.0000   63.134   13.522  ?   ?   129.382   15.403 0.000000 15.40263 
1 1 1  -25   49    2 o   53.325   21.002   8.5832   11.392   4.0951   24.549   9.8150   12.861   62.493   27.890   56.271   22.267 6.222137 35.68834 
1 1 1  -25   49    3 o   68.853   22.510   19.541   12.350   16.483   25.074   20.521   14.191   70.497   29.816   70.253   24.146 0.2435455 38.36697 
1 1 1  -25   49    4 o   95.079   18.584   36.009   11.791   33.829   23.738   36.723   13.586   84.061   30.972   94.134   21.344 -10.07275 37.61433 
1 1 1  -25   49    5 o   52.599   21.195   8.0007   11.868  -6.6293   23.852   12.815   13.682   55.208   25.696   59.737   23.163 -4.529083 34.59481 
1 1 1  -25   49    6 o   88.690   19.770   32.436   11.826   15.756   24.180   37.681   13.558   67.671   28.971   94.663   21.219 -26.99186 35.91090 
1 1 1  -25   49    7 o  ?   ?  -52.3279   14.449 -52.0000   22.513 -52.5576   18.842   38.212   19.197   33.436   16.892 4.775242 25.57070 
1 1 1  -25   49    8 o   72.945   23.611   24.282   13.603   19.839   25.331   26.083   16.126   68.548   29.507   74.115   25.724 -5.567398 39.14564 
1 1 1  -25   49    9 o   37.532   17.914 -11.0272   12.997   20.610   23.110 -25.6626   15.718   66.894   28.473   35.561   17.561 31.33371 33.45314 
1 1 1  -25   49   10 o   76.884   29.939   36.122   22.933   36.122   22.933   0.0000   0.0000   76.884   29.939  ?   ?  0.000000 29.93912 
1 1 1  -25   51    1 o   60.610   21.163   14.469   10.923   28.327   23.696   10.730   12.308   78.494   30.470   56.349   21.936 22.14575 37.54507 
1 1 1  -25   51    2 o   40.476   18.735  -6.4265   12.415   0.0000   0.0000  -6.4265   12.415  ?   ?    40.476   18.735 0.000000 18.73522 
1 1 1  -25   51    3 o   49.487   20.850   4.8892   12.184 -10.7707   24.839   9.8510   13.982   54.144   25.525   56.539   22.927 -2.394444 34.30988 
1 1 1  -25   51    4 o   90.866   18.853   33.513   11.468   48.766   23.209   28.587   13.191   98.112   30.737   81.197   22.628 16.91491 38.16787 
1 1 1  -25   51    5 o   70.116   21.615   21.072   11.530  -8.4732   22.945   31.054   13.336   52.602   24.715   84.431   22.438 -31.82928 33.38138 
1 1 1  -25   51    6 o   47.902   20.421   4.3437   11.923   6.9415   22.844   3.3711   13.977   59.985   26.828   49.513   21.611 10.47229 34.44920 
1 1 1  -25   51    7 o  109.873   18.990   49.941   13.919   0.0000   0.0000   49.941   13.919  ?   ?   109.873   18.990 0.000000 18.99008 
1 1 1  -25   51    8 o   43.187   19.267   0.4587   11.704  -8.7171   23.227   3.5816   13.550   50.730   24.140   48.134   21.136 2.596157 32.08548 
1 1 1  -25   51    9 o   48.322   20.994   5.3242   13.065   3.9380   23.145   5.9725   15.828   55.083   25.526   51.275   22.665 3.808464 34.13647 
1 1 1  -25   53    1 o   93.608   18.118   35.284   11.314   60.878   24.185   28.113   12.801  109.885   30.645   80.495   22.240 29.38976 37.86427 
1 1 1  -25   53    2 o   95.951   18.461   37.275   11.815   21.605   23.061   42.851   13.757   70.982   29.191  101.573   20.279 -30.59121 35.54363 
1 1 1  -25   53    3 o   85.185   21.589   31.259   12.745   0.0000   0.0000   31.259   12.745  ?   ?    85.185   21.589 0.000000 21.58939 
1 1 1  -25   53    4 o   37.982   17.990 -10.0741   12.612   0.0000   0.0000 -10.0741   12.612  ?   ?    37.982   17.990 0.000000 17.99025 
1 1 1  -25   53    5 o   58.600   21.581   13.935   11.523   33.346   23.692   7.9190   13.189   79.031   30.526   52.567   21.887 26.46400 37.56176 
1 1 1  -25   53    6 o   31.516   15.516 -20.2417   11.946 -28.0878   24.311 -17.7442   13.716   45.484   22.341   35.629   17.345 9.855137 28.28360 
1 1 1  -25   53    7 o   63.195   23.033   18.163   13.077   34.210   25.230   12.269   15.291   76.125   30.823   57.095   23.653 19.02962 38.85287 
1 1 1  -25   55    1 o   40.073   18.178  -2.4737   10.916   23.732   23.807  -9.4498   12.283   71.218   29.509   37.640   17.806 33.57803 34.46534 
1 1 1  -25   55    2 o   46.583   19.623   4.7169   10.790   1.4971   23.276   5.5982   12.178   56.663   26.019   49.164   20.786 7.498772 33.30250 
1 1 1  -25   55    3 o   30.020   14.770 -18.6632   10.769 -32.7366   21.930 -14.1905   12.363   41.784   20.655   35.086   16.932 6.697510 26.70789 
1 1 1  -25   55    4 o   39.388   18.411  -6.5851   12.454   0.0000   0.0000  -6.5851   12.454  ?   ?    39.388   18.411 0.000000 18.41093 
1 1 1  -25   55    5 o   45.177   21.318  -7.8994   17.406   0.0000   0.0000  -7.8994   17.406  ?   ?    45.177   21.318 0.000000 21.31832 
1 1 1  -25   55    6 o   55.057   21.256   12.402   11.483   19.985   24.713   10.314   12.968   65.169   28.582   53.378   21.914 11.79115 36.01553 
1 1 1  -25   57    1 o   42.393   19.235  -1.4644   12.233 -31.2537   23.327   9.8341   14.366   43.195   21.343   54.473   22.776 -11.27798 31.21346 
1 1 1  -25   57    2 o   85.744   19.258   31.500   11.149   50.829   22.768   25.403   12.787   94.397   30.545   73.800   22.765 20.59680 38.09538 
1 1 1  -25   57    3 o   37.776   17.587  -5.2874   11.186   7.3463   20.301 -10.7958   13.405   56.087   25.173   38.069   18.177 18.01794 31.04944 
1 1 1  -25   57    4 o   60.486   21.156   16.396   10.918  -2.0063   21.512   22.780   12.671   51.362   24.068   69.146   22.810 -17.78433 33.15953 
1 1 1  -24    0    1 f  162.453   20.467   95.707   22.019   95.707   22.019   95.707   22.019  162.453   20.467  162.453   20.467 0.000000 0.000000 
1 1 1  -24    0    2 o  356.532   9.1401  440.885   22.521  440.885   22.521  440.885   22.521  356.532   9.1401  356.532   9.1401 0.000000 0.000000 
1 1 1  -24    0    3 o  377.711   9.1782  494.732   23.961  494.732   23.961  494.732   23.961  377.711   9.1782  377.711   9.1782 0.000000 0.000000 
1 1 1  -24    0    4 o  306.013   10.097  325.257   21.332  325.257   21.332  325.257   21.332  306.013   10.097  306.013   10.097 0.000000 0.000000 
1 1 1  -24    0    5 o   54.149   30.917   13.073   18.209   13.073   18.209   13.073   18.209   54.149   30.917   54.149   30.917 0.000000 0.000000 
1 1 1  -24    0    6 o  333.808   10.604  387.016   24.444  387.016   24.444  387.016   24.444  333.808   10.604  333.808   10.604 0.000000 0.000000 
1 1 1  -24    0    7 o  394.502   15.486  541.951   42.135  541.951   42.135  541.951   42.135  394.502   15.486  394.502   15.486 0.000000 0.000000 
1 1 1  -24    0    8 o  264.368   13.926  244.270   25.319  244.270   25.319  244.270   25.319  264.368   13.926  264.368   13.926 0.000000 0.000000 
1 1 1  -24    0    9 o   38.278   27.445 -55.1219   34.241 -55.1219   34.241 -55.1219   34.241   38.278   27.445   38.278   27.445 0.000000 0.000000 
1 1 1  -24    0   10 o  292.171   13.214  298.068   26.597  298.068   26.597  298.068   26.597  292.171   13.214  292.171   13.214 0.000000 0.000000 
1 1 1  -24    0   11 o  144.624   27.388   80.782   24.550   80.782   24.550   80.782   24.550  144.624   27.388  144.624   27.388 0.000000 0.000000 
1 1 1  -24    0   12 o   82.925   38.399   36.248   24.347   36.248   24.347   36.248   24.347   82.925   38.399   82.925   38.399 0.000000 0.000000 
1 1 1  -24    0   13 o  119.469   42.255   68.634   31.769   68.634   31.769   68.634   31.769  119.469   42.255  119.469   42.255 0.000000 0.000000 
1 1 1  -24    0   14 o   78.999   37.202   34.310   22.918   34.310   22.918   34.310   22.918   78.999   37.202   78.999   37.202 0.000000 0.000000 
1 1 1  -24    0   15 o   86.318   28.465   34.617   15.104   34.617   15.104   34.617   15.104   86.318   28.465   86.318   28.465 0.000000 0.000000 
1 1 1  -24    0   16 o   43.185   27.078   6.1366   16.791   6.1366   16.791   6.1366   16.791   43.185   27.078   43.185   27.078 0.000000 0.000000 
1 1 1  -24    0   17 o   36.101   23.968  -0.9460   15.915  -0.9460   15.915  -0.9460   15.915   36.101   23.968   36.101   23.968 0.000000 0.000000 
1 1 1  -24    0   18 o   30.832   21.378  -8.4521   15.828  -8.4521   15.828  -8.4521   15.828   30.832   21.378   30.832   21.378 0.000000 0.000000 
1 1 1  -24    2    1 o   41.472   19.084  -9.5842   12.611  -3.9576   20.599 -12.9571   15.949   60.056   26.223   46.077   21.295 13.97941 33.78018 
1 1 1  -24    2    2 o  496.454   6.0182  853.620   20.679  835.519   29.290  871.608   29.198  490.948   8.6201  501.460   8.4129 -10.51120 12.04502 
1 1 1  -24    2    3 o  312.790   7.0454  338.979   15.252  296.062   21.018  386.724   22.168  292.114   10.396  333.922   9.5921 -41.80823 14.14501 
1 1 1  -24    2    4 o  391.223   6.5522  530.253   17.741  533.823   24.984  526.621   25.198  392.324   9.2011  389.655   9.3433 2.669006 13.11325 
1 1 1  -24    2    5 o  367.052   6.9066  466.878   17.546  478.241   24.978  455.810   24.651  371.241   9.7215  362.419   9.8277 8.821838 13.82356 
1 1 1  -24    2    6 o  156.872   13.601   86.308   14.620  102.814   20.970   70.695   20.395  170.538   18.041  140.283   21.706 30.25482 28.22464 
1 1 1  -24    2    7 o  126.478   26.990   58.907   22.907   36.249   32.778   80.537   32.025  104.667   36.655  147.028   32.350 -42.36047 48.88836 
1 1 1  -24    2    8 o  206.208   13.900  149.055   19.722  179.171   35.015  135.061   23.869  223.880   22.921  195.413   17.845 28.46733 29.04816 
1 1 1  -24    2    9 o   61.429   25.634   3.5542   18.147  -5.9575   22.121   23.127   31.733   60.347   26.730   92.071   35.392 -31.72406 44.35185 
1 1 1  -24    2   10 o   61.863   25.043   6.7775   16.650 -29.2868   23.220   44.947   23.888   49.946   23.869  108.639   30.512 -58.69310 38.73940 
1 1 1  -24    2   11 o  218.946   11.961  168.725   18.057  160.004   25.878  177.001   25.209  211.017   17.887  222.618   16.478 -11.60065 24.32035 
1 1 1  -24    2   12 o   73.427   27.125   17.572   18.228   24.371   30.282   13.709   22.827   87.948   34.360   73.699   29.501 14.24924 45.28769 
1 1 1  -24    2   13 o  210.766   14.353  159.638   20.812  163.854   26.788  153.219   33.054  210.990   18.532  199.724   24.421 11.26585 30.65689 
1 1 1  -24    2   14 o   62.317   22.474   13.449   12.403  -9.5805   32.614   17.343   13.411   66.614   30.667   68.304   23.473 -1.689888 38.61873 
1 1 1  -24    2   15 o   55.363   20.538   10.159   10.473   18.392   14.647   1.5470   14.980   69.260   24.482   51.783   22.489 17.47716 33.24363 
1 1 1  -24    2   16 o   90.643   19.086   32.668   11.595   35.753   16.304   29.510   16.495   90.985   25.082   82.365   25.930 8.619423 36.07576 
1 1 1  -24    2   17 o   52.321   20.714   8.5828   11.136  -2.2804   16.193   18.328   15.338   48.739   22.121   66.579   24.824 -17.83992 33.25018 
1 1 1  -24    2   18 o   51.593   21.116   8.3017   11.996   3.3837   17.042   13.132   16.889   52.104   23.247   59.756   24.815 -7.652107 34.00298 
1 1 1  -24    4    1 o  380.766   7.1665  502.303   18.886  520.976   32.863  493.095   23.078  387.348   12.258  377.146   8.8411 10.20163 15.11387 
1 1 1  -24    4    2 o  398.085   6.1857  548.888   17.043  527.205   23.743  571.934   24.478  389.967   8.7970  406.180   8.7073 -16.21304 12.37758 
1 1 1  -24    4    3 f  110.616   16.604   43.556   12.319   51.254   17.281   35.602   17.567  119.212   21.746   98.803   25.512 20.40801 33.52218 
1 1 1  -24    4    4 o  230.139   8.8086  183.664   14.031  195.182   19.451  171.170   20.258  236.749   11.909  221.492   13.276 15.25673 17.83468 
1 1 1  -24    4    5 o  200.834   10.000  139.990   13.900  126.852   19.571  153.364   19.746  190.253   14.984  209.501   13.694 -19.24748 20.29871 
1 1 1  -24    4    6 o  379.360   7.1476  498.869   18.767  490.694   26.043  507.699   27.067  375.934   10.009  382.364   10.228 -6.430481 14.31071 
1 1 1  -24    4    7 o  110.269   24.474   44.652   18.191   34.643   22.071   65.854   32.121   98.010   29.851  132.539   34.633 -34.52920 45.72183 
1 1 1  -24    4    8 o  193.710   14.684  131.831   19.540  113.024   35.063  140.303   23.533  175.057   30.020  199.324   17.228 -24.26624 34.61200 
1 1 1  -24    4    9 o  311.028   8.8589  336.228   19.070  324.011   26.448  349.458   27.523  304.662   12.543  316.394   12.569 -11.73193 17.75659 
1 1 1  -24    4   10 o  104.207   26.499   41.000   19.155   35.170   22.850   54.780   35.134   97.322   30.500  119.217   37.878 -21.89501 48.63121 
1 1 1  -24    4   11 o   99.547   24.300   37.677   16.596   30.807   23.661   44.329   23.284   91.690   31.184  106.676   30.181 -14.98650 43.39764 
1 1 1  -24    4   12 o   65.664   26.435   9.7286   18.442  -7.5951   30.623   19.588   23.102   68.099   30.709   79.073   30.245 -10.97411 43.10207 
1 1 1  -24    4   13 o   51.196   24.125 -19.0499   22.145 -32.2829   32.567  -7.6683   30.203   59.124   28.259   66.437   30.175 -7.313591 41.34112 
1 1 1  -24    4   14 o   56.762   22.386   8.6298   12.959   66.976   34.057  -1.2476   14.013  119.814   37.184   48.635   21.421 71.17870 42.91326 
1 1 1  -24    4   15 o  101.873   20.296   40.815   13.808   32.990   33.109   42.463   15.192   88.342   35.471  102.936   21.992 -14.59484 41.73503 
1 1 1  -24    4   16 o   81.021   19.459   26.378   10.775   22.057   14.885   31.135   15.617   72.731   24.734   84.954   24.931 -12.22321 35.11821 
1 1 1  -24    4   17 o   37.248   17.547  -9.1447   11.700  -1.8263   18.640 -13.9029   15.030   51.931   23.632   40.327   19.253 11.60423 30.48219 
1 1 1  -24    4   18 o   52.348   20.930   9.3826   11.475 -18.0504   16.686   34.003   15.807   40.027   19.404   84.178   25.178 -44.15075 31.78786 
1 1 1  -24    6    1 o  392.361   7.0923  533.360   19.260  540.488   33.359  529.797   23.588  394.526   12.217  390.933   8.7180 3.593231 15.00854 
1 1 1  -24    6    2 o  245.872   8.0194  209.521   13.647  180.092   18.736  242.777   19.917  227.432   11.944  264.499   10.880 -37.06706 16.15687 
1 1 1  -24    6    3 o  494.068   6.2475  845.562   21.363  814.391   29.537  879.758   30.937  484.643   8.8056  503.710   8.8740 -19.06671 12.50146 
1 1 1  -24    6    4 o  201.979   9.8721  141.550   13.801  145.464   19.273  137.431   19.770  204.047   13.727  198.193   14.514 5.853973 19.97688 
1 1 1  -24    6    5 o  200.802   10.288  140.343   14.250  177.873   20.121  102.578   20.184  225.785   12.930  170.544   17.341 55.24103 21.63095 
1 1 1  -24    6    6 o  121.219   20.521   52.937   16.602   51.216   20.184   56.537   29.191  118.200   25.427  123.414   33.373 -5.214081 41.95604 
1 1 1  -24    6    7 o  424.033   10.057  624.659   29.515   0.0000   0.0000  624.659   29.515  ?   ?   424.033   10.057 0.000000 10.05690 
1 1 1  -24    6    8 o  198.687   17.509  139.549   23.831   99.366   35.322  173.122   32.286  163.029   32.445  220.391   21.438 -57.36143 38.88748 
1 1 1  -24    6    9 o   89.916   25.012   29.853   16.133   40.873   22.755   18.716   22.876  104.615   29.920   80.752   30.276 23.86272 42.56568 
1 1 1  -24    6   10 o  215.433   11.538  162.691   17.142  147.583   24.210  177.879   24.273  203.495   17.356  224.085   15.751 -20.58968 23.43753 
1 1 1  -24    6   11 o   86.841   25.660   28.488   16.494   40.063   23.532   17.309   23.125  101.666   30.792   78.013   30.151 23.65284 43.09560 
1 1 1  -24    6   12 o   79.678   26.164   23.666   16.678   10.537   23.909   36.110   23.277   72.036   29.685   95.868   30.870 -23.83171 42.82727 
1 1 1  -24    6   13 o  256.395   8.7865  230.488   15.592  283.171   37.116  219.198   17.182  276.658   19.509  249.580   9.9467 27.07777 21.89833 
1 1 1  -24    6   14 o   75.314   23.322   22.286   13.406   54.293   32.363   15.656   14.729  108.640   36.472   66.785   24.428 41.85500 43.89717 
1 1 1  -24    6   15 o   78.325   23.940   25.108   14.178   38.722   33.494   22.136   15.650   92.288   36.114   74.236   25.360 18.05238 44.12931 
1 1 1  -24    6   16 o   39.709   18.072  -4.1796   10.903  -3.4963   15.705  -4.8154   15.149   48.133   21.822   46.439   21.199 1.694248 30.42382 
1 1 1  -24    6   17 o   71.095   21.950   21.592   11.884   4.9073   18.060   34.335   15.784   55.737   24.439   87.256   24.906 -31.51833 34.89420 
1 1 1  -24    6   18 o   67.972   21.941   20.665   11.754   11.174   16.429   30.615   16.822   57.561   24.229   78.553   26.296 -20.99164 35.75594 
1 1 1  -24    8    1 o  581.461   6.9327  1171.34   27.900  1133.66   46.961  1191.89   34.685  571.404   11.875  586.367   8.5466 -14.96265 14.63039 
1 1 1  -24    8    2 o  539.639   6.0935  1008.67   22.759  957.528   31.397  1065.29   33.037  525.541   8.6319  554.327   8.6110 -28.78571 12.19261 
1 1 1  -24    8    3 o  666.236   6.4147  1537.68   29.579  1470.61   40.535  1614.06   43.259  651.211   8.9936  682.207   9.1618 -30.99573 12.83839 
1 1 1  -24    8    4 o   64.630   22.748   12.924   12.632   21.972   18.234   4.5728   17.517   81.336   27.376   61.934   25.452 19.40150 37.38020 
1 1 1  -24    8    5 o  611.474   6.4658  1295.58   27.364  1303.94   38.602  1287.14   38.795  613.056   9.0978  609.074   9.2029 3.981995 12.94077 
1 1 1  -24    8    6 o  417.822   8.0005  605.475   23.136  624.770   28.270  566.341   40.261  424.215   9.6285  403.085   14.431 21.13086 17.34861 
1 1 1  -24    8    7 o  132.497   16.861   62.391   15.111   66.668   21.044   57.837   21.713  135.556   23.268  125.452   25.867 10.10331 34.79222 
1 1 1  -24    8    8 o  320.004   9.8063  355.977   21.719  311.171   38.437  376.993   26.324  296.834   18.806  329.025   11.560 -32.19147 22.07506 
1 1 1  -24    8    9 o  136.652   17.110   66.706   15.828   65.425   23.086   67.841   21.742  132.787   26.050  135.905   23.991 -3.118439 35.41482 
1 1 1  -24    8   10 f   92.348   24.013   31.988   15.492   42.556   22.813   22.944   21.104  105.596   29.874   82.828   29.375 22.76771 41.89717 
1 1 1  -24    8   11 o  107.232   24.913   43.946   18.137   75.171   28.428   22.511   23.554  138.415   30.497   83.045   30.802 55.37002 43.34618 
1 1 1  -24    8   12 o  121.043   16.082   53.318   13.140   62.195   29.538   51.128   14.671  122.491   33.758  117.524   18.660 4.966988 38.57204 
1 1 1  -24    8   13 o   56.122   22.125   7.9782   12.654   26.400   30.816   4.2421   13.878   87.513   34.519   53.805   22.431 33.70820 41.16677 
1 1 1  -24    8   14 o   73.365   25.240   20.640   15.508  -1.6351   33.330   26.795   17.521   70.500   31.892   81.581   26.818 -11.08128 41.66869 
1 1 1  -24    8   15 o   47.158   20.467   0.8623   12.389 -54.1951   33.776   9.4216   13.318   52.006   25.694   57.203   22.651 -5.197411 34.25289 
1 1 1  -24    8   16 o   72.643   22.895   21.997   12.856   40.678   33.651   18.804   13.911   89.587   35.834   68.116   23.878 21.47066 43.06105 
1 1 1  -24    8   17 o   36.679   17.198  -7.8977   11.012  -7.0447   15.444  -8.7796   15.704   44.574   20.723   43.951   20.585 0.6224480 29.20953 
1 1 1  -24    8   18 f   74.081   26.036   27.068   16.544   33.049   20.003   14.117   29.434   78.927   28.529   65.217   29.685 13.71035 41.17187 
1 1 1  -24   10    1 o  270.590   7.4393  253.725   13.932  244.644   19.407  263.382   20.014  265.519   10.560  275.505   10.496 -9.985809 14.88914 
1 1 1  -24   10    2 o  102.594   17.474   37.710   11.963   41.161   16.434   33.822   17.447  106.352   22.997   96.374   25.689 9.977402 34.47868 
1 1 1  -24   10    3 o  535.278   6.2073  992.558   22.997  952.281   31.827  1036.56   33.264  524.033   8.7753  546.727   8.7908 -22.69409 12.42117 
1 1 1  -24   10    4 o  195.400   10.394  132.915   14.006  117.147   19.372  150.184   20.273  182.715   15.464  207.235   14.220 -24.51990 21.00821 
1 1 1  -24   10    5 o   63.660   23.282   11.600   13.379   0.4578   18.709   23.260   19.139   60.175   25.616   83.392   28.048 -23.21685 37.98487 
1 1 1  -24   10    6 f  449.991   9.9557  703.242   31.006  735.122   44.321  672.683   43.393  459.291   13.943  439.280   14.273 20.01141 19.95257 
1 1 1  -24   10    7 o  302.132   8.3426  316.801   17.445  325.577   23.998  306.965   25.405  305.918   11.334  296.897   12.363 9.021088 16.77240 
1 1 1  -24   10    8 o  249.995   11.313  217.638   19.575  213.073   37.957  219.292   22.848  244.081   22.730  250.315   13.235 -6.234100 26.30277 
1 1 1  -24   10    9 o  163.656   17.575   95.483   19.595   97.854   38.945   94.679   22.674  159.026   36.197  162.059   20.688 -3.033218 41.69182 
1 1 1  -24   10   10 o  214.048   11.350  160.697   16.754  163.407   25.164  158.539   22.455  214.049   17.129  211.403   15.454 2.646347 23.07015 
1 1 1  -24   10   11 o  117.015   20.587   50.870   16.064   45.270   23.469   55.807   22.035  107.249   30.287  120.073   27.152 -12.82380 40.67548 
1 1 1  -24   10   12 o   51.274   21.375   3.2856   12.601   25.293   30.618  -1.2017   13.826   88.221   34.527   49.154   21.472 39.06683 40.65957 
1 1 1  -24   10   13 o  154.985   12.532   85.975   13.328  138.098   31.939   74.985   14.666  188.275   25.139  143.656   14.970 44.61899 29.25865 
1 1 1  -24   10   14 o   35.653   17.352 -21.6330   13.697   7.7415   30.194 -29.2444   15.370   72.597   31.722   35.705   17.582 36.89222 36.26859 
1 1 1  -24   10   15 o   57.511   22.442   10.130   12.907   21.966   33.744   8.1017   13.969   80.659   34.371   56.367   22.896 24.29255 41.29837 
1 1 1  -24   10   16 o   40.128   18.790  -9.1780   13.069 -51.8537   32.253  -0.7943   14.296   49.758   24.677   47.903   21.338 1.854977 32.62288 
1 1 1  -24   10   17 o   45.466   19.535   2.7556   11.064   2.0419   15.246   3.5496   16.081   50.361   22.254   52.468   23.032 -2.107487 32.02703 
1 1 1  -24   10   18 o   49.701   21.295   5.8023   13.083   20.215   19.900  -5.1672   17.362   66.187   27.156   46.708   21.801 19.47873 34.82398 
1 1 1  -24   12    1 o  656.585   6.2944  1493.40   28.604  1409.58   38.796  1593.22   42.339  637.582   8.7918  677.807   9.0252 -40.22546 12.59957 
1 1 1  -24   12    2 o  393.832   6.4077  537.337   17.466  487.652   23.885  594.437   25.605  374.964   9.2037  414.014   8.9360 -39.05026 12.82805 
1 1 1  -24   12    3 o  245.262   8.4395  208.584   14.326  199.639   19.957  218.093   20.577  239.392   12.084  250.544   11.866 -11.15292 16.93627 
1 1 1  -24   12    4 o   59.384   22.824   8.3600   13.196   17.039   18.457  -0.7150   18.873   75.719   27.399   59.544   25.547 16.17555 37.46103 
1 1 1  -24   12    5 o  155.854   15.301   85.514   16.292   68.708   19.235  128.195   30.652  138.454   20.708  189.242   23.938 -50.78792 31.65219 
1 1 1  -24   12    6 o  244.054   13.209  208.067   22.229  208.067   22.229   0.0000   0.0000  244.054   13.209  ?   ?  0.000000 13.20896 
1 1 1  -24   12    7 o   84.105   24.296   25.671   14.936   57.297   20.849  -7.6694   21.407  124.926   24.986   58.433   26.064 66.49306 36.10561 
1 1 1  -24   12    8 o  143.346   18.749   73.557   18.155   49.317   36.000   81.824   21.024  116.374   38.451  150.797   20.690 -34.42378 43.66379 
1 1 1  -24   12    9 o   73.765   27.121   16.383   18.188   35.683   39.076   11.045   20.549  105.577   39.572   70.914   28.119 34.66245 48.54541 
1 1 1  -24   12   10 o  184.528   14.298  120.657   18.118  112.927   30.257  124.979   22.622  173.960   25.922  186.676   17.722 -12.71658 31.40090 
1 1 1  -24   12   11 o   65.321   22.672   14.503   12.526   20.585   30.774   13.295   13.714   86.089   34.324   64.759   23.589 21.33002 41.64844 
1 1 1  -24   12   12 f   98.269   19.555   36.372   12.832   56.390   30.107   31.928   14.185  115.710   34.780   90.967   22.625 24.74277 41.49147 
1 1 1  -24   12   13 o  103.376   18.754   40.380   12.924   52.439   29.202   37.442   14.413  109.628   34.499   98.139   21.787 11.48968 40.80292 
1 1 1  -24   12   14 o  110.674   17.376   46.181   12.871   91.854   31.371   36.936   14.114  144.801   32.142   96.649   21.638 48.15277 38.74646 
1 1 1  -24   12   15 o   67.675   24.089   17.676   14.204   49.659   32.636   10.203   15.777   99.725   36.380   60.239   24.380 39.48652 43.79386 
1 1 1  -24   12   16 o  109.963   18.939   47.966   13.894   62.585   31.567   44.454   15.473  107.275   36.021  103.276   22.300 3.999039 42.36514 
1 1 1  -24   12   17 o   45.878   22.117 -19.1198   20.965  -8.7902   29.272 -30.0000   30.042   57.809   27.389   51.574   25.229 6.234734 37.23754 
1 1 1  -24   12   18 o   38.725   18.900 -20.0472   16.582   0.0000   0.0000 -20.0472   16.582  ?   ?    38.725   18.900 0.000000 18.90044 
1 1 1  -24   14    1 o   52.219   21.239   3.7912   12.041  -5.1078   16.997   12.756   17.061   53.171   23.496   69.543   26.132 -16.37177 35.14188 
1 1 1  -24   14    2 o  317.310   7.1635  348.935   15.732  322.046   21.682  378.833   22.862  304.604   10.284  330.397   9.9978 -25.79340 14.34308 
1 1 1  -24   14    3 o  715.424   6.6094  1773.54   32.727  1709.74   44.909  1845.79   47.790  702.000   9.2431  729.350   9.4673 -27.35052 13.23121 
1 1 1  -24   14    4 o  316.402   7.4503  347.057   16.315  339.806   23.061  354.324   23.085  312.787   10.652  319.422   10.442 -6.634521 14.91686 
1 1 1  -24   14    5 o   79.224   28.931   18.485   20.648   37.366   28.686  -1.8146   29.744  103.713   34.326   73.713   31.851 30.00030 46.82701 
1 1 1  -24   14    6 o  409.078   7.0885  580.258   20.070  551.286   27.604  612.747   29.232  398.342   10.012  419.952   10.057 -21.61050 14.19133 
1 1 1  -24   14    7 o   43.369   20.043 -11.1791   14.128   5.6715   20.045 -27.8145   19.917   66.099   27.203   45.599   21.875 20.49952 34.90706 
1 1 1  -24   14    8 o  124.420   21.797   56.461   18.086   77.707   37.569   50.051   20.635  141.808   37.648  115.890   26.325 25.91793 45.93915 
1 1 1  -24   14    9 o   87.046   27.210   27.653   18.200   8.7561   37.852   33.335   20.757   86.739   36.657   94.771   28.966 -8.032288 46.72042 
1 1 1  -24   14   10 o   70.889   26.221   15.405   17.045   39.146   29.181   3.1087   21.000  102.123   34.631   64.101   27.209 38.02186 44.04139 
1 1 1  -24   14   11 o  124.287   15.280   55.744   12.868   67.171   29.992   53.166   14.245  128.367   33.428  120.550   17.592 7.816063 37.77404 
1 1 1  -24   14   12 o   62.366   22.450   12.912   12.370   7.3415   28.827   14.169   13.695   73.782   31.612   65.196   23.599 8.585884 39.44910 
1 1 1  -24   14   13 o   81.401   23.045   26.084   13.570   78.439   30.014   12.631   15.214  135.225   32.477   63.989   24.528 71.23560 40.69861 
1 1 1  -24   14   14 o   43.773   19.725  -3.9548   12.608   80.585   31.052 -20.6423   13.796  133.315   33.650   36.182   17.564 97.13258 37.95848 
1 1 1  -24   14   15 f   36.502   17.774 -21.7228   14.422 -41.0244   31.998 -16.8022   16.156   53.043   25.966   41.650   19.906 11.39301 32.71841 
1 1 1  -24   14   16 o   61.679   23.221   14.291   13.484   1.3761   28.495   18.017   15.306   63.398   28.993   66.963   24.832 -3.565617 38.17329 
1 1 1  -24   14   17 o   50.959   21.969   4.7832   14.085   44.259   30.634  -5.7990   15.861   86.835   34.364   45.541   21.114 41.29400 40.33184 
1 1 1  -24   14   18 o   62.298   22.286   17.534   12.172   26.696   17.135   8.2006   17.294   72.120   26.353   54.700   23.952 17.41996 35.61116 
1 1 1  -24   16    1 o  396.453   6.4199  544.572   17.615  532.741   24.807  556.606   25.019  391.878   9.1462  400.573   9.0242 -8.694458 12.84868 
1 1 1  -24   16    2 o  434.381   6.3995  653.773   19.240  593.352   26.277  723.598   28.248  413.551   9.1805  456.721   8.9363 -43.16983 12.81168 
1 1 1  -24   16    3 o  449.734   6.3868  700.847   19.880  646.365   27.126  764.062   29.220  431.613   9.0807  469.279   8.9964 -37.66531 12.78254 
1 1 1  -24   16    4 o  139.971   16.762   69.400   15.915   75.923   19.241   55.268   28.319  145.923   19.542  122.037   32.816 23.88625 38.19395 
1 1 1  -24   16    5 o  300.311   9.1755  313.083   19.071  278.023   22.891  392.634   34.482  282.719   11.699  335.452   14.852 -52.73328 18.90594 
1 1 1  -24   16    6 o  260.515   8.9188  235.648   16.081  219.615   22.509  252.363   22.983  250.694   13.018  269.186   12.336 -18.49223 17.93406 
1 1 1  -24   16    7 o  144.467   15.001   73.779   14.780   53.155   20.860   94.574   20.946  119.817   25.909  162.851   18.937 -43.03384 32.09166 
1 1 1  -24   16    8 o  168.003   16.107  100.061   18.500  178.342   36.163   72.314   21.530  222.083   23.904  140.718   22.893 81.36540 33.09835 
1 1 1  -24   16    9 o   53.769   24.456 -10.4471   19.931   0.0000   0.0000 -10.4471   19.931  ?   ?    53.769   24.456 0.000000 24.45649 
1 1 1  -24   16   10 o   91.575   20.387   31.353   12.589   13.473   30.307   35.081   13.840   81.321   33.456   96.730   21.253 -15.40913 39.63557 
1 1 1  -24   16   11 o   55.997   21.893   7.7771   12.301   9.4537   28.779   7.4023   13.606   76.043   32.041   57.346   22.836 18.69727 39.34582 
1 1 1  -24   16   12 o   51.152   21.076   4.2390   12.050   29.185   28.966  -0.9819   13.251   89.442   33.949   48.107   21.018 41.33444 39.92857 
1 1 1  -24   16   13 o  158.355   12.332   89.935   13.409   70.537   31.716   94.157   14.796  125.315   35.145  161.568   13.352 -36.25329 37.59599 
1 1 1  -24   16   14 o   82.131   22.357   27.165   13.050   53.415   31.638   21.783   14.325  105.688   36.059   73.949   24.247 31.73882 43.45246 
1 1 1  -24   16   15 o   59.773   22.862   12.155   13.199 -20.6585   28.989   20.738   14.825   56.095   26.769   71.409   24.672 -15.31464 36.40430 
1 1 1  -24   16   16 o   79.766   27.631   29.132   18.601   15.395   26.900   41.719   25.748   69.708   30.205   90.325   32.403 -20.61751 44.29778 
1 1 1  -24   16   17 o   58.200   23.860   11.635   15.347   0.0000   0.0000   11.635   15.347  ?   ?    58.200   23.860 0.000000 23.85979 
1 1 1  -24   18    1 o  471.986   6.3195  771.886   20.644  715.501   28.771  831.723   29.638  454.105   9.1541  489.656   8.7455 -35.55032 12.66025 
1 1 1  -24   18    2 o  173.470   11.515  105.038   13.746  114.523   19.519   95.703   19.363  180.515   15.782  164.631   17.250 15.88431 23.37964 
1 1 1  -24   18    3 o  221.900   9.4855  170.921   14.568  195.498   20.966  147.979   20.257  236.672   12.848  205.580   14.326 31.09241 19.24317 
1 1 1  -24   18    4 o  331.075   8.5715  380.336   19.641  343.487   23.069  477.415   37.444  314.405   10.601  369.981   14.623 -55.57602 18.06140 
1 1 1  -24   18    5 o  211.488   10.108  155.415   14.795  144.575   19.726  169.354   22.369  203.107   14.121  219.774   14.792 -16.66660 20.44987 
1 1 1  -24   18    6 o   74.133   23.907   19.064   13.957   20.740   19.471   17.293   20.016   80.325   28.244   77.069   28.433 3.256081 40.07692 
1 1 1  -24   18    7 o  208.486   11.148  151.839   16.028  136.052   22.415  168.359   22.929  196.156   16.668  218.706   15.243 -22.55057 22.58723 
1 1 1  -24   18    8 o  341.464   9.4125  405.874   22.245  430.829   43.106  396.816   25.970  348.699   17.922  337.239   11.126 11.46014 21.09453 
1 1 1  -24   18    9 o  156.229   20.479   88.833   21.611   0.0000   0.0000   88.833   21.611  ?   ?   156.229   20.479 0.000000 20.47938 
1 1 1  -24   18   10 o  108.899   17.159   43.304   12.505   69.415   28.969   37.324   13.863  131.921   32.045   99.822   20.743 32.09821 38.17317 
1 1 1  -24   18   11 o   59.348   21.972   10.811   11.974  -4.0761   29.934   13.646   13.064   68.894   30.769   64.231   23.077 4.663025 38.46087 
1 1 1  -24   18   12 o  153.897   13.163   84.974   13.886  143.366   31.980   71.408   15.415  192.691   24.536  139.683   16.248 53.00833 29.42844 
1 1 1  -24   18   13 o   48.336   20.687   1.5847   12.322   17.385   30.283  -1.5505   13.489   79.032   33.058   47.499   20.964 31.53328 39.14484 
1 1 1  -24   18   14 o   46.632   20.867  -2.7249   13.840 -22.6829   30.795   2.3265   15.493   58.228   27.733   53.134   22.973 5.093208 36.01209 
1 1 1  -24   18   15 o   53.815   22.008   7.2596   13.017 -23.0146   26.931   16.488   14.869   52.873   25.384   65.826   24.462 -12.95280 35.25243 
1 1 1  -24   18   16 o   71.744   24.538   22.324   14.652   21.073   26.466   22.876   17.594   72.758   30.695   72.330   26.662 0.4280624 40.65751 
1 1 1  -24   18   17 o   47.355   21.460  -0.9082   15.169   16.049   32.186  -5.7504   17.199   68.373   31.091   46.855   21.812 21.51754 37.97937 
1 1 1  -24   20    1 o  283.410   7.7135  278.521   15.130  268.709   20.661  289.867   22.217  278.108   10.734  288.809   11.115 -10.70084 15.45203 
1 1 1  -24   20    2 o  253.442   8.7931  222.885   15.424  185.896   22.027  258.472   21.605  230.586   13.866  272.669   11.448 -42.08240 17.98170 
1 1 1  -24   20    3 o  379.803   9.9353  501.002   26.117   0.0000   0.0000  501.002   26.117  ?   ?   379.803   9.9353 0.000000 9.935292 
1 1 1  -24   20    4 o   63.402   26.224   4.4555   18.752   4.4555   18.752   0.0000   0.0000   63.402   26.224  ?   ?  0.000000 26.22356 
1 1 1  -24   20    5 o  461.998   6.6144  740.030   21.150  673.523   28.818  817.672   31.137  440.314   9.4564  485.186   9.2724 -44.87170 13.24394 
1 1 1  -24   20    6 o  175.555   12.251  107.956   14.792  101.460   20.561  114.925   21.296  169.006   17.848  180.117   17.296 -11.11058 24.85372 
1 1 1  -24   20    7 o  101.765   21.933   38.185   14.993   20.003   20.874   57.557   21.547   80.243   29.122  124.424   25.865 -44.18127 38.95009 
1 1 1  -24   20    8 o  177.034   18.427  112.303   22.247   0.0000   0.0000  112.303   22.247  ?   ?   177.034   18.427 0.000000 18.42677 
1 1 1  -24   20    9 o  117.505   17.960   50.269   14.143   0.0000   0.0000   50.269   14.143  ?   ?   117.505   17.960 0.000000 17.96016 
1 1 1  -24   20   10 o  197.952   9.7587  137.166   13.370  120.293   30.576  141.154   14.866  178.181   25.523  200.286   10.764 -22.10522 27.69983 
1 1 1  -24   20   11 o   87.785   20.323   29.327   12.104   34.834   28.101   28.073   13.411   94.802   33.868   85.358   22.414 9.444618 40.61298 
1 1 1  -24   20   12 o   96.859   18.686   35.511   12.073   2.4034   31.347   41.278   13.082   72.116   31.887  104.576   18.764 -32.46023 36.99793 
1 1 1  -24   20   13 o   88.820   20.886   30.993   12.624   21.800   29.015   33.140   14.020   80.841   32.936   91.220   22.377 -10.37853 39.81789 
1 1 1  -24   20   14 o   76.656   22.841   23.919   13.027 -21.2927   28.791   35.558   14.608   56.371   26.839   93.287   22.814 -36.91553 35.22515 
1 1 1  -24   20   15 f   63.132   25.915   12.192   18.133  -2.1859   28.516   21.952   23.495   62.531   28.746   74.370   29.873 -11.83885 41.45742 
1 1 1  -24   20   16 o   86.101   24.192   33.003   15.013   23.678   29.427   36.285   17.456   74.617   31.954   88.394   26.464 -13.77647 41.48912 
1 1 1  -24   20   17 o   43.249   19.720  -2.3916   13.060   33.068   31.354  -9.8347   14.365   76.259   32.827   40.541   19.201 35.71859 38.03066 
1 1 1  -24   22    1 o  367.595   7.8050  468.670   19.857  421.854   33.832  493.274   24.526  347.873   14.052  376.928   9.4014 -29.05545 16.90688 
1 1 1  -24   22    2 o  663.318   6.6313  1525.17   30.444  1489.70   42.570  1562.29   43.554  655.010   9.3904  670.780   9.3815 -15.77026 13.27374 
1 1 1  -24   22    3 o  319.537   8.8234  354.437   19.513  362.522   23.656  337.220   34.519  322.942   10.584  310.148   16.137 12.79413 19.29799 
1 1 1  -24   22    4 o  148.591   14.034   77.720   14.262   85.657   19.393   68.373   21.046  155.161   18.419  137.288   22.961 17.87378 29.43536 
1 1 1  -24   22    5 o  397.589   7.0183  548.319   19.313  499.289   27.045  599.339   27.588  378.882   10.313  415.251   9.5991 -36.36908 14.08926 
1 1 1  -24   22    6 f  111.581   19.860   45.254   14.775   36.979   20.706   53.838   21.090   99.819   28.539  120.341   26.074 -20.52191 38.65659 
1 1 1  -24   22    7 o  241.958   8.6015  203.596   14.404  189.122   30.440  207.772   16.351  230.185   19.285  244.268   9.6714 -14.08322 21.57413 
1 1 1  -24   22    8 o  142.240   22.405   74.493   21.327   0.0000   0.0000   74.493   21.327  ?   ?   142.240   22.405 0.000000 22.40522 
1 1 1  -24   22    9 o   40.865   19.080 -11.7239   13.315   0.0000   0.0000 -11.7239   13.315  ?   ?    40.865   19.080 0.000000 19.07982 
1 1 1  -24   22   10 o   34.018   16.415 -17.2129   11.612 -17.6780   27.741 -17.1141   12.786   59.980   27.848   36.552   17.533 23.42857 32.90783 
1 1 1  -24   22   11 o   56.541   22.272   7.9981   12.813   10.820   28.361   7.2745   14.363   75.409   31.792   57.764   23.303 17.64587 39.41782 
1 1 1  -24   22   12 o   37.969   17.768  -9.9318   11.655 -64.5854   29.733  -0.0093   12.669   46.540   23.181   47.609   20.679 -1.068935 31.06460 
1 1 1  -24   22   13 o   41.648   18.949  -5.2037   11.976  -7.9561   28.092  -4.5924   13.239   62.076   28.534   44.428   20.098 17.64788 34.90211 
1 1 1  -24   22   14 o   50.741   21.255   4.5351   12.546  -6.2732   27.897   7.2751   14.046   61.304   28.273   55.432   22.787 5.872196 36.31282 
1 1 1  -24   22   15 o   65.137   27.980   11.103   22.687   35.102   30.978 -16.6585   33.318   84.928   34.236   60.218   28.726 24.71030 44.69124 
1 1 1  -24   22   16 o   69.866   24.658   21.488   14.853   10.859   29.548   25.082   17.182   66.758   30.129   73.947   26.475 -7.189079 40.10837 
1 1 1  -24   22   17 o   36.459   17.777 -18.6637   14.566  -9.8000   29.408 -21.5453   16.768   55.179   26.500   38.547   18.855 16.63249 32.52323 
1 1 1  -24   24    1 f  150.120   15.337   79.527   15.711   41.244   27.309   98.466   19.208  106.780   33.324  166.901   16.859 -60.12148 37.34566 
1 1 1  -24   24    2 o  353.984   8.6010  434.966   21.072  363.659   37.168  468.744   25.581  321.871   16.742  367.263   10.064 -45.39255 19.53394 
1 1 1  -24   24    3 o   46.570   23.069 -63.4634   27.882   0.0000   0.0000 -63.4634   27.882  ?   ?    46.570   23.069 0.000000 23.06881 
1 1 1  -24   24    4 o   87.164   23.010   27.917   14.085   8.7307   19.585   48.472   20.272   68.139   27.308  114.333   26.181 -46.19402 37.83141 
1 1 1  -24   24    5 o  183.658   11.874  118.083   15.013  130.679   21.429  105.939   21.040  192.318   16.251  172.626   17.869 19.69144 24.15340 
1 1 1  -24   24    6 o  300.818   8.5644  314.586   17.831   0.0000   0.0000  314.586   17.831  ?   ?   300.818   8.5644 0.000000 8.564413 
1 1 1  -24   24    7 o  173.968   13.693  106.862   16.354   0.0000   0.0000  106.862   16.354  ?   ?   173.968   13.693 0.000000 13.69336 
1 1 1  -24   24    8 f   71.003   23.820   17.605   13.804   0.0000   0.0000   17.605   13.804  ?   ?    71.003   23.820 0.000000 23.82023 
1 1 1  -24   24    9 o   81.064   23.256   24.848   13.728   0.0000   0.0000   24.848   13.728  ?   ?    81.064   23.256 0.000000 23.25607 
1 1 1  -24   24   10 o  121.715   15.313   53.724   12.614   33.249   28.990   58.506   14.010   93.996   34.288  126.698   16.359 -32.70156 37.99057 
1 1 1  -24   24   11 o   58.306   21.392   10.901   11.308   28.220   27.818   7.4732   12.377   87.656   33.270   55.179   21.841 32.47747 39.79834 
1 1 1  -24   24   12 o  121.132   15.132   53.904   12.409   16.849   29.600   61.805   13.668   78.380   32.726  129.614   15.547 -51.23410 36.23070 
1 1 1  -24   24   13 o   59.642   22.001   12.208   11.984   54.098   28.461   3.1799   13.212  107.537   34.084   50.783   21.570 56.75341 40.33564 
1 1 1  -24   24   14 o   62.836   25.599   11.740   17.527   40.863   29.336  -4.4278   21.858   91.883   34.317   55.687   25.438 36.19596 42.71743 
1 1 1  -24   24   15 o   76.077   23.728   24.986   13.849 -14.2781   29.913   35.698   15.624   57.782   27.467   90.278   24.417 -32.49602 36.75067 
1 1 1  -24   24   16 o   39.022   18.394  -9.1812   12.896  -9.1317   27.974  -9.1945   14.532   56.279   26.696   41.629   19.594 14.64974 33.11517 
1 1 1  -24   24   17 o   37.631   18.287 -17.0610   15.061 -18.1317   27.344 -16.5947   18.044   50.334   24.501   41.815   20.248 8.518631 31.78471 
1 1 1  -24   26    1 o  184.297   11.566  118.706   14.678   85.582   20.381  154.391   21.155  154.792   19.454  209.707   14.668 -54.91551 24.36403 
1 1 1  -24   26    2 o   89.049   29.138   27.712   20.692   7.5707   28.012   51.902   30.698   77.330   32.023  117.974   35.043 -40.64363 47.47073 
1 1 1  -24   26    3 o  587.017   9.5282  1197.81   38.711  1118.05   54.832  1277.07   54.661  565.675   14.005  604.946   13.055 -39.27197 19.14636 
1 1 1  -24   26    4 f  212.115   12.376  157.505   18.089   72.244   34.811  189.045   21.172  137.238   36.148  232.269   13.225 -95.03040 38.49094 
1 1 1  -24   26    5 o  271.150   9.0998  255.718   17.077   0.0000   0.0000  255.718   17.077  ?   ?   271.150   9.0998 0.000000 9.099793 
1 1 1  -24   26    6 o  180.885   12.815  115.131   15.940   0.0000   0.0000  115.131   15.940  ?   ?   180.885   12.815 0.000000 12.81512 
1 1 1  -24   26    7 o  256.655   13.120  231.993   23.228   0.0000   0.0000  231.993   23.228  ?   ?   256.655   13.120 0.000000 13.12016 
1 1 1  -24   26    8 o   79.639   23.345   23.764   13.700   0.0000   0.0000   23.764   13.700  ?   ?    79.639   23.345 0.000000 23.34514 
1 1 1  -24   26    9 o  122.047   16.940   54.358   13.923   0.0000   0.0000   54.358   13.923  ?   ?   122.047   16.940 0.000000 16.94007 
1 1 1  -24   26   10 o   72.036   22.791   19.462   12.730   6.0049   26.248   23.601   14.557   70.428   30.169   78.513   24.301 -8.085411 38.73908 
1 1 1  -24   26   11 o  178.804   10.662  113.373   13.135  134.244   29.921  108.391   14.619  186.328   23.741  174.169   12.205 12.15959 26.69466 
1 1 1  -24   26   12 o  125.526   14.618   57.796   12.462  113.415   29.552   45.767   13.743  167.269   26.402  109.524   18.808 57.74429 32.41642 
1 1 1  -24   26   13 o   78.787   21.773   25.072   12.268   8.2488   28.251   28.982   13.619   69.732   30.571   84.210   22.805 -14.47875 38.14042 
1 1 1  -24   26   14 o   37.510   17.855 -12.8076   12.728   28.990   28.399 -23.3140   14.238   81.453   32.799   35.338   17.304 46.11520 37.08396 
1 1 1  -24   26   15 o   71.571   23.436   22.054   13.385  -6.2341   29.675   29.279   14.998   60.146   28.211   81.148   24.583 -21.00210 37.41878 
1 1 1  -24   26   16 o   59.194   25.730   9.8232   19.641   3.8849   27.361   16.137   28.211   60.655   27.983   67.253   29.965 -6.598866 40.99913 
1 1 1  -24   28    1 o  208.382   10.919  151.592   15.693  154.424   22.595  148.952   21.812  209.360   15.708  205.659   15.436 3.700592 22.02329 
1 1 1  -24   28    2 o  248.363   10.230  214.646   17.585  179.878   21.090  293.951   31.852  226.504   13.515  289.076   15.982 -62.57135 20.93017 
1 1 1  -24   28    3 o  251.848   9.1747  220.541   15.992  220.937   23.529  220.201   21.802  251.008   13.595  251.137   12.543 -0.1294403 18.49718 
1 1 1  -24   28    4 o  233.353   10.466  189.732   16.903   0.0000   0.0000  189.732   16.903  ?   ?   233.353   10.466 0.000000 10.46562 
1 1 1  -24   28    5 o   51.353   21.934   0.3674   13.802   0.0000   0.0000   0.3674   13.802  ?   ?    51.353   21.934 0.000000 21.93426 
1 1 1  -24   28    6 o  227.779   10.898  181.355   17.180   0.0000   0.0000  181.355   17.180  ?   ?   227.779   10.898 0.000000 10.89777 
1 1 1  -24   28    7 o  253.174   9.6257  223.900   16.867   0.0000   0.0000  223.900   16.867  ?   ?   253.174   9.6257 0.000000 9.625743 
1 1 1  -24   28    8 o   87.434   22.627   29.114   13.798   0.0000   0.0000   29.114   13.798  ?   ?    87.434   22.627 0.000000 22.62656 
1 1 1  -24   28    9 o  136.764   13.479   67.003   12.593   91.805   27.302   60.301   14.193  153.657   26.637  128.669   16.303 24.98834 31.23031 
1 1 1  -24   28   10 o   68.068   22.006   17.233   11.820   15.966   27.397   17.523   13.102   77.826   31.889   69.081   23.206 8.744598 39.43913 
1 1 1  -24   28   11 o  169.815   11.140  102.716   13.020  123.366   28.576   97.306   14.626  177.800   23.820  164.441   12.956 13.35873 27.11566 
1 1 1  -24   28   12 o   94.659   18.933   34.633   11.971   67.171   27.798   27.225   13.264  122.305   32.343   82.260   22.601 40.04578 39.45778 
1 1 1  -24   28   13 o   70.919   26.547   19.338   17.574   64.195   28.851  -7.1259   22.160  115.308   33.900   54.897   25.275 60.41130 42.28499 
1 1 1  -24   28   14 o   54.395   21.868   8.5333   12.602 -25.2634   27.023   17.927   14.247   51.691   24.966   66.832   24.089 -15.14112 34.69282 
1 1 1  -24   28   15 o   70.390   23.136   21.492   13.040   36.254   25.684   16.365   15.136   83.530   31.905   63.928   24.475 19.60196 40.21099 
1 1 1  -24   28   16 o   90.304   21.662   36.064   13.365   18.137   25.362   42.957   15.726   66.460   29.056   96.727   23.681 -30.26740 37.48367 
1 1 1  -24   30    1 o  396.122   8.1789  545.170   22.424  515.766   26.616  617.073   41.622  384.916   9.9909  419.717   14.328 -34.80124 17.46740 
1 1 1  -24   30    2 f   68.234   23.658   15.234   13.639   22.201   18.645   7.2179   20.002   80.894   27.681   66.964   27.321 13.92982 38.89305 
1 1 1  -24   30    3 o  200.687   9.6728  140.247   13.435   92.683   26.717  156.346   15.544  158.626   25.177  211.491   10.653 -52.86487 27.33794 
1 1 1  -24   30    4 o   94.173   25.935   33.261   17.441   26.385   25.642   39.180   23.793   89.457   32.306  102.021   30.976 -12.56461 44.75705 
1 1 1  -24   30    5 o  289.120   7.7333  290.741   15.475  184.488   30.663  327.052   17.925  226.386   19.768  306.493   8.4500 -80.10641 21.49822 
1 1 1  -24   30    6 o   68.660   25.553   14.188   16.237 -22.8829   28.658   31.714   19.705   59.702   27.913   91.630   28.259 -31.92822 39.72079 
1 1 1  -24   30    7 o   74.303   22.385   20.528   12.461   32.000   26.597   17.302   14.105   93.351   32.991   70.387   24.076 22.96316 40.84187 
1 1 1  -24   30    8 o   76.613   21.918   22.234   12.209 -51.1707   25.505   44.053   13.905   45.268   22.358  108.772   19.171 -63.50390 29.45228 
1 1 1  -24   30    9 o   42.859   19.597  -7.1561   13.013   34.859   26.001 -21.1964   15.031   93.856   32.659   38.771   18.700 55.08519 37.63377 
1 1 1  -24   30   10 o   42.191   18.941  -3.8547   11.501 -18.6293   28.262  -0.9224   12.591   58.836   27.576   46.748   20.454 12.08817 34.33334 
1 1 1  -24   30   11 o   39.347   18.108  -6.8139   11.358 -20.1415   25.427  -3.4922   12.694   54.116   25.607   44.457   19.933 9.659222 32.45010 
1 1 1  -24   30   12 o   86.371   19.933   29.442   11.674   2.5405   26.490   35.925   13.005   65.273   29.063   95.420   20.315 -30.14735 35.45916 
1 1 1  -24   30   13 o   48.341   21.105   1.0307   13.339   0.0000   0.0000   1.0307   13.339  ?   ?    48.341   21.105 0.000000 21.10465 
1 1 1  -24   30   14 o  145.666   13.516   78.946   13.471   83.073   28.142   77.720   15.343  130.961   31.445  142.748   15.794 -11.78641 35.18847 
1 1 1  -24   30   15 o   40.534   19.023  -8.4464   13.528 -60.7805   27.407   8.4092   15.554   41.749   21.000   55.627   23.503 -13.87759 31.51845 
1 1 1  -24   30   16 o  107.576   18.225   48.127   13.085   51.659   25.900   46.917   15.162   91.140   32.519  102.222   22.077 -11.08209 39.30452 
1 1 1  -24   32    1 o   83.611   25.116   25.654   15.704   14.041   19.374   47.898   26.814   72.346   27.692  111.975   32.613 -39.62861 42.78375 
1 1 1  -24   32    2 o  128.690   14.193   58.845   12.431   53.951   24.998   60.452   14.329  118.640   30.328  129.934   16.292 -11.29422 34.42664 
1 1 1  -24   32    3 o  196.684   9.7891  134.900   13.326  143.024   27.632  132.438   15.211  199.088   20.339  194.303   11.361 4.785400 23.29704 
1 1 1  -24   32    4 o   52.362   21.303   4.4468   12.118   24.195   23.915  -2.3748   14.056   85.629   31.157   49.213   21.570 36.41557 37.89472 
1 1 1  -24   32    5 o  206.288   9.9029  148.710   14.139  182.634   28.082  137.190   16.364  225.382   18.157  197.329   12.040 28.05301 21.78569 
1 1 1  -24   32    6 o  160.874   11.704   91.420   12.942   80.488   25.453   95.232   15.031  145.107   26.313  163.709   13.383 -18.60211 29.52080 
1 1 1  -24   32    7 o  107.539   17.499   42.555   12.577   37.941   25.387   44.055   14.478   98.229   32.281  108.541   20.010 -10.31227 37.98001 
1 1 1  -24   32    8 o  126.813   14.986   58.249   12.899   52.146   25.959   60.250   14.863  112.373   31.895  128.129   17.194 -15.75608 36.23418 
1 1 1  -24   32    9 o   61.656   21.979   12.956   11.830  -0.1415   26.417   16.241   13.230   66.178   29.266   67.266   23.303 -1.088348 37.41017 
1 1 1  -24   32   10 o  111.969   16.416   46.573   12.344   41.673   26.645   47.912   13.928   98.329   33.093  112.597   18.517 -14.26712 37.92144 
1 1 1  -24   32   11 o   61.940   21.660   13.985   11.444   18.541   25.808   12.870   12.767   76.016   31.026   61.340   22.693 14.67570 38.43947 
1 1 1  -24   32   12 o   61.879   24.911   11.276   16.377   2.1585   26.326   17.032   20.917   64.297   28.775   70.523   28.237 -6.226433 40.31507 
1 1 1  -24   32   13 o   38.762   18.393 -12.3252   13.303   28.766   27.441 -24.9483   15.210   80.697   32.331   36.308   17.801 44.38921 36.90738 
1 1 1  -24   32   14 o   52.647   21.698   7.3692   12.775   26.546   27.674   2.1754   14.402   76.548   31.775   49.747   21.818 26.80129 38.54422 
1 1 1  -24   32   15 o   37.409   17.788 -10.6350   12.567 -41.4146   27.491  -2.5034   14.130   45.531   22.615   44.920   20.494 0.6107140 30.51901 
1 1 1  -24   34    1 o   58.153   22.037   9.1395   12.193 -10.4537   25.203   15.126   13.932   61.328   27.739   67.890   23.890 -6.561737 36.60792 
1 1 1  -24   34    2 o   60.275   21.979   11.035   11.911 -11.2439   25.856   17.036   13.419   61.692   27.981   70.037   23.486 -8.344513 36.53118 
1 1 1  -24   34    3 o  174.292   10.514  106.613   12.624   96.780   25.717  109.734   14.490  161.503   23.714  176.484   11.933 -14.98119 26.54660 
1 1 1  -24   34    4 o   91.352   19.824   31.131   12.174 -14.0780   24.556   45.863   14.018   58.127   26.704  111.708   18.798 -53.58121 32.65707 
1 1 1  -24   34    5 o  164.504   14.301   96.545   16.121   85.902   25.870  103.301   20.612  150.176   25.820  168.807   17.916 -18.63081 31.42711 
1 1 1  -24   34    6 o   41.203   18.763  -6.3592   11.774 -34.3707   23.730   2.7886   13.561   47.967   23.225   52.484   22.048 -4.516232 32.02346 
1 1 1  -24   34    7 o   65.862   22.343   15.410   12.147   9.4585   24.027   17.453   14.079   70.914   29.536   69.955   24.049 0.9586868 38.08839 
1 1 1  -24   34    8 o   33.141   16.267 -24.2231   12.817 -26.2927   25.428 -23.5182   14.840   52.645   25.109   37.329   18.143 15.31662 30.97746 
1 1 1  -24   34    9 o  157.742   11.787   88.886   12.775   84.244   27.916   90.116   14.368  142.909   29.210  158.193   13.245 -15.28488 32.07304 
1 1 1  -24   34   10 o   53.366   21.280   7.1078   11.830   9.1610   25.336   6.5354   13.378   69.465   29.696   54.753   22.342 14.71242 37.16169 
1 1 1  -24   34   11 o  109.741   16.724   45.514   12.301   91.756   27.684   34.140   13.730  146.848   28.265   92.113   21.864 54.73469 35.73440 
1 1 1  -24   34   12 o   78.432   23.531   25.708   13.790   0.0000   0.0000   25.708   13.790  ?   ?    78.432   23.531 0.000000 23.53065 
1 1 1  -24   34   13 o   82.566   21.854   28.661   12.684   21.639   28.241   30.435   14.196   74.718   31.625   84.064   23.491 -9.345573 39.39507 
1 1 1  -24   34   14 o   70.170   23.403   21.558   13.325   15.405   24.974   24.007   15.755   67.137   29.097   72.869   25.419 -5.732353 38.63638 
1 1 1  -24   34   15 o   39.281   18.331  -6.1910   12.265   14.088   25.373 -12.3739   14.010   63.715   28.401   38.535   18.449 25.18011 33.86722 
1 1 1  -24   36    1 o  206.920   9.3133  149.506   13.338  143.268   26.962  151.527   15.347  198.554   19.888  207.749   10.710 -9.194962 22.58807 
1 1 1  -24   36    2 o  135.657   13.078   65.418   12.127   84.976   26.887   60.423   13.587  149.131   27.045  129.643   15.446 19.48848 31.14558 
1 1 1  -24   36    3 o  202.603   9.1714  143.406   12.861  121.707   26.524  150.076   14.705  181.767   21.500  207.014   10.263 -25.24719 23.82392 
1 1 1  -24   36    4 o  130.840   17.369   62.364   15.340   61.561   25.344   62.828   19.270  124.589   29.793  129.333   22.335 -4.744469 37.23591 
1 1 1  -24   36    5 o  149.493   12.156   79.350   12.468   80.390   26.010   79.039   14.207  143.736   27.140  148.599   13.978 -4.862793 30.52838 
1 1 1  -24   36    6 o  200.738   10.659  142.172   14.756  159.219   26.554  134.556   17.749  208.521   18.595  194.245   13.282 14.27667 22.85109 
1 1 1  -24   36    7 o   39.938   18.427  -7.9770   11.868   20.151   24.210 -16.8746   13.616   79.093   30.772   38.109   18.230 40.98372 35.76648 
1 1 1  -24   36    8 o  207.433   9.4692  151.425   13.595  161.415   28.911  148.589   15.404  207.198   20.426  204.653   10.915 2.545273 23.15952 
1 1 1  -24   36    9 o   48.173   20.559   1.8161   12.106   7.1805   26.262   0.3685   13.642   69.286   29.934   49.339   21.445 19.94736 36.82268 
1 1 1  -24   36   10 o   63.821   22.306   15.081   12.135  -9.2537   25.417   22.266   13.811   58.380   26.947   74.617   23.753 -16.23611 35.92112 
1 1 1  -24   36   11 o  115.337   22.131   53.632   17.024   44.698   27.618   59.107   21.619   96.758   33.659  117.097   27.197 -20.33902 43.27374 
1 1 1  -24   36   12 o   58.523   22.698   11.520   13.140   34.463   28.156   5.1315   14.857   85.265   33.182   53.667   22.836 31.59866 40.28054 
1 1 1  -24   36   13 o   77.545   21.433   25.453   11.887   23.444   25.794   25.994   13.393   74.181   30.725   77.365   23.185 -3.183998 38.49082 
1 1 1  -24   36   14 o   44.239   19.690   0.1349   12.146   3.7229   24.834  -0.9934   13.926   59.256   27.086   45.864   20.693 13.39142 34.08602 
1 1 1  -24   38    1 o  192.474   9.5301  129.626   12.695  122.732   25.981  131.789   14.551  182.487   20.950  193.449   10.912 -10.96219 23.62179 
1 1 1  -24   38    2 o   65.186   21.723   15.033   11.482   7.0244   23.765   17.471   13.114   69.512   29.193   69.821   23.213 -0.3084564 37.29768 
1 1 1  -24   38    3 o   41.288   18.740  -5.8331   11.625   7.0537   24.480  -9.5856   13.210   70.122   29.549   41.820   19.346 28.30191 35.31857 
1 1 1  -24   38    4 o  170.120   13.889  103.488   16.211   67.902   27.029  123.480   20.259  129.608   30.619  184.993   15.980 -55.38440 34.53805 
1 1 1  -24   38    5 o  232.373   8.5135  188.927   13.692  167.610   27.687  195.828   15.753  213.621   18.922  236.216   9.6357 -22.59555 21.23436 
1 1 1  -24   38    6 o   37.744   17.652  -9.9708   11.476   74.780   23.679 -35.9884   13.120  137.921   25.753   29.650   14.863 108.2713 29.73458 
1 1 1  -24   38    7 o  122.654   17.166   55.794   14.173   91.171   26.243   41.227   16.840  151.672   25.931  101.906   24.230 49.76564 35.48989 
1 1 1  -24   38    8 o  160.196   11.844   91.879   13.039   85.610   27.659   93.671   14.785  143.649   28.822  161.022   13.388 -17.37288 31.77991 
1 1 1  -24   38    9 o  153.590   12.051   84.928   12.707   51.317   26.177   95.290   14.535  106.711   32.511  162.206   13.057 -55.49505 35.03506 
1 1 1  -24   38   10 o   90.667   19.834   32.464   12.100   26.224   25.769   34.229   13.704   80.863   31.668   92.051   21.840 -11.18818 38.46840 
1 1 1  -24   38   11 o   47.190   20.155   2.5798   11.653 -46.5707   27.030   13.799   12.914   46.017   22.780   61.492   22.808 -15.47564 32.23592 
1 1 1  -24   38   12 o   68.753   21.914   19.640   11.753   11.073   25.794   21.885   13.203   66.751   29.239   71.863   23.261 -5.112679 37.36331 
1 1 1  -24   38   13 o   36.559   17.470 -12.3849   12.433  -2.3605   26.167 -15.3077   14.130   58.235   27.041   37.999   18.279 20.23576 32.63960 
1 1 1  -24   38   14 o   36.840   17.350  -7.8761   11.424 -42.0049   22.924   3.3986   13.176   40.299   20.118   47.895   20.941 -7.595615 29.03901 
1 1 1  -24   40    1 o   93.222   20.445   32.943   12.828   24.590   23.908   36.320   15.202   83.894   31.050   97.104   22.978 -13.20955 38.62743 
1 1 1  -24   40    2 o  118.064   14.803   50.464   11.830   63.220   25.122   46.830   13.410  125.374   29.451  112.584   17.802 12.79021 34.41356 
1 1 1  -24   40    3 o   87.046   24.667   29.521   15.540   20.907   25.100   34.875   19.789   80.899   31.372   93.697   28.205 -12.79753 42.18662 
1 1 1  -24   40    4 o   45.248   19.754  -1.0302   11.686  -2.5366   23.847  -0.5542   13.406   62.260   27.656   48.771   21.228 13.48933 34.86404 
1 1 1  -24   40    5 o  150.862   12.144   81.254   12.572   77.854   26.179   82.274   14.334  138.955   28.184  151.120   13.859 -12.16493 31.40740 
1 1 1  -24   40    6 o   97.370   19.015   36.043   12.355   37.629   25.012   35.530   14.209   95.089   32.063   95.395   21.974 -0.3064651 38.87022 
1 1 1  -24   40    7 o   44.670   20.774 -10.7095   15.538   16.171   24.267 -29.3873   20.229   74.274   30.174   43.632   21.201 30.64241 36.87767 
1 1 1  -24   40    8 o  109.940   17.386   45.632   12.789   5.8146   24.303   60.880   15.040   66.054   28.666  127.188   17.553 -61.13406 33.61319 
1 1 1  -24   40    9 o   42.521   19.206  -3.9339   12.034   3.2717   25.457  -6.0077   13.657   64.690   28.663   43.885   20.070 20.80511 34.99080 
1 1 1  -24   40   10 o   38.922   18.906 -22.4800   16.052 -30.8000   25.550 -17.0545   20.633   49.000   23.813   48.024   22.823 0.9763489 32.98431 
1 1 1  -24   40   11 o  116.245   15.587   51.346   12.224   39.054   27.354   54.413   13.665   88.744   33.140  118.657   17.136 -29.91298 37.30764 
1 1 1  -24   40   12 o   37.467   17.551  -8.0372   11.425   16.878   26.204 -13.8851   12.695   69.570   29.979   36.414   17.468 33.15594 34.69673 
1 1 1  -24   40   13 o   48.862   20.560   5.5659   11.825 -29.8878   25.656   15.129   13.324   46.913   23.024   60.889   23.046 -13.97585 32.57633 
1 1 1  -24   42    1 o   36.102   17.063 -11.7478   11.230 -12.1171   22.438 -11.6244   12.971   55.026   25.370   39.799   18.662 15.22754 31.49487 
1 1 1  -24   42    2 o  104.969   18.379   41.251   12.866   60.488   23.940   33.439   15.256  121.970   28.817   92.341   23.740 29.62945 37.33639 
1 1 1  -24   42    3 o  116.177   19.606   50.902   15.203   6.4780   24.069   80.394   19.611   68.016   29.007  146.430   19.863 -78.41305 35.15573 
1 1 1  -24   42    4 o   60.805   21.671   12.629   11.499   17.102   23.026   11.143   13.273   75.037   29.762   60.514   22.978 14.52279 37.59982 
1 1 1  -24   42    5 o  101.063   17.763   38.430   11.971   75.415   25.238   27.692   13.599  136.001   27.752   83.771   22.830 52.22965 35.93590 
1 1 1  -24   42    6 o  163.508   12.390   96.043   13.917  132.293   26.320   81.975   16.397  186.288   20.767  149.084   16.149 37.20335 26.30743 
1 1 1  -24   42    7 o   34.654   16.721 -16.7098   12.047   15.868   24.213 -27.4271   13.888   73.153   29.977   33.629   16.589 39.52430 34.26131 
1 1 1  -24   42    8 o   57.175   22.013   10.181   12.290   36.117   24.781   1.7219   14.153   90.294   31.852   50.733   21.946 39.56024 38.68042 
1 1 1  -24   42    9 o   71.773   22.509   20.894   12.443   39.239   24.334   14.400   14.479   92.095   31.620   63.591   24.035 28.50420 39.71768 
1 1 1  -24   42   10 o   48.390   20.508   3.5881   11.900   7.4390   24.176   2.3567   13.671   64.292   28.231   49.730   21.541 14.56247 35.51092 
1 1 1  -24   42   11 o   54.017   20.944   9.6948   11.185   22.263   23.971   6.1970   12.646   73.270   29.903   51.513   21.439 21.75709 36.79448 
1 1 1  -24   42   12 o   45.322   20.032   0.7212   12.360   17.707   25.172  -4.6752   14.188   68.417   29.433   43.970   20.236 24.44700 35.71816 
1 1 1  -24   42   13 o   72.165   21.914   23.503   11.907   47.078   25.126   16.675   13.522   89.071   32.003   61.949   23.267 27.12201 39.56685 
1 1 1  -24   44    1 f   89.422   18.733   30.425   11.222   36.478   23.805   28.695   12.725   93.979   31.278   85.834   21.474 8.145287 37.93982 
1 1 1  -24   44    2 f   54.953   23.036   4.3854   14.753   25.537   23.537  -9.3025   18.934   82.709   30.769   51.115   23.470 31.59356 38.69845 
1 1 1  -24   44    3 o   58.103   22.271   9.9981   12.542 -27.9805   22.675   26.742   15.056   47.825   23.043   82.048   24.580 -34.22289 33.69165 
1 1 1  -24   44    4 o   72.033   21.318   20.141   11.376   10.824   21.993   23.544   13.292   68.258   28.329   77.301   23.081 -9.042084 36.54177 
1 1 1  -24   44    5 o  184.452   11.149  121.396   14.166  103.854   26.670  128.291   16.719  161.566   24.629  188.697   12.879 -27.13133 27.79329 
1 1 1  -24   44    6 o  129.549   13.967   61.400   12.325   51.610   24.855   64.593   14.193  107.703   31.408  131.909   15.864 -24.20658 35.18670 
1 1 1  -24   44    7 o   75.615   21.759   22.957   12.001   4.2785   23.714   29.388   13.914   63.726   27.972   84.811   23.086 -21.08504 36.26807 
1 1 1  -24   44    8 o   29.836   14.798 -25.1733   11.610 -21.6195   23.248 -26.3541   13.401   49.631   23.763   32.842   16.218 16.78921 28.77007 
1 1 1  -24   44    9 o  115.425   27.899   59.447   22.041   0.0000   0.0000   59.447   22.041  ?   ?   115.425   27.899 0.000000 27.89949 
1 1 1  -24   44   10 o   77.773   21.975   25.532   12.351   39.107   25.121   21.204   14.184   88.456   31.972   70.748   24.144 17.70804 40.06384 
1 1 1  -24   44   11 o   78.926   21.120   26.506   11.763   21.215   23.042   28.371   13.681   70.933   29.176   80.200   23.277 -9.266769 37.32351 
1 1 1  -24   44   12 o   33.499   16.127 -12.6634   11.053  -0.8824   23.732 -15.9266   12.490   55.665   25.814   34.508   16.742 21.15704 30.76817 
1 1 1  -24   46    1 o   83.570   20.205   27.209   11.558  -0.6859   23.790   35.828   13.224   61.995   27.577   96.005   20.523 -34.00997 34.37542 
1 1 1  -24   46    2 o   81.100   21.185   25.874   12.022   50.146   23.767   17.529   13.936  107.817   30.490   68.647   23.908 39.17055 38.74564 
1 1 1  -24   46    3 o   49.832   20.639   4.2410   11.639  -2.0932   23.098   6.3965   13.474   60.124   26.927   54.738   22.389 5.386139 35.01882 
1 1 1  -24   46    4 o  132.506   15.204   64.764   13.691   54.244   24.190   69.722   16.607  111.341   30.494  135.860   18.112 -24.51926 35.46725 
1 1 1  -24   46    5 f   42.861   19.613  -6.1549   13.065   0.2999   23.201  -9.1524   15.811   61.052   27.190   45.607   21.121 15.44552 34.42991 
1 1 1  -24   46    6 o   54.344   21.502   8.2251   11.992   20.195   24.945   4.6272   13.676   75.738   30.655   52.603   22.122 23.13472 37.80360 
1 1 1  -24   46    7 o   53.130   21.246   7.6250   11.826   11.634   22.829   6.1545   13.826   67.134   28.425   53.960   22.434 13.17341 36.21156 
1 1 1  -24   46    8 o   60.775   24.138   11.942   15.165   31.780   24.128  -1.0125   19.497   83.476   31.133   54.675   24.593 28.80047 39.67529 
1 1 1  -24   46    9 o   48.268   23.419 -26.3902   24.439 -26.3902   24.439   0.0000   0.0000   48.268   23.419  ?   ?  0.000000 23.41856 
1 1 1  -24   46   10 o  104.974   17.147   43.401   12.028   52.390   25.140   40.733   13.697  100.069   32.067   99.000   20.659 1.069160 38.14559 
1 1 1  -24   46   11 o   77.868   22.680   27.089   12.968   24.190   23.508   28.357   15.547   71.794   29.493   77.698   25.249 -5.903984 38.82426 
1 1 1  -24   48    1 o   61.243   24.061   11.232   14.918   9.8634   23.236   12.192   19.457   67.625   28.658   66.257   26.980 1.367859 39.35938 
1 1 1  -24   48    2 o   40.576   18.478  -5.1048   11.422   37.785   23.892 -17.8100   13.004   92.729   31.337   35.936   17.347 56.79278 35.81806 
1 1 1  -24   48    3 o  159.572   10.994   91.230   12.068   87.171   24.621   92.514   13.845  146.062   25.269  159.842   12.617 -13.77977 28.24419 
1 1 1  -24   48    4 o   94.854   19.407   35.218   12.311   37.844   23.878   34.267   14.368   91.926   31.326   91.719   22.745 0.2072449 38.71266 
1 1 1  -24   48    5 f  147.005   14.216   79.677   14.283   66.244   25.438   85.861   17.261  121.327   30.365  150.860   16.818 -29.53371 34.71169 
1 1 1  -24   48    6 o  103.212   19.847   42.239   13.663   35.205   23.516   45.823   16.786   87.714   31.019  104.894   23.683 -17.18004 39.02631 
1 1 1  -24   48    7 o   72.174   22.202   21.530   12.172   37.107   24.336   16.333   14.056   88.351   31.522   65.055   23.854 23.29531 39.52980 
1 1 1  -24   48    8 o   36.569   17.339 -10.8997   11.774 -29.7415   24.311  -5.1262   13.458   47.015   22.933   43.259   19.835 3.756413 30.32073 
1 1 1  -24   48    9 o   58.044   21.645   12.703   11.662   22.912   23.217   9.2581   13.486   72.846   29.543   55.287   22.481 17.55850 37.12399 
1 1 1  -24   48   10 o   87.141   21.855   33.057   13.158   42.932   24.296   28.959   15.652   88.743   31.514   78.727   25.310 10.01615 40.41920 
1 1 1  -24   48   11 o   47.739   20.293   5.2234   11.711  -7.8098   23.066   9.7496   13.593   51.216   24.279   54.068   22.342 -2.851582 32.99441 
1 1 1  -24   50    1 o   63.786   21.773   15.544   11.535   32.595   25.376   11.102   12.951   86.248   31.975   58.722   22.601 27.52566 39.15633 
1 1 1  -24   50    2 o   40.664   18.429  -4.0980   11.188   16.468   22.787 -10.6308   12.843   71.242   29.124   39.287   18.469 31.95413 34.48687 
1 1 1  -24   50    3 f  105.275   16.494   42.116   11.623   58.829   24.897   37.458   13.143  113.272   30.901   97.070   20.220 16.20197 36.92830 
1 1 1  -24   50    4 o   33.744   16.232 -14.2184   11.138   10.659   22.378 -22.4104   12.842   65.885   28.030   33.278   16.324 32.60767 32.43697 
1 1 1  -24   50    5 o  116.497   15.386   51.179   12.102   84.683   24.213   40.022   13.973  141.132   25.736   99.407   20.969 41.72559 33.19714 
1 1 1  -24   50    6 o  109.375   17.115   46.292   12.531   36.693   23.623   50.051   14.782   87.663   31.080  111.901   19.812 -24.23753 36.85751 
1 1 1  -24   50    7 o   47.719   22.338  -9.7362   18.450   21.824   23.245 -63.4634   30.329   73.016   29.579   45.058   22.588 27.95874 37.21723 
1 1 1  -24   50    8 o  114.223   17.774   51.665   13.594   50.341   24.554   52.250   16.325   98.524   31.704  111.337   21.965 -12.81287 38.56911 
1 1 1  -24   50    9 o   64.253   21.499   17.555   11.245   56.780   23.308   5.6546   12.838  104.932   30.362   50.293   21.307 54.63902 37.09172 
1 1 1  -24   50   10 f   61.613   27.365   11.717   23.340   11.717   23.340   0.0000   0.0000   61.613   27.365  ?   ?  0.000000 27.36494 
1 1 1  -24   52    1 o  106.626   18.359   44.351   13.060   0.0000   0.0000   44.351   13.060  ?   ?   106.626   18.359 0.000000 18.35912 
1 1 1  -24   52    2 o   87.505   21.189   31.290   12.696   0.0000   0.0000   31.290   12.696  ?   ?    87.505   21.189 0.000000 21.18875 
1 1 1  -24   52    3 f   63.437   21.896   15.773   11.676   3.6576   21.516   20.831   13.901   59.727   26.413   71.020   23.903 -11.29239 35.62295 
1 1 1  -24   52    4 o   94.465   18.542   35.343   11.690   38.473   23.497   34.314   13.476   89.560   31.053   91.004   21.701 -1.443695 37.88451 
1 1 1  -24   52    5 f   49.687   20.594   5.4832   11.600   7.3220   22.800   4.8409   13.475   62.459   27.422   51.403   21.806 11.05659 35.03472 
1 1 1  -24   52    6 o   42.756   19.093  -1.3321   11.522   1.0132   22.900  -2.1271   13.333   58.183   26.367   45.022   20.286 13.16066 33.26767 
1 1 1  -24   52    7 o   50.493   20.813   6.6081   11.757   13.873   23.980   4.3091   13.490   66.046   28.569   50.234   21.576 15.81258 35.80113 
1 1 1  -24   52    8 o   47.710   20.735   3.0821   12.751 -17.6878   22.631   12.742   15.434   47.950   23.083   59.405   24.089 -11.45514 33.36288 
1 1 1  -24   52    9 f   59.893   24.003   14.398   15.130   17.556   22.712   11.878   20.287   65.196   27.999   60.207   26.160 4.989105 38.31847 
1 1 1  -24   54    1 o  109.375   15.604   45.635   11.478   31.112   23.329   50.273   13.183   81.724   30.587  113.737   17.292 -32.01260 35.13685 
1 1 1  -24   54    2 o  110.711   17.766   48.011   13.153   0.0000   0.0000   48.011   13.153  ?   ?   110.711   17.766 0.000000 17.76612 
1 1 1  -24   54    3 o  125.896   15.517   60.383   13.234   0.0000   0.0000   60.383   13.234  ?   ?   125.896   15.517 0.000000 15.51669 
1 1 1  -24   54    4 f  104.267   16.823   42.422   11.727   47.941   22.753   40.425   13.684   98.537   30.362   99.005   20.639 -0.4672928 36.71309 
1 1 1  -24   54    5 o   44.108   19.407   0.5181   11.474   5.4244   23.483  -1.0207   13.151   60.703   27.171   45.384   20.322 15.31895 33.93002 
1 1 1  -24   54    6 o   65.453   26.407   17.021   18.447   0.0000   0.0000   17.021   18.447  ?   ?    65.453   26.407 0.000000 26.40714 
1 1 1  -24   54    7 o   40.691   18.348  -1.7588   10.931 -10.4341   23.973   0.5182   12.282   51.888   24.643   44.689   19.849 7.198586 31.64268 
1 1 1  -24   54    8 o   43.038   19.074   0.8371   11.281 -19.0537   22.450   7.5555   13.048   46.296   22.458   51.436   21.618 -5.140411 31.17218 
1 1 1  -24   56    1 o   62.823   21.064   16.171   10.794 -22.9805   22.266   28.200   12.342   46.374   22.464   81.405   21.562 -35.03043 31.13803 
1 1 1  -24   56    2 o   60.022   21.737   14.217   11.621 -23.9366   21.907   29.157   13.709   45.538   22.112   81.567   23.187 -36.02916 32.04039 
1 1 1  -24   56    3 o   65.614   21.449   18.113   11.213   5.8049   24.396   21.409   12.625   61.231   27.529   70.322   22.745 -9.091324 35.70974 
1 1 1  -24   56    4 o   45.283   20.188  -0.1386   12.826   0.0000   0.0000  -0.1386   12.826  ?   ?    45.283   20.188 0.000000 20.18814 
1 1 1  -24   56    5 o   40.433   18.362  -2.6820   11.179 -12.6683   22.576   0.5621   12.868   49.781   23.719   45.644   20.293 4.137188 31.21586 
1 1 1  -24   56    6 o   75.123   22.946   25.761   13.028   28.176   24.806   24.841   15.310   73.734   30.293   72.411   25.068 1.323517 39.32063 
1 1 1  -24   58    1 o   99.018   17.235   39.286   11.382   23.937   22.679   44.454   13.160   71.663   29.148  104.010   18.980 -32.34773 34.78313 
1 1 1  -24   58    2 o   79.195   20.424   26.876   11.268   0.9517   23.064   35.003   12.913   56.458   25.916   90.188   21.068 -33.72996 33.39952 
1 1 1  -24   58    3 o   77.101   20.966   25.904   11.483   41.834   22.437   20.251   13.366   87.863   30.352   67.295   23.416 20.56828 38.33430 
1 1 1  -24   58    4 o   98.582   17.354   39.465   11.408   24.702   23.023   44.269   13.134   70.857   29.156  102.945   19.138 -32.08814 34.87632 
1 1 1  -23    1    1 o  169.075   9.6948   99.415   11.297  108.887   16.024   90.054   15.930  176.622   13.204  160.368   14.509 16.25395 19.61821 
1 1 1  -23    1    2 o  606.297   8.3209  1273.67   34.917  1275.61   49.302  1271.71   49.458  606.388   11.747  605.452   11.803 0.9353027 16.65231 
1 1 1  -23    1    3 o  642.970   8.6776  1432.61   38.616  1449.76   55.129  1416.10   54.108  646.352   12.323  638.817   12.238 7.534912 17.36768 
1 1 1  -23    1    4 o  232.070   8.3469  186.628   13.407  177.756   18.437  196.584   19.531  226.026   11.827  238.016   11.856 -11.99002 16.74601 
1 1 1  -23    1    5 o  245.502   8.2469  208.880   14.013  223.663   19.775  193.968   19.860  253.881   11.254  236.059   12.197 17.82207 16.59593 
1 1 1  -23    1    6 o  310.273   7.5911  333.618   16.301  344.569   23.253  323.034   22.859  315.108   10.662  305.089   10.826 10.01892 15.19467 
1 1 1  -23    1    7 o  389.711   7.0223  526.308   18.941  516.949   26.862  535.562   26.711  385.946   10.056  392.858   9.8239 -6.912415 14.05840 
1 1 1  -23    1    8 o   63.736   25.905   6.0583   17.896   2.7298   21.350   13.922   32.816   65.831   27.660   87.445   35.242 -21.61409 44.80027 
1 1 1  -23    1    9 o  128.067   28.987   60.863   25.094   47.590   35.818   73.659   35.168  115.746   38.359  139.688   36.111 -23.94131 52.68187 
1 1 1  -23    1   10 o  166.392   14.839   97.644   16.909   83.289   24.227  111.280   23.612  151.224   23.945  176.539   19.658 -25.31535 30.98052 
1 1 1  -23    1   11 o   85.860   25.928   27.103   16.703  -1.7274   24.331   52.803   22.972   65.697   28.597  117.916   28.471 -52.21907 40.35308 
1 1 1  -23    1   12 o  126.160   19.700   58.373   16.639   75.304   23.596   41.625   23.468  141.482   25.011  103.662   30.602 37.82043 39.52299 
1 1 1  -23    1   13 o  140.204   19.857   72.627   18.730   61.463   30.184   79.618   23.885  122.162   34.294  144.533   24.768 -22.37177 42.30296 
1 1 1  -23    1   14 o   85.368   21.926   28.183   13.022   3.5200   28.985   34.421   14.576   71.310   31.122   94.144   22.647 -22.83381 38.48989 
1 1 1  -23    1   15 o   61.443   21.149   13.574   10.889  -0.6186   15.257   28.307   15.545   51.171   22.449   83.996   24.934 -32.82573 33.55090 
1 1 1  -23    1   16 o   46.657   19.464   3.3632   10.458   0.1306   15.050   6.3815   14.543   50.764   22.283   55.595   23.052 -4.830814 32.06145 
1 1 1  -23    1   17 o   34.550   16.466 -11.7218   10.892 -16.2098   16.444  -8.2133   14.539   42.146   20.126   43.394   20.152 -1.248371 28.48074 
1 1 1  -23    1   18 f   62.227   21.867   15.693   11.670   12.499   16.561   18.843   16.448   60.930   24.860   67.397   25.582 -6.467731 35.67125 
1 1 1  -23    3    1 o  353.253   6.1743  432.129   15.096  420.280   20.952  444.919   21.768  348.261   8.6925  358.319   8.7776 -10.05841 12.35338 
1 1 1  -23    3    2 o  423.871   8.3083  622.518   24.374  593.171   33.970  653.659   34.992  413.493   11.870  434.084   11.647 -20.59131 16.62991 
1 1 1  -23    3    3 o  365.513   8.6001  462.963   21.756  461.073   30.294  464.976   31.265  364.530   12.007  366.042   12.341 -1.511963 17.21839 
1 1 1  -23    3    4 o  298.094   7.1229  307.812   14.696  290.784   20.152  327.151   21.476  289.588   10.054  307.161   10.102 -17.57254 14.25300 
1 1 1  -23    3    5 o   72.963   22.324   18.661   12.325   45.055   17.616  -6.6499   17.251  111.376   23.587   52.601   23.434 58.77512 33.24935 
1 1 1  -23    3    6 o  311.048   7.5162  335.281   16.181  347.409   23.417  324.198   22.385  316.397   10.693  305.654   10.581 10.74347 15.04368 
1 1 1  -23    3    7 o   80.037   23.834   22.826   14.187   31.338   20.594   15.138   19.572   93.930   28.876   74.876   28.018 19.05479 40.23476 
1 1 1  -23    3    8 o  385.652   11.166  516.831   29.805  485.610   41.602  549.756   42.721  372.982   16.116  396.971   15.549 -23.98886 22.39404 
1 1 1  -23    3    9 o   52.802   23.960 -10.5028   18.986   14.937   34.453 -21.5970   22.752   89.298   36.067   53.063   24.829 36.23480 43.78727 
1 1 1  -23    3   10 o  195.391   12.535  133.738   16.863  138.950   23.988  128.647   23.708  198.013   17.690  190.334   18.220 7.679428 25.39501 
1 1 1  -23    3   11 o   91.268   24.992   31.120   16.250   67.610   23.803  -0.7325   22.239  134.307   26.548   63.539   27.498 70.76724 38.22249 
1 1 1  -23    3   12 o  169.780   15.017  102.724   17.464  133.597   25.478   75.364   23.985  192.042   19.437  141.311   25.460 50.73120 32.03110 
1 1 1  -23    3   13 o  132.044   21.841   65.404   19.263   92.537   32.725   51.019   23.828  151.582   32.187  112.974   29.978 38.60758 43.98522 
1 1 1  -23    3   14 o   81.392   22.847   25.677   13.397   27.220   30.843   25.319   14.873   88.668   34.667   80.803   24.481 7.865265 42.44000 
1 1 1  -23    3   15 f  116.544   14.146   49.566   11.176   41.925   15.731   57.355   15.882  103.082   22.666  122.947   19.300 -19.86452 29.76971 
1 1 1  -23    3   16 o   56.087   21.191   10.118   11.253   14.357   14.572   3.8551   17.712   64.236   24.148   57.188   24.645 7.048130 34.50381 
1 1 1  -23    3   17 o   46.267   19.502   3.2333   10.669   11.244   15.486  -4.0048   14.720   60.354   24.249   46.415   21.075 13.93965 32.12785 
1 1 1  -23    3   18 o   61.223   22.030   14.961   11.911   3.8354   17.050   25.564   16.646   53.992   23.708   75.204   26.133 -21.21243 35.28495 
1 1 1  -23    5    1 o  815.000   7.7812  2301.08   43.891  2289.51   53.510  2324.88   76.731  812.731   9.5129  818.304   13.548 -5.573059 16.55436 
1 1 1  -23    5    2 o  487.039   8.1729  821.864   27.550  786.341   38.407  859.512   39.540  476.101   11.656  497.778   11.477 -21.67706 16.35762 
1 1 1  -23    5    3 o  271.621   10.001  255.790   18.800  243.659   25.784  269.561   27.471  264.482   14.137  278.200   14.316 -13.71829 20.11958 
1 1 1  -23    5    4 o   76.642   21.369   21.102   11.761   28.142   16.299   13.455   16.988   88.550   25.322   70.414   26.151 18.13655 36.40118 
1 1 1  -23    5    5 o  263.290   7.8773  240.222   14.354  241.573   20.113  238.820   20.493  263.855   11.014  262.330   11.287 1.525543 15.77017 
1 1 1  -23    5    6 o  239.207   8.9095  198.411   14.750  197.139   21.301  199.583   20.446  237.822   12.990  239.373   12.383 -1.551071 17.94703 
1 1 1  -23    5    7 o  378.733   10.082  497.848   26.427   0.0000   0.0000  497.848   26.427  ?   ?   378.733   10.082 0.000000 10.08169 
1 1 1  -23    5    8 o   73.412   28.366   12.834   20.464   12.834   20.464   0.0000   0.0000   73.412   28.366  ?   ?  0.000000 28.36633 
1 1 1  -23    5    9 o  261.349   11.735  237.712   21.226  192.390   37.473  259.123   25.756  231.997   23.670  272.247   13.713 -40.24983 27.35501 
1 1 1  -23    5   10 o  193.180   12.747  130.820   16.947  136.720   24.361  125.289   23.590  196.248   18.141  187.729   18.392 8.519333 25.83323 
1 1 1  -23    5   11 o  365.342   9.0342  464.708   22.844  507.317   38.095  440.784   28.545  379.922   14.488  355.113   11.614 24.80899 18.56825 
1 1 1  -23    5   12 o  116.250   21.381   50.260   16.569   49.825   24.669   50.619   22.365  112.732   30.761  114.254   28.404 -1.522507 41.86929 
1 1 1  -23    5   13 o  115.387   16.598   48.591   12.874  137.707   34.690   34.358   13.864  189.113   27.294   95.081   21.563 94.03149 34.78389 
1 1 1  -23    5   14 o   36.049   17.200 -14.4555   11.958   25.990   31.568 -21.2314   12.921   88.001   34.865   34.640   16.857 53.36164 38.72680 
1 1 1  -23    5   15 o   42.177   19.379  -7.3148   12.937 -16.5122   32.266  -5.5529   14.122   63.388   29.631   45.558   20.670 17.82988 36.12780 
1 1 1  -23    5   16 o   96.307   17.426   35.466   11.188   46.872   15.823   24.064   15.820  108.388   21.847   76.852   25.494 31.53539 33.57450 
1 1 1  -23    5   17 o   70.426   21.020   20.209   11.026   11.236   16.137   28.065   15.100   60.833   24.644   80.911   24.701 -20.07809 34.89259 
1 1 1  -23    5   18 o   56.582   22.040   11.231   12.431   28.639   18.971  -1.8685   16.456   78.133   27.836   49.239   22.329 28.89432 35.68496 
1 1 1  -23    7    1 o  266.961   8.0185  246.915   14.815  230.444   17.867  283.171   26.508  257.820   10.013  285.591   13.411 -27.77182 16.73622 
1 1 1  -23    7    2 o  310.126   9.2016  333.349   19.751  313.512   27.785  353.610   28.080  300.499   13.360  319.187   12.711 -18.68796 18.44038 
1 1 1  -23    7    3 o  398.505   7.2382  550.109   19.964  529.795   24.309  592.195   34.989  390.973   8.9834  413.085   12.238 -22.11224 15.18141 
1 1 1  -23    7    4 o  205.390   9.3779  146.247   13.331  164.818   18.975  128.149   18.732  217.514   12.659  191.515   14.234 25.99947 19.04906 
1 1 1  -23    7    5 o  206.228   9.7880  147.501   13.971  150.988   19.803  144.045   19.713  207.971   13.837  203.075   14.113 4.896088 19.76436 
1 1 1  -23    7    6 o   60.114   22.700   9.2273   12.908   13.531   18.321   4.9864   18.188   71.879   27.066   63.347   25.973 8.532139 37.51217 
1 1 1  -23    7    7 o  200.267   13.009  140.074   17.934  135.783   21.595  149.610   32.194  196.697   16.001  205.067   23.084 -8.370514 28.08779 
1 1 1  -23    7    8 f   84.749   24.154   26.000   14.856   37.225   20.609   13.858   21.435  100.873   28.344   75.446   29.065 25.42697 40.59792 
1 1 1  -23    7    9 o  207.208   13.588  150.373   19.379  121.951   37.609  160.648   22.612  181.808   31.000  213.849   15.380 -32.04050 34.60611 
1 1 1  -23    7   10 f  102.357   26.522   39.058   18.942   64.780   38.369   30.769   21.781  130.070   39.301   92.728   29.862 37.34181 49.35900 
1 1 1  -23    7   11 o  100.941   23.629   38.152   16.216   59.552   23.316   18.101   22.568  125.355   27.619   79.184   29.988 46.17099 40.76851 
1 1 1  -23    7   12 o   63.494   25.447   8.6009   17.007   27.824   28.202  -2.3851   21.320   90.915   33.708   60.431   26.524 30.48418 42.89271 
1 1 1  -23    7   13 o   69.918   22.881   17.766   12.760 -34.6439   31.721   27.883   13.937   58.215   27.842   85.289   23.058 -27.07335 36.15074 
1 1 1  -23    7   14 o   56.025   21.881   8.2482   12.277   10.220   31.778   7.9024   13.310   77.486   33.194   56.949   22.615 20.53706 40.16598 
1 1 1  -23    7   15 o   67.648   24.547   16.289   14.829   10.034   32.474   17.937   16.669   76.027   33.065   70.739   25.970 5.287979 42.04480 
1 1 1  -23    7   16 o   32.827   15.817 -14.4631   10.685 -31.0140   15.534   0.3997   14.721   35.117   17.364   50.399   22.083 -15.28204 28.09172 
1 1 1  -23    7   17 o   79.440   20.619   25.786   11.436   29.207   16.498   22.623   15.865   81.791   25.953   73.395   25.513 8.396492 36.39292 
1 1 1  -23    7   18 o   55.782   21.652   10.928   11.965 -14.5902   18.427   29.528   15.732   44.803   21.370   80.468   25.322 -35.66502 33.13409 
1 1 1  -23    9    1 o  332.231   7.2477  382.339   16.665  382.159   20.137  382.732   29.691  332.079   8.7613  332.052   12.919 0.2676392E-01 15.61003 
1 1 1  -23    9    2 o  332.524   8.9568  383.221   20.614  370.146   28.255  398.098   30.140  326.570   12.501  338.647   12.859 -12.07703 17.93428 
1 1 1  -23    9    3 o  636.595   7.1005  1403.80   31.285  1376.85   37.894  1461.46   55.439  630.301   8.6866  648.889   12.344 -18.58789 15.09446 
1 1 1  -23    9    4 o  198.640   9.8198  136.827   13.500  132.997   18.896  140.821   19.295  195.128   14.087  200.828   13.969 -5.699997 19.83834 
1 1 1  -23    9    5 o  272.313   8.0073  257.005   15.091  246.782   21.152  267.605   21.538  266.629   11.462  277.670   11.207 -11.04031 16.03083 
1 1 1  -23    9    6 o  411.075   6.6881  585.476   19.028  551.701   26.343  622.326   27.516  398.794   9.5441  423.568   9.3859 -24.77411 13.38602 
1 1 1  -23    9    7 o  326.559   10.704  370.341   24.192  370.341   24.192   0.0000   0.0000  326.559   10.704  ?   ?  0.000000 10.70378 
1 1 1  -23    9    8 o   67.002   24.237   13.307   14.441   8.3126   20.519   18.208   20.328   69.261   27.884   78.615   28.707 -9.354004 40.01960 
1 1 1  -23    9    9 o  443.751   7.2671  683.025   22.319  699.927   32.584  668.085   30.635  448.642   10.494  438.397   10.097 10.24503 14.56205 
1 1 1  -23    9   10 o  100.529   26.539   37.708   18.737   52.829   38.253   32.934   21.492  119.456   39.643   95.018   29.547 24.43846 49.44305 
1 1 1  -23    9   11 o   82.586   26.836   24.529   17.563   40.137   28.799   15.286   22.162  103.832   34.395   76.073   29.485 27.75959 45.30262 
1 1 1  -23    9   12 o  189.167   10.725  125.747   13.984  134.146   30.155  123.446   15.784  190.213   23.399  186.987   12.264 3.226349 26.41802 
1 1 1  -23    9   13 o  208.261   9.7207  152.043   14.011  214.878   33.920  139.116   15.385  241.604   20.478  198.480   11.246 43.12300 23.36277 
1 1 1  -23    9   14 o   92.224   20.355   32.603   12.645   27.649   30.898   33.600   13.858   88.536   34.675   93.069   21.883 -4.533356 41.00294 
1 1 1  -23    9   15 o   71.427   24.818   19.271   15.012   7.3415   32.812   22.429   16.883   74.599   32.820   76.064   26.325 -1.464516 42.07319 
1 1 1  -23    9   16 o   47.326   21.035  -1.6319   13.816   37.771   33.728  -9.5766   15.145   91.304   36.082   44.057   20.496 47.24673 41.49635 
1 1 1  -23    9   17 o   53.384   20.747   8.9616   10.996   16.318   15.807   2.0637   15.306   65.743   25.049   51.607   22.567 14.13622 33.71497 
1 1 1  -23    9   18 o   43.266   19.278  -0.6443   11.678   29.391   16.175 -33.3421   16.877   79.804   25.737   35.557   17.671 44.24660 31.21959 
1 1 1  -23   11    1 o  209.032   9.9797  151.493   14.438  123.244   17.387  214.244   25.913  187.916   13.457  247.815   15.182 -59.89914 20.28743 
1 1 1  -23   11    2 o  225.463   11.382  176.804   17.704  162.293   23.948  194.293   26.290  215.411   16.181  235.797   16.208 -20.38582 22.90238 
1 1 1  -23   11    3 o  391.442   6.3584  530.693   17.226  504.819   23.844  558.941   24.914  381.620   9.0278  401.561   8.9644 -19.94064 12.72247 
1 1 1  -23   11    4 o  523.628   6.2384  949.662   22.609  914.118   31.187  989.032   32.822  513.517   8.7750  534.134   8.8785 -20.61676 12.48312 
1 1 1  -23   11    5 o  440.235   6.4711  671.375   19.717  620.442   27.535  724.978   28.247  422.964   9.4059  457.258   8.9256 -34.29486 12.96676 
1 1 1  -23   11    6 o  137.822   17.701   67.368   16.495   54.848   19.550   98.293   30.727  122.908   23.842  164.605   27.972 -41.69621 36.75463 
1 1 1  -23   11    7 o  292.410   8.2697  296.539   16.736  295.724   23.391  297.393   23.956  291.701   11.586  292.496   11.834 -0.7951660 16.56135 
1 1 1  -23   11    8 o   61.889   23.936   8.9177   14.581   19.785   20.860  -1.4645   20.389   80.702   29.139   61.176   26.403 19.52629 39.32172 
1 1 1  -23   11    9 o   70.270   24.947   15.420   15.224   26.506   22.384   5.8777   20.767   88.680   30.330   67.219   27.679 21.46082 41.06132 
1 1 1  -23   11   10 o  211.168   13.587  156.703   19.752  243.073   43.384  134.120   22.184  259.235   24.470  194.528   16.637 64.70628 29.59008 
1 1 1  -23   11   11 o  122.679   20.571   55.239   16.848   30.244   28.165   69.168   21.025   94.023   33.872  136.717   23.038 -42.69409 40.96444 
1 1 1  -23   11   12 o   52.567   22.246   1.9157   13.971   49.610   29.455 -11.9299   15.870  111.394   34.582   45.567   21.124 65.82611 40.52343 
1 1 1  -23   11   13 o   68.540   22.662   17.020   12.504   69.024   30.383   6.4159   13.720  128.830   33.692   56.266   22.748 72.56374 40.65274 
1 1 1  -23   11   14 o  127.305   16.617   59.679   14.292   25.263   31.368   68.696   16.055   86.712   34.628  136.325   17.414 -49.61245 38.76041 
1 1 1  -23   11   15 o   75.125   22.914   22.287   12.998   19.161   32.714   22.873   14.164   81.094   34.165   76.003   24.040 5.091248 41.77470 
1 1 1  -23   11   16 o   72.137   24.326   20.891   14.398   30.268   33.535   18.772   15.942   85.732   35.222   69.880   25.436 15.85226 43.44680 
1 1 1  -23   11   17 o   75.738   20.809   23.616   11.243   34.283   15.920   13.001   15.881   88.702   24.908   62.073   24.686 26.62923 35.06853 
1 1 1  -23   11   18 o   53.057   22.555   6.4840   14.468  -8.2869   16.594   53.317   29.548   45.256   21.185   95.550   34.653 -50.29480 40.61528 
1 1 1  -23   13    1 o  242.957   8.8760  204.591   14.925  221.658   25.549  195.749   18.389  252.120   14.706  237.540   11.185 14.58005 18.47621 
1 1 1  -23   13    2 o  312.294   7.7451  337.915   16.741  301.512   27.509  359.325   21.097  294.625   13.491  321.937   9.4681 -27.31207 16.48158 
1 1 1  -23   13    3 o  456.054   6.1720  720.341   19.481  666.946   26.682  781.304   28.510  438.640   8.7889  474.769   8.6764 -36.12881 12.35010 
1 1 1  -23   13    4 o  727.470   6.6072  1833.26   33.266  1755.75   45.590  1921.52   48.650  711.573   9.2571  744.377   9.4431 -32.80365 13.22374 
1 1 1  -23   13    5 o  130.862   18.239   60.896   16.070   35.659   28.450   72.722   19.475  102.465   34.197  142.827   20.270 -40.36259 39.75306 
1 1 1  -23   13    6 o  384.633   8.1377  512.960   21.663  560.564   25.699  396.098   40.267  401.972   9.2374  336.400   17.354 65.57239 19.65921 
1 1 1  -23   13    7 o  453.481   6.7216  712.726   21.097  709.766   29.757  715.716   29.914  452.196   9.5079  454.086   9.5181 -1.890228 13.45347 
1 1 1  -23   13    8 o   43.070   20.049 -13.0393   14.529 -34.2532   21.174   5.8370   19.973   45.259   21.920   66.295   27.203 -21.03567 34.93568 
1 1 1  -23   13    9 o  459.508   7.0812  732.505   22.520  739.073   32.899  726.714   30.893  460.923   10.313  457.177   9.7633 3.745789 14.20126 
1 1 1  -23   13   10 o  131.978   16.327   62.222   14.596   0.0000   0.0000   62.222   14.596  ?   ?   131.978   16.327 0.000000 16.32712 
1 1 1  -23   13   11 o   91.446   25.648   31.580   16.891 -41.5658   29.947   65.707   20.455   54.726   26.395  132.999   23.057 -78.27374 35.04771 
1 1 1  -23   13   12 o  143.695   13.324   73.516   13.100   64.341   28.182   76.044   14.796  126.634   32.110  145.669   14.884 -19.03523 35.39170 
1 1 1  -23   13   13 o   51.211   21.229   3.7083   12.329 -58.2927   28.634   17.818   13.660   47.353   23.442   70.212   23.694 -22.85948 33.33133 
1 1 1  -23   13   14 o  100.206   21.090   38.753   14.164  154.634   32.338   11.246   15.756  200.176   23.808   63.152   24.754 137.0243 34.34501 
1 1 1  -23   13   15 o   30.946   15.387 -29.5793   12.859  -1.4083   32.860 -34.6731   13.973   69.738   31.596   31.375   15.670 38.36284 35.26777 
1 1 1  -23   13   16 o  194.417   12.223  136.870   16.364  117.268   33.217  143.152   18.804  162.492   30.660  197.628   13.835 -35.13692 33.63702 
1 1 1  -23   13   17 o   33.950   16.268 -12.6617   10.942 -10.7255   14.674 -15.0870   16.423   41.848   19.695   42.349   20.193 -0.5011597 28.20666 
1 1 1  -23   13   18 o   55.329   21.225   11.223   11.398   4.9514   15.916   17.826   16.330   53.017   23.102   65.286   25.308 -12.26917 34.26707 
1 1 1  -23   15    1 o  192.170   10.679  128.499   14.147  136.634   24.469  124.414   17.338  197.201   18.131  188.786   13.356 8.415558 22.51945 
1 1 1  -23   15    2 o  377.063   6.3844  492.451   16.661  449.307   22.860  541.343   24.335  359.997   9.1748  395.173   8.8975 -35.17578 12.78051 
1 1 1  -23   15    3 o  379.033   6.4729  497.648   16.980  457.727   23.606  540.456   24.444  363.318   9.3876  394.825   8.9453 -31.50726 12.96709 
1 1 1  -23   15    4 o   54.670   21.949   4.9543   12.676   2.3400   17.718   7.6956   18.143   60.322   25.264   65.804   26.315 -5.481628 36.47967 
1 1 1  -23   15    5 o  159.534   12.164   88.943   13.330   77.323   18.315  102.032   19.438  147.700   18.309  170.254   16.711 -22.55409 24.78890 
1 1 1  -23   15    6 o   88.418   24.022   28.442   15.083   40.993   18.304   1.8976   26.620  105.722   25.344   72.322   30.662 33.40051 39.78089 
1 1 1  -23   15    7 o  211.157   10.444  154.894   15.264  141.138   20.917  170.565   22.324  200.574   15.180  220.686   14.700 -20.11203 21.13104 
1 1 1  -23   15    8 o  507.141   6.8121  891.778   23.911  911.863   34.826  873.869   32.887  512.279   9.8225  501.564   9.4736 10.71481 13.64662 
1 1 1  -23   15    9 o   76.994   25.959   20.089   16.396   1.1117   27.917   30.080   20.257   72.621   31.112   91.387   28.730 -18.76620 42.34760 
1 1 1  -23   15   10 o  103.629   27.714   40.586   20.264   0.0000   0.0000   40.586   20.264  ?   ?   103.629   27.714 0.000000 27.71408 
1 1 1  -23   15   11 o  108.099   19.532   43.066   14.075   0.0000   0.0000   43.066   14.075  ?   ?   108.099   19.532 0.000000 19.53155 
1 1 1  -23   15   12 o   84.347   21.252   26.948   12.401   47.756   28.127   21.927   13.816  108.887   33.792   76.641   23.667 32.24585 41.25559 
1 1 1  -23   15   13 o   94.658   29.432   35.841   21.325   32.624   29.077   39.585   31.370   92.846   34.266   99.480   35.757 -6.633751 49.52524 
1 1 1  -23   15   14 o   91.578   22.096   32.864   13.844   80.439   31.175   21.178   15.451  136.324   33.322   74.612   25.200 61.71202 41.77814 
1 1 1  -23   15   15 o   41.692   19.280  -8.1182   13.103   47.751   32.586 -18.8944   14.311  101.118   36.433   37.931   18.283 63.18705 40.76313 
1 1 1  -23   15   16 o  106.402   20.961   45.306   14.887   2.7634   29.178   60.279   17.310   66.606   30.011  123.018   21.089 -56.41170 36.67997 
1 1 1  -23   15   17 o   64.233   26.461   13.544   18.991  -0.2488   32.083   20.984   23.562   65.093   30.125   72.598   29.640 -7.504875 42.26196 
1 1 1  -23   15   18 o   80.314   20.868   27.786   11.705   31.948   16.676   23.744   16.433   81.724   26.109   71.576   25.860 10.14758 36.74846 
1 1 1  -23   17    1 o  437.852   6.9245  664.166   20.984  656.097   35.587  668.466   25.982  434.728   11.828  439.141   8.5485 -4.412598 14.59351 
1 1 1  -23   17    2 o  356.692   6.5104  440.724   16.072  406.346   22.127  479.118   23.384  342.317   9.3395  371.728   9.0891 -29.41110 13.03221 
1 1 1  -23   17    3 o  463.023   6.2344  742.628   19.979  685.100   27.267  809.318   29.358  444.509   8.8630  483.138   8.7797 -38.62903 12.47542 
1 1 1  -23   17    4 o  171.764   13.529  103.224   15.953  131.122   28.609   90.634   19.219  192.229   21.894  160.227   17.622 32.00125 28.10470 
1 1 1  -23   17    5 o  130.655   17.433   60.628   15.371   69.301   18.081   38.024   29.190  139.484   19.242  104.938   34.621 34.54568 39.60877 
1 1 1  -23   17    6 o   96.691   20.777   34.038   13.490   38.611   19.075   29.463   19.080  102.543   26.638   90.879   27.771 11.66434 38.48067 
1 1 1  -23   17    7 o  213.044   10.409  157.713   15.348  182.876   21.389  131.003   22.037  228.689   13.574  192.854   16.674 35.83441 21.50081 
1 1 1  -23   17    8 o  186.755   12.175  122.020   15.651   98.155   22.472  144.498   21.810  165.776   19.989  202.620   15.675 -36.84352 25.40219 
1 1 1  -23   17    9 o   91.203   20.744   30.639   12.798   30.376   28.662   30.705   14.303   95.787   34.206   91.069   22.757 4.717865 41.08411 
1 1 1  -23   17   10 f   65.673   27.231   5.7389   20.295   0.0000   0.0000   5.7389   20.295  ?   ?    65.673   27.231 0.000000 27.23148 
1 1 1  -23   17   11 o   90.133   22.121   30.635   13.697   0.0000   0.0000   30.635   13.697  ?   ?    90.133   22.121 0.000000 22.12058 
1 1 1  -23   17   12 f  177.111   10.899  110.626   13.295   84.829   31.215  116.342   14.695  145.033   31.959  181.367   11.770 -36.33308 34.05702 
1 1 1  -23   17   13 f   93.684   21.160   33.700   13.396   64.585   30.915   26.560   14.864  122.649   34.804   82.614   24.345 40.03499 42.47395 
1 1 1  -23   17   14 o   61.464   22.681   12.523   12.738   43.400   30.942   6.2229   13.977   99.899   35.554   55.550   22.771 44.34877 42.22126 
1 1 1  -23   17   15 o   55.308   22.148   7.9215   12.872   46.239   30.145  -0.6227   14.235   99.636   35.132   49.039   21.595 50.59742 41.23854 
1 1 1  -23   17   16 o   55.280   22.451   8.0474   13.429   17.434   27.925   5.2232   15.317   73.905   31.373   54.699   23.229 19.20637 39.03664 
1 1 1  -23   17   17 o   40.360   19.163 -12.4939   14.480   17.063   30.040 -21.4400   16.527   71.976   31.541   39.492   19.183 32.48423 36.91610 
1 1 1  -23   17   18 o   90.651   19.590   34.576   11.932   56.209   16.492   10.813   17.285  114.146   21.668   58.321   24.716 55.82463 32.86944 
1 1 1  -23   19    1 o  139.213   14.660   68.157   13.913   42.424   23.273   82.466   17.355  107.924   30.049  152.961   16.663 -45.03626 34.35989 
1 1 1  -23   19    2 o  299.998   7.3404  311.875   15.241  265.600   21.382  359.672   21.731  276.600   11.169  321.999   9.7509 -45.39932 14.82654 
1 1 1  -23   19    3 o  342.612   6.9571  406.740   16.497  368.389   22.750  449.269   23.957  325.827   10.088  359.866   9.6188 -34.03864 13.93903 
1 1 1  -23   19    4 o  211.659   10.748  155.946   15.693  124.506   18.725  230.146   28.766  188.568   14.457  256.399   16.295 -67.83151 21.78385 
1 1 1  -23   19    5 o  231.360   10.609  185.896   16.987  178.117   20.287  204.146   31.074  225.894   13.031  240.834   18.791 -14.93951 22.86765 
1 1 1  -23   19    6 o  561.214   6.5065  1091.58   25.273  1037.70   35.116  1149.47   36.400  546.764   9.2797  575.485   9.1388 -28.72058 13.02422 
1 1 1  -23   19    7 o   64.692   24.058   11.569   14.387  -3.5478   20.388   26.563   20.305   59.616   26.058   87.697   28.872 -28.08104 38.89227 
1 1 1  -23   19    8 o  173.462   11.316  105.232   13.511  123.463   28.203   99.802   15.392  185.304   22.448  168.563   13.302 16.74052 26.09340 
1 1 1  -23   19    9 o  255.797   10.432  228.051   18.470  246.000   31.763  218.881   22.702  263.432   17.521  249.739   13.181 13.69360 21.92537 
1 1 1  -23   19   10 o  145.387   13.050   74.793   12.992   81.951   29.593   73.083   14.460  145.956   30.287  143.254   14.798 2.702332 33.70830 
1 1 1  -23   19   11 o  179.188   11.801  113.290   14.554   0.0000   0.0000  113.290   14.554  ?   ?   179.188   11.801 0.000000 11.80106 
1 1 1  -23   19   12 o   96.488   19.378   34.940   12.491   60.098   29.485   29.437   13.790  120.313   33.937   87.562   22.601 32.75112 40.77393 
1 1 1  -23   19   13 o   94.865   19.391   34.168   12.302   9.8683   31.681   38.482   13.349   77.098   33.089  100.617   19.874 -23.51801 38.59889 
1 1 1  -23   19   14 o   73.559   29.125   17.267   22.014   9.1610   29.317   27.746   33.335   73.187   31.623   87.582   35.441 -14.39541 47.49831 
1 1 1  -23   19   15 o   88.873   21.490   31.664   13.073   72.683   28.308   20.544   14.739  126.536   32.233   72.086   24.611 54.44945 40.55510 
1 1 1  -23   19   16 o   57.527   26.519  -5.7385   24.504   0.0000   0.0000  -5.7385   24.504  ?   ?    57.527   26.519 0.000000 26.51933 
1 1 1  -23   19   17 o  100.780   21.839   42.800   14.793   41.863   29.746   43.108   17.050   87.957   34.140   98.341   24.997 -10.38376 42.31339 
1 1 1  -23   21    1 o  304.149   7.1913  320.572   15.138  307.123   21.297  334.307   21.522  297.480   10.344  310.394   10.018 -12.91385 14.39992 
1 1 1  -23   21    2 o  395.092   7.5625  541.042   20.680  506.341   34.837  559.923   25.697  381.596   13.191  401.770   9.2411 -20.17389 16.10552 
1 1 1  -23   21    3 o  443.032   6.4075  680.042   19.647  590.089   26.416  791.414   29.393  412.424   9.2542  477.671   8.8907 -65.24661 12.83295 
1 1 1  -23   21    4 o  232.819   10.250  188.195   16.516  188.430   19.551  187.610   30.862  232.492   12.193  230.674   19.514 1.817734 23.01001 
1 1 1  -23   21    5 o  201.171   10.437  140.944   14.482  139.517   20.520  142.359   20.441  199.477   14.972  201.547   14.756 -2.070435 21.02180 
1 1 1  -23   21    6 o  388.857   7.0706  524.282   19.029  492.788   26.002  560.605   27.924  376.638   9.9747  401.708   10.044 -25.07043 14.15522 
1 1 1  -23   21    7 o  110.522   17.452   43.856   12.907   52.927   26.422   41.013   14.792  118.889   31.577  106.061   20.894 12.82806 37.86399 
1 1 1  -23   21    8 o  424.510   6.5325  625.133   19.193  614.634   39.301  628.421   21.994  419.265   13.544  425.467   7.4690 -6.202271 15.46670 
1 1 1  -23   21    9 o   61.785   24.851   7.2264   16.282   14.824   27.258   3.0119   20.301   80.811   32.277   63.616   26.863 17.19512 41.99340 
1 1 1  -23   21   10 o   87.548   20.601   28.635   12.274   33.932   29.608   27.535   13.488   97.480   34.770   85.608   22.477 11.87127 41.40264 
1 1 1  -23   21   11 o   94.562   21.220   33.761   13.546   0.0000   0.0000   33.761   13.546  ?   ?    94.562   21.220 0.000000 21.21959 
1 1 1  -23   21   12 o  107.669   18.779   43.236   13.485   53.805   31.775   40.915   14.893  112.851   36.039  103.617   21.473 9.233871 41.95131 
1 1 1  -23   21   13 o  143.563   12.822   73.986   12.606   85.561   30.244   71.552   13.868  142.960   31.424  140.480   14.471 2.480270 34.59553 
1 1 1  -23   21   14 o  110.324   17.303   45.782   12.778   18.683   27.670   53.127   14.405   77.879   31.995  118.561   18.131 -40.68178 36.77558 
1 1 1  -23   21   15 o   81.113   22.833   26.915   13.361   49.756   29.840   21.188   14.942  101.447   35.005   72.697   24.781 28.74995 42.88840 
1 1 1  -23   21   16 o   43.535   20.118  -6.9864   14.230   21.741   26.377 -18.7787   16.900   75.178   31.098   41.557   19.991 33.62093 36.96943 
1 1 1  -23   21   17 o   54.211   22.243   8.5288   13.352 -22.4146   29.454   16.532   14.979   53.639   25.947   64.078   24.391 -10.43881 35.61132 
1 1 1  -23   23    1 o  348.034   6.7905  419.740   16.357  391.994   22.970  448.285   23.298  336.080   9.8751  359.453   9.3648 -23.37350 13.60939 
1 1 1  -23   23    2 o  119.246   19.989   51.106   15.913   32.609   19.891   84.000   26.525   95.169   28.194  152.217   26.118 -57.04857 38.43237 
1 1 1  -23   23    3 o  677.876   7.5405  1593.06   35.378  1564.02   42.706  1656.58   63.158  671.374   9.1908  689.969   13.226 -18.59436 16.10569 
1 1 1  -23   23    4 o  237.221   10.384  195.454   17.049  188.317   20.682  210.585   30.115  232.264   12.917  244.719   17.905 -12.45486 22.07760 
1 1 1  -23   23    5 o  171.776   12.193  103.187   14.401   95.207   20.215  111.410   20.522  163.900   18.124  177.705   16.888 -13.80518 24.77290 
1 1 1  -23   23    6 f  509.092   6.2999  898.413   22.198  846.341   41.898  918.732   26.173  492.952   12.281  514.660   7.3477 -21.70828 14.31080 
1 1 1  -23   23    7 o  253.456   10.379  223.528   18.207  174.781   28.823  255.893   23.486  221.951   18.945  270.847   12.529 -48.89680 22.71261 
1 1 1  -23   23    8 o  333.713   8.7536  387.290   20.218  368.098   33.866  397.917   25.202  323.764   15.113  337.832   10.778 -14.06732 18.56312 
1 1 1  -23   23    9 o   69.054   22.493   16.771   12.336 -17.7805   26.971   25.912   13.872   60.138   27.758   83.397   23.192 -23.25867 36.17106 
1 1 1  -23   23   10 o   72.112   21.958   19.112   11.944  -4.5898   28.999   23.954   13.107   68.755   30.522   79.921   22.657 -11.16535 38.01171 
1 1 1  -23   23   11 o   56.237   22.334   7.1587   12.982   0.0000   0.0000   7.1587   12.982  ?   ?    56.237   22.334 0.000000 22.33360 
1 1 1  -23   23   12 o   63.027   21.825   13.857   11.605 -21.8488   30.948   19.699   12.519   61.332   28.781   72.291   22.562 -10.95877 36.57008 
1 1 1  -23   23   13 o   76.103   21.815   22.539   12.083  -7.3854   27.856   29.475   13.411   63.308   28.841   86.619   22.252 -23.31062 36.42703 
1 1 1  -23   23   14 o  152.327   12.852   83.961   13.423  109.854   30.058   77.511   15.002  162.867   27.655  145.096   15.163 17.77141 31.53865 
1 1 1  -23   23   15 o   59.239   26.744  -1.4982   23.302   0.0000   0.0000  -1.4982   23.302  ?   ?    59.239   26.744 0.000000 26.74391 
1 1 1  -23   23   16 o   83.169   22.654   29.288   13.394   10.629   29.359   34.192   15.052   69.014   30.670   89.094   23.910 -20.07994 38.88874 
1 1 1  -23   23   17 o   57.785   22.583   12.255   13.085   19.390   29.922   10.567   14.549   70.955   31.274   56.960   23.277 13.99521 38.98618 
1 1 1  -23   25    1 o  145.253   13.174   74.016   13.100   65.246   18.900   82.125   18.174  134.836   20.932  152.314   17.562 -17.47752 27.32307 
1 1 1  -23   25    2 o   45.515   20.257  -4.7730   12.855 -24.3269   17.779   16.645   18.607   43.485   20.810   75.359   27.473 -31.87419 34.46494 
1 1 1  -23   25    3 o  521.594   9.3666  944.364   33.813   0.0000   0.0000  944.364   33.813  ?   ?   521.594   9.3666 0.000000 9.366553 
1 1 1  -23   25    4 o  210.470   9.9385  153.863   14.477  151.705   20.573  155.980   20.377  208.085   14.373  211.072   14.028 -2.986084 20.08421 
1 1 1  -23   25    5 o  110.879   16.555   43.944   12.315   31.141   25.154   47.980   14.124   95.374   32.154  115.596   18.260 -20.22165 36.97683 
1 1 1  -23   25    6 o  247.617   8.4530  212.915   14.487  201.951   28.468  216.747   16.828  239.249   17.309  249.695   9.7377 -10.44551 19.86028 
1 1 1  -23   25    7 o  233.889   8.7006  190.152   14.084  172.976   28.356  195.777   16.228  220.552   18.754  237.171   9.8860 -16.61830 21.20000 
1 1 1  -23   25    8 o  287.977   9.5802  288.939   19.095  278.488   31.219  295.185   24.135  280.546   16.146  290.515   12.004 -9.968719 20.11934 
1 1 1  -23   25    9 o  208.484   9.2928  151.626   13.409  176.585   29.589  145.176   15.042  221.227   19.525  203.459   10.720 17.76733 22.27425 
1 1 1  -23   25   10 o   55.324   21.748   7.1710   12.193   43.654   30.218   0.0760   13.326  105.435   35.243   49.723   21.403 55.71206 41.23309 
1 1 1  -23   25   11 o  112.783   20.131   47.678   15.137   0.0000   0.0000   47.678   15.137  ?   ?   112.783   20.131 0.000000 20.13090 
1 1 1  -23   25   12 o  132.092   13.736   62.926   12.374   86.390   32.053   58.817   13.414  143.081   33.036  126.928   15.598 16.15354 36.53291 
1 1 1  -23   25   13 o  168.433   11.334  101.208   13.136   98.390   30.898  101.830   14.512  153.192   30.215  168.391   12.542 -15.19934 32.71503 
1 1 1  -23   25   14 o   76.441   22.107   23.412   12.360   79.561   29.334   11.292   13.629  133.189   32.181   59.959   23.154 73.22973 39.64531 
1 1 1  -23   25   15 o   72.570   24.998   21.584   15.215   25.624   31.411   20.346   17.392   80.723   33.708   71.571   26.484 9.151421 42.86780 
1 1 1  -23   25   16 o   40.898   19.046  -7.7516   13.131 -22.1317   28.584  -3.9049   14.784   53.817   25.915   46.046   20.990 7.770260 33.34933 
1 1 1  -23   25   17 o   93.545   23.081   39.025   14.852   43.595   28.848   37.377   17.324   85.982   33.552   88.128   26.359 -2.145393 42.66769 
1 1 1  -23   27    1 o  282.112   9.2940  276.272   18.147  220.244   31.462  304.205   22.215  250.132   18.300  295.865   10.849 -45.73274 21.27424 
1 1 1  -23   27    2 o  125.028   16.382   55.534   13.835   35.817   19.272   76.495   19.871   98.842   27.280  146.272   20.165 -47.43014 33.92318 
1 1 1  -23   27    3 o  169.979   13.685  101.352   15.963   90.298   19.959  120.976   26.593  159.464   18.423  184.202   21.249 -24.73721 28.12312 
1 1 1  -23   27    4 o  610.636   7.2140  1293.20   30.488  1232.68   51.818  1325.25   37.706  594.840   12.586  617.820   8.8180 -22.97961 15.36799 
1 1 1  -23   27    5 f  224.022   9.0257  174.347   13.994  150.293   27.707  182.584   16.214  205.613   19.712  229.128   10.225 -23.51532 22.20551 
1 1 1  -23   27    6 o  261.950   8.1440  238.340   14.765  213.854   29.413  246.590   17.072  245.928   17.393  266.300   9.2627 -20.37201 19.70525 
1 1 1  -23   27    7 o  342.887   8.4244  408.845   19.992  394.439   31.084  419.008   26.109  335.555   13.384  346.561   10.885 -11.00586 17.25197 
1 1 1  -23   27    8 o  101.579   18.143   37.718   12.287   32.995   24.183   39.361   14.266   94.885   31.522  103.104   20.711 -8.218697 37.71723 
1 1 1  -23   27    9 o   70.978   22.532   18.245   12.435  -4.6990   25.804   25.185   14.191   64.871   28.794   81.887   23.690 -17.01594 37.28708 
1 1 1  -23   27   10 o  111.417   18.513   45.844   13.775   0.0000   0.0000   45.844   13.775  ?   ?   111.417   18.513 0.000000 18.51284 
1 1 1  -23   27   11 o   65.667   22.927   15.004   12.819   0.0000   0.0000   15.004   12.819  ?   ?    65.667   22.927 0.000000 22.92728 
1 1 1  -23   27   12 o  103.434   18.943   40.467   13.061   0.0000   0.0000   40.467   13.061  ?   ?   103.434   18.943 0.000000 18.94327 
1 1 1  -23   27   13 o   84.579   20.606   28.050   11.951   66.195   29.781   20.727   13.048  120.928   34.105   72.803   23.078 48.12471 41.17991 
1 1 1  -23   27   14 o   54.544   24.090   0.3326   17.841   0.8829   30.853   0.0561   21.868   67.862   30.692   59.082   26.349 8.780075 40.45081 
1 1 1  -23   27   15 o   51.647   21.747   4.9371   13.243   1.1712   28.753   5.9510   14.919   64.597   29.379   54.636   23.048 9.960697 37.34045 
1 1 1  -23   27   16 o   45.483   20.200  -0.2084   12.718   10.873   25.940  -3.7149   14.592   65.796   29.054   45.635   20.822 20.16045 35.74452 
1 1 1  -23   29    1 o  337.140   8.7544  394.565   20.428  390.488   35.699  396.549   24.909  334.304   15.429  337.735   10.656 -3.431183 18.75109 
1 1 1  -23   29    2 o  320.848   15.553  359.854   34.538  359.854   34.538   0.0000   0.0000  320.848   15.553  ?   ?  0.000000 15.55318 
1 1 1  -23   29    3 o  221.520   9.9725  170.565   15.290   0.0000   0.0000  170.565   15.290  ?   ?   221.520   9.9725 0.000000 9.972523 
1 1 1  -23   29    4 o   54.455   21.883   5.1336   12.612 -10.0098   25.333   10.124   14.543   62.709   28.134   63.028   24.024 -0.3194885 36.99530 
1 1 1  -23   29    5 o  219.551   8.8823  167.544   13.497  104.683   26.012  190.703   15.789  170.142   22.653  234.129   9.7435 -63.98772 24.65943 
1 1 1  -23   29    6 o   49.329   20.923   0.8442   12.402  -2.8893   25.488   2.0024   14.196   66.648   29.133   53.636   22.546 13.01170 36.83851 
1 1 1  -23   29    7 o   56.217   23.603   2.6694   15.526   2.2327   24.204   2.9748   20.239   67.962   29.038   63.353   26.791 4.609173 39.50938 
1 1 1  -23   29    8 o  110.972   16.580   44.628   12.344   43.566   25.579   44.950   14.094  105.922   32.108  110.614   19.100 -4.692009 37.35949 
1 1 1  -23   29    9 o   44.381   19.675  -3.1696   12.010   2.6180   25.522  -4.8158   13.611   68.700   29.595   46.140   20.667 22.55994 36.09721 
1 1 1  -23   29   10 o  166.636   14.318   99.492   16.352   0.0000   0.0000   99.492   16.352  ?   ?   166.636   14.318 0.000000 14.31768 
1 1 1  -23   29   11 o  194.772   11.074  134.368   14.866   0.0000   0.0000  134.368   14.866  ?   ?   194.772   11.074 0.000000 11.07363 
1 1 1  -23   29   12 o   78.289   21.277   23.917   11.830   11.044   31.416   26.044   12.770   76.405   32.875   81.424   22.097 -5.019020 39.61090 
1 1 1  -23   29   13 f   97.998   18.536   36.880   12.112   69.854   29.018   29.924   13.328  124.227   33.139   86.443   22.170 37.78364 39.87093 
1 1 1  -23   29   14 o   64.335   23.522   15.318   13.654   19.932   26.863   13.711   15.854   75.845   31.380   63.891   24.890 11.95429 40.05222 
1 1 1  -23   29   15 o   40.054   18.681  -8.2395   12.709   9.4780   26.582 -13.4899   14.471   66.865   29.474   40.082   19.068 26.78332 35.10426 
1 1 1  -23   29   16 o   62.776   23.688   15.859   14.050   21.541   25.184   13.290   16.930   71.499   30.041   61.454   25.111 10.04465 39.15403 
1 1 1  -23   31    1 o  131.885   15.715   61.720   14.062   46.526   19.636   77.713   20.146  112.071   25.843  147.128   20.327 -35.05708 32.87988 
1 1 1  -23   31    2 o  122.141   15.876   53.103   13.104   5.1707   26.717   68.285   15.036   74.060   31.021  138.735   15.950 -64.67542 34.88079 
1 1 1  -23   31    3 o  338.607   7.7871  398.027   18.250   0.0000   0.0000  398.027   18.250  ?   ?   338.607   7.7871 0.000000 7.787150 
1 1 1  -23   31    4 o   63.884   23.902   11.300   14.243   0.0000   0.0000   11.300   14.243  ?   ?    63.884   23.902 0.000000 23.90161 
1 1 1  -23   31    5 f  188.658   11.916  124.814   15.479   0.0000   0.0000  124.814   15.479  ?   ?   188.658   11.916 0.000000 11.91596 
1 1 1  -23   31    6 o  263.374   10.054  241.949   18.326  282.927   32.476  222.804   22.199  282.401   16.690  251.819   12.779 30.58212 21.02020 
1 1 1  -23   31    7 o   45.747   20.076  -2.3007   12.211 -16.3805   25.703   1.8029   13.876   58.838   27.137   52.548   22.201 6.289406 35.06085 
1 1 1  -23   31    8 o   38.118   17.885 -11.5193   11.944 -36.0634   26.683  -5.3695   13.356   51.841   24.982   45.294   20.366 6.546963 32.23186 
1 1 1  -23   31    9 o   69.064   25.035   15.712   15.420   0.0000   0.0000   15.712   15.420  ?   ?    69.064   25.035 0.000000 25.03543 
1 1 1  -23   31   10 o  110.820   18.036   45.581   13.358   0.0000   0.0000   45.581   13.358  ?   ?   110.820   18.036 0.000000 18.03635 
1 1 1  -23   31   11 o   70.019   23.426   18.240   13.351   0.0000   0.0000   18.240   13.351  ?   ?    70.019   23.426 0.000000 23.42638 
1 1 1  -23   31   12 o   40.488   18.628  -7.0925   12.010 -23.7512   30.500  -4.0351   13.066   58.624   27.828   44.744   20.129 13.88030 34.34515 
1 1 1  -23   31   13 o  138.796   19.153   73.929   17.908   96.293   29.423   60.769   22.571  149.533   29.477  119.294   27.844 30.23882 40.54883 
1 1 1  -23   31   14 o   79.847   21.976   26.248   12.528   28.820   26.166   25.484   14.270   81.675   31.931   77.934   24.050 3.740250 39.97515 
1 1 1  -23   31   15 o   47.036   20.606   1.1497   12.813   11.390   27.630  -1.6558   14.462   67.851   29.972   47.178   21.205 20.67263 36.71438 
1 1 1  -23   31   16 o   33.826   16.458 -16.9770   12.297 -52.8781   25.346  -5.9242   14.063   41.030   20.580   42.775   19.849 -1.744274 28.59233 
1 1 1  -23   33    1 o   60.778   21.879   11.192   11.749 -27.9805   24.135   23.357   13.450   52.139   24.751   80.009   23.040 -27.87035 33.81485 
1 1 1  -23   33    2 o   97.183   18.537   34.393   12.013   68.683   24.614   23.671   13.764  135.813   27.135   80.516   23.341 55.29723 35.79251 
1 1 1  -23   33    3 o  310.731   6.9960  335.165   15.046  235.073   29.060  371.820   17.586  257.962   16.361  327.164   7.7665 -69.20187 18.11123 
1 1 1  -23   33    4 o  114.166   18.636   47.305   14.218   0.0000   0.0000   47.305   14.218  ?   ?   114.166   18.636 0.000000 18.63629 
1 1 1  -23   33    5 o  149.018   16.257   79.330   16.495   0.0000   0.0000   79.330   16.495  ?   ?   149.018   16.257 0.000000 16.25696 
1 1 1  -23   33    6 o  375.422   10.052  492.271   26.118   0.0000   0.0000  492.271   26.118  ?   ?   375.422   10.052 0.000000 10.05163 
1 1 1  -23   33    7 o  160.376   13.672   91.394   15.030   0.0000   0.0000   91.394   15.030  ?   ?   160.376   13.672 0.000000 13.67171 
1 1 1  -23   33    8 o  107.464   19.405   42.926   13.902   0.0000   0.0000   42.926   13.902  ?   ?   107.464   19.405 0.000000 19.40535 
1 1 1  -23   33    9 o   62.797   24.507   10.556   15.391   0.0000   0.0000   10.556   15.391  ?   ?    62.797   24.507 0.000000 24.50681 
1 1 1  -23   33   10 o  125.552   16.726   57.974   14.173   0.0000   0.0000   57.974   14.173  ?   ?   125.552   16.726 0.000000 16.72595 
1 1 1  -23   33   11 o  108.479   18.878   44.596   13.659   0.0000   0.0000   44.596   13.659  ?   ?   108.479   18.878 0.000000 18.87763 
1 1 1  -23   33   12 o   38.076   18.109 -13.9249   13.035   0.0000   0.0000 -13.9249   13.035  ?   ?    38.076   18.109 0.000000 18.10894 
1 1 1  -23   33   13 o   69.131   22.449   18.996   12.291   1.7507   26.585   23.684   13.861   64.424   28.868   76.034   23.743 -11.60993 37.37745 
1 1 1  -23   33   14 f   77.625   22.694   25.247   12.962   40.346   26.795   20.634   14.810   90.709   32.984   70.739   24.646 19.96969 41.17488 
1 1 1  -23   33   15 o   72.184   23.727   22.665   13.715   48.541   27.506   14.103   15.822   94.518   33.534   62.097   24.658 32.42090 41.62404 
1 1 1  -23   35    1 o  376.470   7.2807  492.254   18.971  450.634   33.271  512.303   23.092  358.649   13.403  383.763   8.6941 -25.11401 15.97625 
1 1 1  -23   35    2 o   53.068   21.085   5.6429   11.576   0.0725   25.588   7.0764   12.981   68.491   29.569   56.948   22.422 11.54354 37.10892 
1 1 1  -23   35    3 o  102.568   17.262   38.183   11.819   25.663   23.970   42.205   13.585   87.595   31.280  107.498   18.952 -19.90308 36.57361 
1 1 1  -23   35    4 o  270.526   7.8059  254.558   14.615  251.805   30.100  255.408   16.718  266.273   16.413  270.765   8.9212 -4.492096 18.68082 
1 1 1  -23   35    5 o  298.881   9.2224  311.610   19.077  228.829   30.707  363.645   24.346  252.897   17.654  322.361   10.912 -69.46306 20.75445 
1 1 1  -23   35    6 f   84.647   23.009   27.069   13.833   0.0000   0.0000   27.069   13.833  ?   ?    84.647   23.009 0.000000 23.00891 
1 1 1  -23   35    7 o  139.682   15.266   70.169   14.518   0.0000   0.0000   70.169   14.518  ?   ?   139.682   15.266 0.000000 15.26609 
1 1 1  -23   35    8 o  170.114   14.752  103.870   17.196   0.0000   0.0000  103.870   17.196  ?   ?   170.114   14.752 0.000000 14.75169 
1 1 1  -23   35    9 o  134.234   15.779   65.619   14.380   0.0000   0.0000   65.619   14.380  ?   ?   134.234   15.779 0.000000 15.77890 
1 1 1  -23   35   10 o   39.694   18.684 -12.3101   13.216   0.0000   0.0000 -12.3101   13.216  ?   ?    39.694   18.684 0.000000 18.68375 
1 1 1  -23   35   11 o   78.477   23.030   24.454   13.326   0.0000   0.0000   24.454   13.326  ?   ?    78.477   23.030 0.000000 23.03017 
1 1 1  -23   35   12 o   72.731   26.663   20.233   17.560   17.298   27.996   22.138   22.548   75.777   31.748   76.771   29.744 -0.9943466 43.50448 
1 1 1  -23   35   13 o   81.639   21.730   27.295   12.495  -6.9512   27.157   36.491   14.073   59.959   27.738   94.494   21.939 -34.53514 35.36524 
1 1 1  -23   35   14 f   47.688   20.629   2.2370   12.504   36.146   25.778  -8.1967   14.299   85.906   32.153   42.676   19.874 43.23026 37.79880 
1 1 1  -23   35   15 o   64.198   22.490   17.381   12.341   2.0585   24.145   22.798   14.357   58.590   26.753   71.451   24.291 -12.86035 36.13585 
1 1 1  -23   37    1 o  243.963   8.0096  207.070   13.524  223.756   27.903  201.947   15.462  251.076   16.143  240.706   9.2810 10.37021 18.62064 
1 1 1  -23   37    2 o  144.147   12.382   73.375   12.233   79.463   25.665   71.585   13.915  145.276   26.501  141.874   14.370 3.402344 30.14650 
1 1 1  -23   37    3 o  207.753   9.1500  150.514   13.157  150.927   28.032  150.397   14.900  204.203   20.094  207.183   10.424 -2.980530 22.63726 
1 1 1  -23   37    4 o   52.359   21.096   5.0711   11.756   5.9512   25.255   4.8276   13.283   71.196   30.008   54.524   22.257 16.67193 37.36104 
1 1 1  -23   37    5 o  101.516   21.915   38.812   14.946   74.878   24.477   17.370   18.873  140.103   26.206   74.295   27.570 65.80805 38.03756 
1 1 1  -23   37    6 o  106.308   24.216   43.348   17.419   45.673   24.534   40.985   24.736  107.071   31.199  101.876   31.702 5.194893 44.47914 
1 1 1  -23   37    7 o  135.281   13.646   65.551   12.603   48.356   25.222   71.272   14.549  109.155   31.584  140.563   15.197 -31.40750 35.04974 
1 1 1  -23   37    8 o  165.146   11.933   96.944   13.548  104.146   28.163   94.776   15.453  163.891   25.671  162.530   13.870 1.360840 29.17880 
1 1 1  -23   37    9 o   86.114   21.532   28.791   12.799   30.327   28.962   28.418   14.268   89.618   33.963   85.052   23.471 4.565414 41.28422 
1 1 1  -23   37   10 o   53.681   21.568   6.6933   12.250 -26.6780   27.086   15.275   13.735   53.887   25.760   65.756   23.658 -11.86871 34.97526 
1 1 1  -23   37   11 o   67.907   27.701   12.935   20.557   0.0000   0.0000   12.935   20.557  ?   ?    67.907   27.701 0.000000 27.70084 
1 1 1  -23   37   12 o   83.260   20.970   27.889   12.078   55.122   27.571   21.422   13.435  107.561   33.469   72.765   23.455 34.79639 40.86956 
1 1 1  -23   37   13 o   42.324   19.132  -3.3696   11.970   40.541   25.256 -16.0914   13.594   91.544   32.169   37.367   17.964 54.17768 36.84474 
1 1 1  -23   37   14 o   64.276   23.260   16.758   13.302   61.366   26.761   2.1193   15.330  108.611   32.823   50.934   22.421 57.67719 39.74930 
1 1 1  -23   37   15 o   47.527   20.460   3.9320   12.180   5.3659   22.644   3.3482   14.448   58.301   26.338   49.689   21.822 8.611568 34.20322 
1 1 1  -23   39    1 o  230.063   8.2393  184.408   13.119  191.756   27.850  182.312   14.873  231.266   17.530  228.519   9.4037 2.747009 19.89288 
1 1 1  -23   39    2 o  156.103   11.133   85.819   11.949   68.878   24.493   91.111   13.689  133.995   27.337  160.533   12.417 -26.53801 30.02434 
1 1 1  -23   39    3 o   82.919   20.475   25.807   11.681   27.888   24.163   25.173   13.343   88.618   31.432   81.739   22.751 6.878609 38.80154 
1 1 1  -23   39    4 o  110.553   20.687   45.620   15.247   44.288   25.538   46.357   19.006  105.755   32.087  109.715   25.512 -3.960487 40.99340 
1 1 1  -23   39    5 o  124.912   14.292   56.041   12.134   32.395   24.625   63.623   13.944   92.579   31.807  132.796   15.461 -40.21719 35.36594 
1 1 1  -23   39    6 o  104.321   16.936   40.032   11.809   43.102   23.885   39.039   13.585  103.456   30.952  101.898   19.977 1.557907 36.83868 
1 1 1  -23   39    7 o   99.783   20.228   37.752   13.491   17.922   24.762   46.124   16.089   77.998   30.887  109.811   21.937 -31.81281 37.88397 
1 1 1  -23   39    8 o  184.586   10.377  120.485   13.203  134.439   26.637  115.940   15.201  189.288   20.668  180.302   12.254 8.986023 24.02794 
1 1 1  -23   39    9 o   61.222   22.128   12.763   12.034   12.459   25.302   12.852   13.680   72.609   30.281   62.764   23.436 9.845043 38.29123 
1 1 1  -23   39   10 o   50.569   20.946   4.4655   11.989   21.659   25.610  -0.3599   13.567   78.827   31.349   48.448   21.214 30.37922 37.85215 
1 1 1  -23   39   11 o   74.487   23.878   22.396   13.939 -16.3366   25.986   38.042   16.516   55.494   26.145   95.624   24.760 -40.12944 36.00811 
1 1 1  -23   39   12 f  103.562   17.605   41.441   12.167   33.878   26.741   43.415   13.663   86.119   32.635  104.836   19.549 -18.71706 38.04268 
1 1 1  -23   39   13 o   55.032   22.042   9.0943   12.752   24.956   26.363   4.2500   14.569   76.695   31.337   52.223   22.427 24.47195 38.53528 
1 1 1  -23   39   14 o   57.559   21.599   12.639   11.648   19.439   23.662   10.465   13.381   69.358   29.129   56.090   22.540 13.26768 36.83144 
1 1 1  -23   41    1 o  142.164   12.095   71.622   11.787   83.659   24.767   68.098   13.403  148.560   24.973  137.971   14.240 10.58881 28.74805 
1 1 1  -23   41    2 o  143.242   12.378   72.815   12.151   48.541   25.307   80.087   13.852  110.221   31.563  149.932   13.493 -39.71106 34.32658 
1 1 1  -23   41    3 o  122.235   14.377   53.710   11.931   65.366   23.927   49.853   13.764  129.414   27.558  116.637   17.597 12.77743 32.69697 
1 1 1  -23   41    4 o   73.890   21.845   20.525   11.951   12.668   23.837   23.163   13.813   73.677   29.915   78.244   23.567 -4.567001 38.08302 
1 1 1  -23   41    5 o   81.183   20.850   25.119   11.776   23.678   24.195   25.567   13.481   83.108   31.141   81.621   22.920 1.487122 38.66657 
1 1 1  -23   41    6 o   58.043   21.831   10.071   11.912   5.0732   24.325   11.648   13.663   67.776   29.038   61.944   23.363 5.831421 37.26995 
1 1 1  -23   41    7 o   57.342   21.884   9.5568   12.077   12.054   24.075   8.7172   13.961   72.060   29.751   58.595   23.195 13.46490 37.72495 
1 1 1  -23   41    8 o  129.755   14.229   61.202   12.569   76.390   25.027   56.079   14.534  137.264   27.305  122.601   17.636 14.66280 32.50538 
1 1 1  -23   41    9 o   91.141   20.120   32.327   12.352   48.878   26.166   27.581   14.012  105.030   32.592   82.955   23.393 22.07533 40.11839 
1 1 1  -23   41   10 o   47.034   21.570  -7.1029   15.926 -50.1951   25.704   19.750   20.291   44.332   21.993   73.588   28.298 -29.25591 35.83955 
1 1 1  -23   41   11 o  141.145   12.496   72.553   12.081   60.634   25.439   76.023   13.727  114.728   31.209  143.620   13.988 -28.89247 34.20028 
1 1 1  -23   41   12 o   66.112   21.802   17.635   11.576   55.171   25.656   8.0389   12.972  106.160   32.151   54.389   22.074 51.77074 38.99894 
1 1 1  -23   41   13 o   43.285   19.291  -0.9478   11.701  -6.5561   26.189   0.4510   13.079   57.096   26.692   46.576   20.595 10.52088 33.71346 
1 1 1  -23   41   14 o   46.144   19.929   3.1961   11.632   17.737   23.521  -1.5114   13.383   66.624   28.550   44.597   20.188 22.02684 34.96686 
1 1 1  -23   43    1 o   67.512   22.732   16.220   12.572  -9.9366   22.666   27.844   15.110   57.045   25.998   85.073   24.397 -28.02821 35.65274 
1 1 1  -23   43    2 o  201.508   9.3102  142.211   12.985  134.293   25.397  145.013   15.108  191.196   19.464  202.794   10.803 -11.59830 22.26110 
1 1 1  -23   43    3 o  107.988   20.999   44.142   15.130   60.390   24.541   34.179   19.216  122.575   29.321   93.107   27.741 29.46803 40.36458 
1 1 1  -23   43    4 o  154.947   11.406   85.166   12.146   84.585   24.720   85.351   13.945  147.925   25.038  154.495   13.167 -6.569214 28.28914 
1 1 1  -23   43    5 o  171.321   10.779  103.894   12.716  119.415   26.104   99.065   14.561  178.048   21.628  166.544   12.728 11.50357 25.09517 
1 1 1  -23   43    6 o   44.546   19.887  -3.4097   12.494   34.156   24.401 -16.7566   14.545   91.980   31.659   39.853   19.002 52.12729 36.92412 
1 1 1  -23   43    7 o   92.882   19.475   33.075   12.119   34.054   23.683   32.727   14.106   91.009   31.197   91.144   22.498 -0.1350784 38.46304 
1 1 1  -23   43    8 o   66.914   23.607   16.386   13.612   24.673   24.834   12.827   16.275   81.354   31.301   64.653   25.209 16.70118 40.18991 
1 1 1  -23   43    9 o   46.651   20.303   0.2820   12.259 -12.4195   25.378   4.1481   14.001   56.879   26.484   52.907   22.324 3.971493 34.63725 
1 1 1  -23   43   10 o   74.244   22.590   22.364   12.645   15.024   24.733   24.961   14.713   71.375   29.867   77.710   24.493 -6.335686 38.62565 
1 1 1  -23   43   11 o   43.093   19.064  -0.9528   11.219   14.424   23.606  -5.4399   12.752   69.007   29.044   42.224   19.341 26.78299 34.89487 
1 1 1  -23   43   12 o   55.741   21.702   10.369   12.048   19.502   22.942   6.8906   14.157   71.045   29.154   54.017   22.600 17.02876 36.88777 
1 1 1  -23   43   13 o   83.501   21.043   29.809   12.156   18.922   25.758   32.929   13.789   69.361   29.804   86.503   22.733 -17.14248 37.48438 
1 1 1  -23   45    1 o   99.474   17.476   36.778   11.593   35.824   24.227   37.062   13.202   94.669   31.556   98.916   19.972 -4.246925 37.34510 
1 1 1  -23   45    2 o   68.917   22.653   17.477   12.501   14.073   22.664   18.965   14.987   72.930   29.324   72.233   24.814 0.6967621 38.41404 
1 1 1  -23   45    3 o  139.459   12.431   69.528   11.873   21.732   23.002   86.888   13.862   79.786   30.260  155.801   12.973 -76.01507 32.92373 
1 1 1  -23   45    4 o  127.391   13.711   58.598   11.898   59.317   23.896   58.361   13.720  120.311   29.031  126.173   16.077 -5.862549 33.18528 
1 1 1  -23   45    5 o   49.795   20.537   4.0978   11.456   37.888   23.361  -6.6021   13.146   95.562   30.942   43.266   19.750 52.29549 36.70778 
1 1 1  -23   45    6 o  145.252   12.774   75.939   12.711   91.317   25.734   70.976   14.619  151.531   25.439  139.170   15.438 12.36102 29.75694 
1 1 1  -23   45    7 o   85.484   20.510   28.611   11.980   20.483   22.993   31.640   14.035   76.687   29.946   89.023   22.707 -12.33566 37.58157 
1 1 1  -23   45    8 o   67.700   22.028   17.750   11.832   13.995   23.867   18.974   13.625   71.124   29.515   69.968   23.664 1.156242 37.82977 
1 1 1  -23   45    9 o   64.862   25.134   14.212   16.102   14.059   24.788   14.324   21.178   70.880   29.794   68.611   28.067 2.268837 40.93165 
1 1 1  -23   45   10 o   37.998   17.841  -9.5597   11.920 -36.3171   24.745  -1.4743   13.602   46.215   22.667   46.694   20.806 -0.4792023 30.76815 
1 1 1  -23   45   11 o   60.605   21.761   14.088   11.616   19.976   23.358   12.153   13.389   72.095   29.482   59.189   22.924 12.90582 37.34536 
1 1 1  -23   45   12 o   50.257   20.515   6.8478   11.284   43.605   23.181  -4.5670   12.918   92.126   30.868   42.325   19.417 49.80080 36.46717 
1 1 1  -23   47    1 o   37.844   17.571  -8.3620   11.044 -29.0000   22.448  -1.7723   12.685   47.378   22.852   46.251   20.375 1.126575 30.61615 
1 1 1  -23   47    2 o   34.869   17.131 -27.0189   14.321 -31.9951   23.286 -23.9919   18.161   47.433   22.976   42.781   20.615 4.651348 30.86870 
1 1 1  -23   47    3 o   40.825   18.952  -9.2782   12.840   4.6756   22.724 -15.8228   15.562   64.924   27.947   42.088   19.949 22.83575 34.33685 
1 1 1  -23   47    4 o  126.373   13.845   57.969   11.911   31.834   23.429   67.078   13.832   88.609   30.992  135.511   15.000 -46.90137 34.43110 
1 1 1  -23   47    5 o   70.077   22.796   18.813   12.672 -13.0829   23.745   31.514   14.984   55.335   25.716   88.602   23.890 -33.26629 35.10020 
1 1 1  -23   47    6 o   62.438   21.960   14.067   11.770 -23.1854   23.348   26.760   13.629   50.128   23.950   81.699   23.083 -31.57075 33.26296 
1 1 1  -23   47    7 o  134.382   13.660   65.973   12.528   77.415   24.488   61.917   14.581  136.337   26.906  128.455   16.804 7.882584 31.72257 
1 1 1  -23   47    8 o   45.036   20.353  -3.9776   13.535   0.0000   0.0000  -3.9776   13.535  ?   ?    45.036   20.353 0.000000 20.35254 
1 1 1  -23   47    9 o   63.362   24.748   13.654   15.706  -4.1020   23.866   27.219   20.860   58.019   26.533   79.622   29.079 -21.60296 39.36529 
1 1 1  -23   47   10 o   61.242   22.040   14.346   11.922   32.800   24.186   8.4237   13.702   83.681   31.179   55.448   22.616 28.23293 38.51759 
1 1 1  -23   47   11 o   54.144   21.910   8.7588   12.740   39.024   23.477  -3.8736   15.167   87.875   31.002   46.355   21.181 41.51995 37.54665 
1 1 1  -23   47   12 o   52.137   20.926   8.7805   11.518  -2.7888   22.522   12.878   13.404   54.148   25.123   58.266   22.834 -4.118496 33.94931 
1 1 1  -23   49    1 o  199.630   9.2338  140.329   12.758  147.805   25.519  137.839   14.731  198.904   18.759  196.930   10.850 1.973953 21.67056 
1 1 1  -23   49    2 o  100.969   16.791   38.166   11.322   7.9707   22.414   48.510   13.119   66.449   28.152  113.906   17.174 -47.45647 32.97717 
1 1 1  -23   49    3 o   79.899   20.484   24.956   11.381   34.015   23.692   22.239   12.976   90.178   31.186   75.194   22.885 14.98363 38.68226 
1 1 1  -23   49    4 o  107.941   18.547   44.385   13.356   53.463   23.885   40.255   16.111  111.153   30.243  100.005   23.648 11.14812 38.39094 
1 1 1  -23   49    5 o   69.077   23.284   18.357   13.190   54.439   23.871   2.4985   15.826  111.623   30.177   54.030   23.290 57.59303 38.11885 
1 1 1  -23   49    6 o  102.203   17.738   39.925   12.092   49.561   22.796   36.152   14.265  105.937   29.826   94.792   22.143 11.14472 37.14690 
1 1 1  -23   49    7 o   94.426   18.812   34.809   11.862   49.317   22.536   29.249   13.952  104.869   29.701   84.231   23.195 20.63840 37.68480 
1 1 1  -23   49    8 o   39.537   19.503 -34.2345   19.196 -11.9366   24.340 -70.9268   31.223   54.700   25.622   45.357   22.763 9.343342 34.27325 
1 1 1  -23   49    9 o   62.487   21.920   15.249   11.725 -11.4976   23.590   24.023   13.511   53.443   25.094   75.378   23.426 -21.93566 34.32897 
1 1 1  -23   49   10 o  116.294   15.109   51.548   11.874   39.473   23.488   55.693   13.762   88.709   31.031  119.437   17.140 -30.72809 35.44946 
1 1 1  -23   49   11 o   56.378   21.452   11.956   11.583   21.507   22.802   8.6341   13.447   70.145   28.957   53.935   22.248 16.21037 36.51707 
1 1 1  -23   51    1 o   55.983   23.005   6.7082   14.309 -18.0829   23.189   21.954   18.185   51.936   24.538   75.487   27.214 -23.55077 36.64316 
1 1 1  -23   51    2 o   58.720   21.287   11.890   11.149 -30.1024   22.288   25.905   12.876   45.989   22.325   80.446   22.334 -34.45647 31.57817 
1 1 1  -23   51    3 o  105.786   15.960   41.876   11.322   25.580   22.780   47.221   13.047   80.454   30.203  111.675   17.451 -31.22025 34.88229 
1 1 1  -23   51    4 o  102.063   18.136   39.962   12.342   69.610   23.975   29.273   14.396  128.022   27.850   84.558   23.665 43.46455 36.54671 
1 1 1  -23   51    5 o   61.991   23.049   13.491   13.204   13.459   22.880   13.507   16.167   69.231   28.827   64.231   25.103 4.999428 38.22533 
1 1 1  -23   51    6 o   57.228   22.529   9.8845   13.102 -12.8049   22.246   21.936   16.213   52.183   24.460   73.510   25.777 -21.32697 35.53532 
1 1 1  -23   51    7 o   57.030   23.589   8.0346   15.175   13.678   23.788   4.1622   19.705   68.740   29.056   58.569   25.608 10.17115 38.73033 
1 1 1  -23   51    8 o   35.656   16.949 -11.3568   11.391  -9.8683   21.901 -11.9088   13.337   52.252   24.421   38.991   18.477 13.26078 30.62339 
1 1 1  -23   51    9 o   50.576   20.645   6.7137   11.429   12.224   22.634   4.8280   13.241   64.996   27.934   50.788   21.583 14.20728 35.30039 
1 1 1  -23   51   10 o   84.210   21.730   30.682   12.750   63.756   22.811   15.653   15.376  114.401   28.822   62.756   24.494 51.64492 37.82429 
1 1 1  -23   53    1 o  123.736   15.506   57.077   12.988   0.0000   0.0000   57.077   12.988  ?   ?   123.736   15.506 0.000000 15.50613 
1 1 1  -23   53    2 o  125.120   13.731   57.512   11.695   31.678   23.230   66.283   13.536   85.536   30.767  133.766   14.872 -48.23070 34.17325 
1 1 1  -23   53    3 o   39.903   18.384  -6.5634   11.752   4.8024   21.427 -11.4531   14.054   61.497   26.801   41.024   19.297 20.47378 33.02545 
1 1 1  -23   53    4 o   37.853   17.580  -7.4384   11.068 -22.7561   20.933  -1.4949   13.039   46.207   22.233   45.983   20.437 0.2237473 30.19905 
1 1 1  -23   53    5 o   32.293   15.738 -18.0534   11.379 -48.9756   21.867  -6.5709   13.325   39.196   19.580   42.553   19.595 -3.357231 27.70026 
1 1 1  -23   53    6 o   58.897   22.890   11.561   13.385 -10.0293   23.570   21.838   16.262   54.358   25.381   72.544   25.779 -18.18602 36.17723 
1 1 1  -23   53    7 o   48.511   20.955   2.5199   12.866   3.9434   22.444   1.8232   15.702   60.163   26.772   51.671   22.719 8.492027 35.11262 
1 1 1  -23   53    8 f   36.567   17.216  -8.9230   11.231 -34.5366   22.677  -0.5972   12.929   43.262   21.314   45.529   20.285 -2.266899 29.42391 
1 1 1  -23   53    9 o   85.021   22.262   31.578   13.254   44.434   23.682   25.714   15.994   91.365   31.197   74.648   25.635 16.71709 40.37828 
1 1 1  -23   55    1 o   61.576   21.443   14.406   11.209   15.805   23.251   13.982   12.794   70.331   29.154   61.844   22.745 8.487106 36.97703 
1 1 1  -23   55    2 o   48.736   20.904   2.5742   12.630   0.0000   0.0000   2.5742   12.630  ?   ?    48.736   20.904 0.000000 20.90389 
1 1 1  -23   55    3 o   62.603   21.258   15.249   10.996   26.054   21.945   11.626   12.706   78.272   29.588   58.591   22.426 19.68105 37.12602 
1 1 1  -23   55    4 o   42.188   18.824  -1.8134   11.175 -26.8488   21.407   7.5649   13.102   44.853   21.798   54.120   22.100 -9.266350 31.04085 
1 1 1  -23   55    5 o   89.519   19.319   32.197   11.618   14.624   22.335   38.715   13.603   67.627   28.346   97.368   20.817 -29.74033 35.16906 
1 1 1  -23   55    6 o   48.821   21.687   0.1622   14.665  -1.4263   24.109   1.0952   18.477   58.224   26.642   54.121   24.172 4.102753 35.97332 
1 1 1  -23   55    7 f   56.068   21.028   11.563   11.037   31.990   22.630   5.1878   12.643   80.817   30.150   50.171   21.193 30.64582 36.85339 
1 1 1  -23   55    8 o   50.773   21.323   6.3029   12.679   6.3854   21.716   6.2602   15.617   58.912   26.266   53.722   23.147 5.190369 35.00967 
1 1 1  -23   57    1 o   78.728   20.436   25.396   11.233   26.756   22.860   24.964   12.897   78.072   30.033   76.992   22.674 1.080254 37.63104 
1 1 1  -23   57    2 o   83.991   20.537   28.938   11.839   21.205   22.109   32.047   14.017   72.795   29.071   86.911   22.960 -14.11580 37.04472 
1 1 1  -23   57    3 o   47.647   20.564   2.4100   12.369   0.0000   0.0000   2.4100   12.369  ?   ?    47.647   20.564 0.000000 20.56392 
1 1 1  -23   57    4 o   52.676   20.831   8.5460   11.250 -10.3805   22.547   14.819   12.981   52.218   24.524   61.899   22.885 -9.680748 33.54313 
1 1 1  -23   57    5 o   45.721   20.268   0.0489   12.745   0.0000   0.0000   0.0489   12.745  ?   ?    45.721   20.268 0.000000 20.26788 
1 1 1  -23   57    6 o   38.973   17.803  -3.7860   10.707   5.4537   21.423  -6.8620   12.361   58.591   26.108   39.709   18.487 18.88230 31.99095 
1 1 1  -23   59    1 o   57.071   21.224   12.137   11.197 -14.6878   22.300   21.180   12.948   49.700   23.651   70.310   23.051 -20.60958 33.02640 
1 1 1  -23   59    2 o   43.049   18.969   0.1707   11.001   18.215   23.023  -5.1680   12.523   69.054   28.849   41.334   19.019 27.71979 34.55455 
1 1 1  -23   59    3 o   86.304   19.664   30.801   11.484   54.878   23.411   23.173   13.178  104.319   30.500   72.801   23.205 31.51718 38.32366 
1 1 1  -23   59    4 o   41.521   19.089  -4.6494   12.580   0.0000   0.0000  -4.6494   12.580  ?   ?    41.521   19.089 0.000000 19.08915 
1 1 1  -22    0    1 o  369.344   8.1503  472.849   20.811  472.849   20.811  472.849   20.811  369.344   8.1503  369.344   8.1503 0.000000 0.000000 
1 1 1  -22    0    2 o  840.537   9.6580  2446.51   56.168  2446.51   56.168  2446.51   56.168  840.537   9.6580  840.537   9.6580 0.000000 0.000000 
1 1 1  -22    0    3 o  642.265   8.5964  1428.56   38.197  1428.56   38.197  1428.56   38.197  642.265   8.5964  642.265   8.5964 0.000000 0.000000 
1 1 1  -22    0    4 o  930.435   14.634  3000.00   94.188  3000.00   94.188  3000.00   94.188  930.435   14.634  930.435   14.634 0.000000 0.000000 
1 1 1  -22    0    5 o  111.494   32.359   52.683   21.672   52.683   21.672   52.683   21.672  111.494   32.359  111.494   32.359 0.000000 0.000000 
1 1 1  -22    0    6 o  523.975   8.7687  951.184   31.780  951.184   31.780  951.184   31.780  523.975   8.7687  523.975   8.7687 0.000000 0.000000 
1 1 1  -22    0    7 o   46.384   28.849   4.7643   18.674   4.7643   18.674   4.7643   18.674   46.384   28.849   46.384   28.849 0.000000 0.000000 
1 1 1  -22    0    8 o   37.245   25.339 -11.3043   19.923 -11.3043   19.923 -11.3043   19.923   37.245   25.339   37.245   25.339 0.000000 0.000000 
1 1 1  -22    0    9 o  172.072   20.241  106.953   23.232  106.953   23.232  106.953   23.232  172.072   20.241  172.072   20.241 0.000000 0.000000 
1 1 1  -22    0   10 o   62.255   35.388   17.761   23.717   17.761   23.717   17.761   23.717   62.255   35.388   62.255   35.388 0.000000 0.000000 
1 1 1  -22    0   11 o  236.550   15.114  196.690   24.513  196.690   24.513  196.690   24.513  236.550   15.114  236.550   15.114 0.000000 0.000000 
1 1 1  -22    0   12 o  255.893   14.440  229.902   25.388  229.902   25.388  229.902   25.388  255.893   14.440  255.893   14.440 0.000000 0.000000 
1 1 1  -22    0   13 o   31.726   22.641 -31.9527   22.232 -31.9527   22.232 -31.9527   22.232   31.726   22.641   31.726   22.641 0.000000 0.000000 
1 1 1  -22    0   14 o   89.406   43.148   44.327   31.021   44.327   31.021   44.327   31.021   89.406   43.148   89.406   43.148 0.000000 0.000000 
1 1 1  -22    0   15 o  197.685   12.494  138.419   16.938  138.419   16.938  138.419   16.938  197.685   12.494  197.685   12.494 0.000000 0.000000 
1 1 1  -22    0   16 o   66.255   29.553   23.546   14.384   23.546   14.384   23.546   14.384   66.255   29.553   66.255   29.553 0.000000 0.000000 
1 1 1  -22    0   17 o   60.510   30.042   21.225   15.206   21.225   15.206   21.225   15.206   60.510   30.042   60.510   30.042 0.000000 0.000000 
1 1 1  -22    0   18 o   49.193   28.677   14.155   16.168   14.155   16.168   14.155   16.168   49.193   28.677   49.193   28.677 0.000000 0.000000 
1 1 1  -22    0   19 o   43.421   27.123   10.456   16.686   10.456   16.686   10.456   16.686   43.421   27.123   43.421   27.123 0.000000 0.000000 
1 1 1  -22    2    1 o  952.893   7.3489  3144.80   48.467  3094.46   67.512  3198.33   69.620  944.858   10.324  960.562   10.472 -15.70361 14.70531 
1 1 1  -22    2    2 o  1021.40   7.7353  3613.53   54.683  3602.61   77.014  3624.64   77.656  1019.40   10.916  1022.50   10.973 -3.101624 15.47776 
1 1 1  -22    2    3 o  607.935   5.9925  1279.67   25.214  1273.55   35.557  1285.85   35.761  606.316   8.4731  609.237   8.4809 -2.921631 11.98832 
1 1 1  -22    2    4 o  535.729   6.9104  993.934   25.623  947.805   42.313  1020.64   32.198  522.790   11.694  542.772   8.5709 -19.98157 14.49878 
1 1 1  -22    2    5 o  386.665   8.6623  518.028   23.182  511.707   32.143  524.878   33.465  384.073   12.092  388.958   12.431 -4.884796 17.34194 
1 1 1  -22    2    6 o  571.443   6.2302  1130.86   24.640  1165.22   35.474  1098.83   34.251  579.847   8.8395  563.091   8.7887 16.75647 12.46503 
1 1 1  -22    2    7 o  485.697   6.3973  817.079   21.505  810.496   30.591  823.511   30.238  483.512   9.1412  487.396   8.9638 -3.883636 12.80274 
1 1 1  -22    2    8 o  147.727   14.900   76.710   15.027   60.359   21.723   91.714   20.808  128.874   25.257  160.955   19.048 -32.08067 31.63500 
1 1 1  -22    2    9 o  161.199   17.529   91.810   19.241  120.674   22.242   5.9756   38.356  185.051   17.577   88.108   37.050 96.94393 41.00781 
1 1 1  -22    2   10 o   75.936   29.323   14.009   21.858   0.0000   0.0000   14.009   21.858  ?   ?    75.936   29.323 0.000000 29.32341 
1 1 1  -22    2   11 o  259.504   9.9107  234.251   17.800  241.446   25.834  227.748   24.560  262.357   14.281  254.858   13.977 7.499237 19.98300 
1 1 1  -22    2   12 o  180.132   13.820  114.514   17.098  117.821   23.929  111.065   24.440  181.064   19.397  175.353   20.526 5.711075 28.24119 
1 1 1  -22    2   13 o   74.935   22.736   20.686   12.822   67.854   31.125   11.046   14.071  130.269   34.117   62.646   23.690 67.62325 41.53520 
1 1 1  -22    2   14 o   74.589   22.723   20.816   12.788   5.8149   14.282   81.512   28.727   56.622   23.092  143.367   29.918 -86.74527 37.79355 
1 1 1  -22    2   15 o   66.957   23.465   15.772   13.434   22.502   29.933   14.075   15.032   84.618   33.815   66.060   24.587 18.55824 41.80833 
1 1 1  -22    2   16 o   88.821   18.250   30.078   10.844   34.330   15.403   25.901   15.269   92.555   23.885   80.620   24.878 11.93494 34.48756 
1 1 1  -22    2   17 o   63.470   21.784   15.174   11.549   10.672   15.271   21.190   17.651   60.673   24.183   73.741   26.777 -13.06837 36.08052 
1 1 1  -22    2   18 o   56.571   21.952   10.393   12.297  -5.1756   19.161   21.295   16.034   51.748   23.705   71.868   25.592 -20.11953 34.88410 
1 1 1  -22    2   19 o   43.888   19.368   0.3753   11.512  -1.9186   16.243   2.6902   16.317   48.746   22.136   52.063   23.014 -3.317551 31.93137 
1 1 1  -22    4    1 o  725.780   6.2885  1823.97   31.589  1790.22   44.017  1859.81   45.360  718.822   8.8475  732.651   8.9454 -13.82843 12.58163 
1 1 1  -22    4    2 o  556.394   5.7975  1071.84   22.325  1040.56   31.075  1105.21   32.095  548.077   8.1921  564.844   8.2098 -16.76776 11.59791 
1 1 1  -22    4    3 o  614.234   6.0083  1306.33   25.542  1297.05   35.954  1315.78   36.294  611.882   8.4898  616.284   8.5089 -4.401611 12.01988 
1 1 1  -22    4    4 o  631.830   7.0682  1382.56   30.909  1327.81   50.753  1414.85   38.970  618.756   11.851  639.027   8.8111 -20.27075 14.76779 
1 1 1  -22    4    5 o   47.132   20.701  -3.4094   13.007  -6.8271   16.045   3.1410   22.213   50.362   22.507   67.795   28.331 -17.43304 36.18302 
1 1 1  -22    4    6 o   49.895   20.924   1.3044   12.180   0.2429   17.444   2.3144   17.015   58.232   24.760   59.306   24.791 -1.073257 35.03798 
1 1 1  -22    4    7 o  105.730   19.087   40.170   13.453   33.420   19.476   46.331   18.605   96.351   27.718  112.833   24.525 -16.48171 37.01022 
1 1 1  -22    4    8 o  378.240   7.1815  495.753   18.800  479.928   26.217  512.504   26.974  371.902   10.185  384.321   10.141 -12.41913 14.37280 
1 1 1  -22    4    9 o  374.828   8.7664  487.356   22.742  493.090   27.189  474.000   41.498  376.840   10.424  368.583   16.267 8.256470 19.32067 
1 1 1  -22    4   10 o  120.020   24.637   52.795   19.779  119.902   37.702   27.311   23.233  180.398   31.333   90.369   30.900 90.02884 44.00636 
1 1 1  -22    4   11 o  293.223   9.0589  298.849   18.384  316.604   27.024  283.552   25.083  301.116   12.967  285.014   12.716 16.10190 18.16136 
1 1 1  -22    4   12 o  284.170   9.5218  281.360   18.727  293.832   27.140  270.025   25.874  289.395   13.550  277.444   13.474 11.95047 19.10939 
1 1 1  -22    4   13 o  106.942   18.429   41.969   13.148   88.488   32.807   33.067   14.351  149.758   32.579   93.635   22.438 56.12227 39.55787 
1 1 1  -22    4   14 o   42.324   19.190  -5.8881   12.148 -26.8585   29.384  -1.5653   13.341   58.259   27.555   48.128   21.057 10.13118 34.67907 
1 1 1  -22    4   15 o   45.582   20.387  -3.8911   13.194   3.9083   30.554  -5.6790   14.629   72.913   31.884   46.818   21.158 26.09564 38.26551 
1 1 1  -22    4   16 o   48.712   19.735   4.8776   10.350  -7.7368   14.775   17.032   14.503   45.205   20.748   68.454   24.344 -23.24894 31.98565 
1 1 1  -22    4   17 o   49.043   20.125   4.8404   10.931   28.317   15.805 -16.6891   15.135   82.546   25.284   40.273   19.253 42.27347 31.77968 
1 1 1  -22    4   18 o   62.883   22.453   15.215   12.349 -16.8537   18.504   40.969   16.583   44.857   21.401   97.832   24.535 -52.97489 32.55685 
1 1 1  -22    4   19 o   49.020   20.409   5.6787   11.466 -23.3367   16.527   32.603   15.920   38.374   18.759   84.226   25.286 -45.85126 31.48439 
1 1 1  -22    6    1 o  238.931   7.2332  197.714   11.961  182.617   16.672  213.727   17.171  229.527   10.495  248.329   9.9905 -18.80167 14.48970 
1 1 1  -22    6    2 o  1067.52   7.9916  3947.48   59.045  3836.36   81.342  4071.24   85.845  1051.91   11.173  1083.58   11.447 -31.67188 15.99553 
1 1 1  -22    6    3 o  606.921   5.9863  1275.41   25.146  1246.97   34.951  1305.92   36.206  599.957   8.4170  613.966   8.5204 -14.00848 11.97677 
1 1 1  -22    6    4 o  463.365   6.7902  743.546   21.776  720.976   36.242  756.299   27.242  455.970   11.484  467.230   8.4244 -11.26010 14.24275 
1 1 1  -22    6    5 o  187.001   11.205  121.706   14.436  119.500   17.628  126.195   25.153  185.010   13.868  189.373   19.468 -4.362961 23.90204 
1 1 1  -22    6    6 o  516.548   6.2122  924.044   22.209  952.493   31.841  897.088   30.994  524.244   8.7755  508.766   8.8020 15.47778 12.42919 
1 1 1  -22    6    7 o  403.290   7.9285  563.634   22.130  615.122   40.942  542.381   26.304  420.670   14.062  395.483   9.6098 25.18726 17.03209 
1 1 1  -22    6    8 o  219.505   12.014  167.872   18.183  168.481   21.310  166.244   34.867  219.625   14.094  216.345   23.672 3.280014 27.54969 
1 1 1  -22    6    9 o  311.723   8.1183  336.972   17.515  378.708   25.141  297.609   24.415  330.176   11.002  292.583   12.057 37.59277 16.32191 
1 1 1  -22    6   10 o  165.532   14.658   96.369   16.620   75.658   23.644  116.594   23.366  144.258   24.562  181.320   18.896 -37.06273 30.98967 
1 1 1  -22    6   11 o  338.205   11.679  398.814   27.338   0.0000   0.0000  398.814   27.338  ?   ?   338.205   11.679 0.000000 11.67894 
1 1 1  -22    6   12 o   44.166   19.803  -5.1142   12.530 -33.5951   30.554   0.6438   13.738   58.519   27.800   51.426   21.923 7.093468 35.40410 
1 1 1  -22    6   13 o  166.595   16.543   99.624   18.823  123.512   33.925   89.000   22.625  180.117   28.133  155.415   21.619 24.70247 35.48051 
1 1 1  -22    6   14 o  105.538   17.928   41.151   12.627  -2.6220   33.204   48.551   13.652   73.232   32.577  114.903   17.738 -41.67132 37.09309 
1 1 1  -22    6   15 o   54.479   20.320   8.9710   10.278   8.7652   14.243   9.1947   14.846   59.092   23.417   60.276   23.901 -1.184143 33.46054 
1 1 1  -22    6   16 o   84.607   24.693   28.823   15.358  -0.6429   32.394   37.366   17.442   70.395   31.679   95.613   25.773 -25.21774 40.83878 
1 1 1  -22    6   17 o   89.805   18.774   31.417   11.293   14.970   16.357   46.400   15.612   66.042   25.405  107.858   21.666 -41.81518 33.38862 
1 1 1  -22    6   18 o   32.481   15.765 -16.2516   11.103 -11.8214   15.687 -20.6991   15.718   43.066   20.297   38.879   18.844 4.187656 27.69556 
1 1 1  -22    6   19 o   40.726   18.787  -5.2352   12.328   28.268   19.940 -25.9643   15.684   76.757   28.367   36.082   17.766 40.67556 33.47102 
1 1 1  -22    8    1 o  663.158   6.0323  1522.72   27.687  1470.83   38.110  1580.72   40.291  651.588   8.4506  675.476   8.6184 -23.88849 12.07016 
1 1 1  -22    8    2 o  966.324   7.4609  3234.14   49.899  3088.33   67.593  3408.78   73.973  943.921   10.346  991.617   10.778 -47.69531 14.94057 
1 1 1  -22    8    3 o  665.038   6.1988  1531.43   28.532  1485.85   39.577  1580.75   41.171  654.877   8.7318  675.459   8.8067 -20.58221 12.40170 
1 1 1  -22    8    4 o  188.558   10.944  123.687   14.220  136.585   22.849  115.532   18.168  197.505   16.877  181.830   14.559 15.67537 22.28876 
1 1 1  -22    8    5 o  435.887   7.0810  658.076   21.362  657.338   26.279  659.512   36.679  435.544   8.7177  435.990   12.155 -0.4458313 14.95816 
1 1 1  -22    8    6 o  186.064   10.525  120.452   13.498  123.502   18.493  116.973   19.748  187.989   14.321  182.729   15.769 5.260284 21.30185 
1 1 1  -22    8    7 o  496.931   9.1169  856.202   31.356  856.202   31.356   0.0000   0.0000  496.931   9.1169  ?   ?  0.000000 9.116889 
1 1 1  -22    8    8 o  283.303   9.6309  278.450   18.884  268.850   23.116  297.707   32.741  278.182   12.006  291.808   16.276 -13.62619 20.22555 
1 1 1  -22    8    9 f  204.634   11.352  145.964   16.015  131.306   23.167  159.378   22.163  193.054   17.530  213.288   15.111 -20.23372 23.14409 
1 1 1  -22    8   10 o  284.433   8.9589  280.904   17.636  311.687   25.931  254.410   24.057  299.137   12.525  270.210   12.864 28.92755 17.95415 
1 1 1  -22    8   11 o  181.855   27.974  121.951   34.082   0.0000   0.0000  121.951   34.082  ?   ?   181.855   27.974 0.000000 27.97438 
1 1 1  -22    8   12 o  222.873   9.3487  173.099   14.421  194.049   32.508  167.966   16.090  232.138   20.442  219.327   10.600 12.81145 23.02691 
1 1 1  -22    8   13 o   71.412   23.077   18.360   12.999 -29.4342   31.347   28.285   14.285   60.331   28.512   86.457   23.332 -26.12558 36.84134 
1 1 1  -22    8   14 o   46.662   20.183  -0.3389   11.968   64.732   31.519 -11.3015   12.937  124.446   35.083   40.136   18.762 84.31037 39.78483 
1 1 1  -22    8   15 o   57.161   22.183   8.9157   12.557   52.683   32.470   1.2190   13.616  110.052   36.524   50.577   21.699 59.47564 42.48380 
1 1 1  -22    8   16 o   35.866   17.395 -20.1987   13.451 -30.1220   32.472 -18.1433   14.779   58.511   28.033   39.306   18.853 19.20518 33.78250 
1 1 1  -22    8   17 o   79.289   20.259   25.027   11.158   31.874   15.882   18.353   15.681   87.256   25.009   69.437   25.235 17.81879 35.52813 
1 1 1  -22    8   18 o   34.307   16.405 -12.3806   11.001 -27.1819   15.615   2.2056   15.501   36.145   17.784   51.950   22.714 -15.80519 28.84731 
1 1 1  -22    8   19 o   66.454   25.592   18.732   16.614   17.117   21.006   21.429   27.149   66.370   27.628   71.374   30.632 -5.004517 41.25027 
1 1 1  -22   10    1 f  791.887   6.5964  2171.51   36.153  2122.66   50.176  2224.25   52.138  782.678   9.2626  801.173   9.4027 -18.49500 13.19871 
1 1 1  -22   10    2 o  203.722   8.2733  143.773   11.665  148.992   16.263  138.243   16.742  206.976   11.397  199.271   12.198 7.704926 16.69336 
1 1 1  -22   10    3 o  783.234   7.6009  2124.83   41.203  2074.15   69.528  2152.26   51.154  773.165   12.993  788.088   9.3783 -14.92328 16.02414 
1 1 1  -22   10    4 o  341.671   7.4818  404.358   17.693  372.925   21.617  468.146   30.794  328.029   9.5214  367.359   12.112 -39.33084 15.40602 
1 1 1  -22   10    5 o  134.839   15.902   64.074   14.555   68.594   18.139   55.902   24.389  139.001   19.382  123.723   28.989 15.27804 34.87097 
1 1 1  -22   10    6 o  162.924   14.648   93.004   16.340  108.341   29.868   86.452   19.521  173.985   25.566  156.457   18.377 17.52765 31.48560 
1 1 1  -22   10    7 o  592.116   6.3786  1214.47   26.140  1193.91   36.569  1235.95   37.380  586.797   9.0043  597.033   9.0461 -10.23596 12.76366 
1 1 1  -22   10    8 o  252.332   10.527  221.028   18.385  212.451   22.312  239.171   32.449  246.833   13.107  261.086   18.068 -14.25386 22.32184 
1 1 1  -22   10    9 o  367.264   7.5439  467.677   19.176  458.717   27.212  476.513   27.026  363.358   10.820  370.377   10.543 -7.018463 15.10748 
1 1 1  -22   10   10 o   73.521   25.250   17.724   15.517   13.089   22.243   22.119   21.658   75.350   29.446   83.613   29.747 -8.263863 41.85605 
1 1 1  -22   10   11 o  282.864   8.8827  278.211   17.390   0.0000   0.0000  278.211   17.390  ?   ?   282.864   8.8827 0.000000 8.882749 
1 1 1  -22   10   12 o  159.491   16.480   90.909   17.929   77.756   29.466   98.641   22.593  142.015   30.860  164.942   20.214 -22.92702 36.89081 
1 1 1  -22   10   13 o  141.933   13.414   71.672   13.021   67.561   30.164   72.613   14.435  129.673   33.405  142.434   14.862 -12.76109 36.56143 
1 1 1  -22   10   14 o   69.655   22.603   17.758   12.461   66.293   31.973   9.0655   13.531  125.534   35.316   59.010   22.992 66.52473 42.14060 
1 1 1  -22   10   15 o   43.676   19.986  -7.2789   13.569 -38.2732   31.612  -0.2785   15.024   55.930   27.011   51.476   22.438 4.453178 35.11488 
1 1 1  -22   10   16 o   38.131   17.529  -6.3387   10.602 -25.9392   15.088   12.783   14.902   36.454   17.842   63.365   24.278 -26.91092 30.12940 
1 1 1  -22   10   17 o   43.813   19.273  -0.7372   11.312 -25.1243   15.641   26.007   16.380   37.367   18.263   79.033   25.928 -41.66600 31.71405 
1 1 1  -22   10   18 o   57.578   21.267   12.028   11.204   25.978   15.755  -2.2455   15.937   77.386   25.431   49.127   22.154 28.25948 33.72678 
1 1 1  -22   12    1 o  551.498   5.7892  1053.07   22.097  1005.91   30.358  1106.22   32.226  538.870   8.1398  565.092   8.2397 -26.22156 11.58224 
1 1 1  -22   12    2 o  1013.35   7.7168  3556.92   54.122  3452.17   74.321  3675.18   78.971  997.883   10.761  1029.55   11.083 -31.67096 15.44755 
1 1 1  -22   12    3 o  211.018   11.823  154.924   17.198  140.049   23.076  173.512   25.795  200.016   16.826  222.781   16.854 -22.76494 23.81529 
1 1 1  -22   12    4 o  203.876   10.324  144.473   14.520  139.139   17.683  155.512   25.438  199.821   12.854  210.699   17.605 -10.87791 21.79868 
1 1 1  -22   12    5 o   57.075   22.766   5.7557   13.544   6.1870   16.382   4.8244   24.073   61.939   24.922   71.523   29.658 -9.584114 38.73869 
1 1 1  -22   12    6 o  101.700   20.691   37.414   14.068   58.251   17.605   0.6083   23.398  127.570   20.645   67.427   28.673 60.14298 35.33266 
1 1 1  -22   12    7 o  175.735   13.541  107.994   16.343   90.821   20.195  140.585   27.821  160.265   18.550  199.498   20.437 -39.23293 27.60016 
1 1 1  -22   12    8 o  122.173   17.472   53.143   14.353   52.083   20.502   54.162   20.102  119.342   25.589  121.912   24.671 -2.569290 35.54510 
1 1 1  -22   12    9 o  319.511   8.0124  354.090   17.718  352.072   26.029  355.833   24.187  318.170   11.820  319.982   10.921 -1.811462 16.09336 
1 1 1  -22   12   10 o  254.734   10.770  225.764   18.988  195.366   30.867  244.273   24.085  234.867   19.155  264.622   13.151 -29.75455 23.23489 
1 1 1  -22   12   11 o  184.436   10.879  119.020   13.826  140.781   34.446  114.841   15.096  195.970   26.041  180.917   12.126 15.05290 28.72583 
1 1 1  -22   12   12 o   56.162   26.822 -34.6537   29.220   0.0000   0.0000 -34.6537   29.220  ?   ?    56.162   26.822 0.000000 26.82188 
1 1 1  -22   12   13 o  172.309   11.320  104.667   13.425  123.219   29.864   99.968   15.029  181.383   24.408  167.877   13.037 13.50589 27.67173 
1 1 1  -22   12   14 o   56.419   21.866   8.3891   12.188   31.844   29.207   3.4434   13.412   92.774   34.322   52.707   22.019 40.06660 40.77808 
1 1 1  -22   12   15 o   91.654   21.365   32.569   13.303   49.463   32.667   29.211   14.565  106.446   36.631   86.082   23.698 20.36402 43.62855 
1 1 1  -22   12   16 o   40.465   18.860  -9.6247   12.921   12.190   32.086 -13.8469   14.116   76.362   33.039   40.211   19.042 36.15166 38.13343 
1 1 1  -22   12   17 o   65.016   23.720   15.694   13.875   19.239   30.492   14.768   15.581   77.288   32.795   64.949   24.840 12.33876 41.14039 
1 1 1  -22   12   18 o   44.104   20.302  -5.9574   14.288 -10.3455   16.433   7.6390   28.926   44.771   20.998   67.076   30.080 -22.30475 36.68418 
1 1 1  -22   14    1 o  405.000   6.7519  568.031   18.926  536.788   22.688  639.512   34.317  393.630   8.3279  429.428   11.546 -35.79819 14.23629 
1 1 1  -22   14    2 o  163.474   12.020   93.193   13.504   86.360   16.449  107.317   23.649  156.934   15.341  174.425   19.949 -17.49112 25.16533 
1 1 1  -22   14    3 o  274.167   9.8632  260.552   18.716  256.634   25.569  265.073   27.470  271.898   13.587  275.904   14.436 -4.005585 19.82415 
1 1 1  -22   14    4 o  222.099   9.6830  170.996   14.885  146.448   18.033  223.463   26.364  205.016   12.773  253.138   15.117 -48.12207 19.79057 
1 1 1  -22   14    5 o  339.216   7.9535  398.713   18.673  379.623   22.804  437.561   32.531  330.875   9.9580  354.952   13.242 -24.07736 16.56819 
1 1 1  -22   14    6 o   43.399   19.618  -6.8640   12.585  -5.5615   16.878  -8.4951   18.888   52.697   23.344   54.188   24.303 -1.490322 33.69864 
1 1 1  -22   14    7 o  318.718   8.8105  352.254   19.435  352.303   23.440  352.146   34.765  318.591   10.630  317.945   15.798 0.6456909 19.04175 
1 1 1  -22   14    8 o  392.602   7.0779  534.228   19.233  534.684   27.867  533.813   26.576  392.434   10.260  392.171   9.7913 0.2626343 14.18240 
1 1 1  -22   14    9 o   67.308   22.445   15.155   12.256  -0.5424   27.199   19.155   13.729   71.213   30.614   74.263   23.687 -3.050224 38.70739 
1 1 1  -22   14   10 o  214.989   9.3620  160.653   13.930  182.098   30.517  155.009   15.657  226.396   19.672  210.759   10.769 15.63698 22.42667 
1 1 1  -22   14   11 o  131.421   19.407   62.533   17.121   56.293   29.090   65.840   21.178  120.898   33.571  133.557   23.783 -12.65866 41.14173 
1 1 1  -22   14   12 o  123.971   16.913   55.508   14.133   0.0000   0.0000   55.508   14.133  ?   ?   123.971   16.913 0.000000 16.91253 
1 1 1  -22   14   13 o   63.604   22.533   13.368   12.414   15.459   28.729   12.889   13.766   80.676   32.810   64.261   23.600 16.41486 40.41552 
1 1 1  -22   14   14 o  151.702   13.985   82.606   14.519   64.000   31.039   87.817   16.426  122.884   34.875  155.858   15.431 -32.97438 38.13638 
1 1 1  -22   14   15 o   40.134   18.703  -9.9397   12.700 -31.6293   31.284  -5.6599   13.896   57.416   27.510   45.298   20.533 12.11842 34.32783 
1 1 1  -22   14   16 o   38.262   18.214 -14.3303   13.245 -58.9756   30.644  -4.0740   14.688   48.252   23.951   47.297   21.304 0.9553566 32.05463 
1 1 1  -22   14   17 o  115.664   18.575   51.825   14.366   72.585   30.539   45.925   16.280  122.096   34.573  105.911   22.879 16.18469 41.45715 
1 1 1  -22   14   18 o   70.558   24.152   21.056   14.194   18.880   16.429   27.459   28.183   68.215   25.642   78.540   32.281 -10.32498 41.22596 
1 1 1  -22   16    1 o  554.772   6.7688  1065.88   25.990  1037.52   31.267  1129.27   46.749  547.241   8.2552  570.583   11.838 -23.34125 14.43202 
1 1 1  -22   16    2 o  381.642   8.3696  504.637   22.108  539.024   31.100  469.512   31.432  394.228   11.398  367.861   12.346 26.36746 16.80275 
1 1 1  -22   16    3 o  496.439   12.097  855.122   41.563   0.0000   0.0000  855.122   41.563  ?   ?   496.439   12.097 0.000000 12.09650 
1 1 1  -22   16    4 o  370.864   12.648  477.463   32.466   0.0000   0.0000  477.463   32.466  ?   ?   370.864   12.648 0.000000 12.64849 
1 1 1  -22   16    5 o  288.072   8.4771  287.625   16.902  275.210   20.479  314.146   29.932  281.668   10.505  300.619   14.386 -18.95099 17.81310 
1 1 1  -22   16    6 o  534.459   7.2694  989.781   26.890  988.229   32.468  993.171   47.981  533.880   8.7868  534.617   12.967 -0.7369995 15.66384 
1 1 1  -22   16    7 o  162.827   12.392   92.672   13.860   92.746   19.219   92.591   20.007  162.113   17.401  161.834   18.176 0.2793884 25.16304 
1 1 1  -22   16    8 o  178.840   12.166  111.731   14.969  116.708   20.929  106.519   21.418  182.044   16.801  173.597   18.092 8.446167 24.68947 
1 1 1  -22   16    9 o  114.613   16.552   46.885   12.749   3.6937   27.614   58.587   14.373   74.406   31.370  128.367   16.564 -53.96014 35.47472 
1 1 1  -22   16   10 o  167.953   11.410   98.760   13.185  118.390   30.204   94.138   14.655  180.411   24.848  163.663   13.046 16.74736 28.06481 
1 1 1  -22   16   11 o  163.371   15.544   94.831   17.363   95.512   30.586   94.508   21.092  159.219   28.816  162.006   19.183 -2.787216 34.61749 
1 1 1  -22   16   12 o  132.898   15.619   63.371   14.093   0.0000   0.0000   63.371   14.093  ?   ?   132.898   15.619 0.000000 15.61937 
1 1 1  -22   16   13 o  131.503   21.016   64.428   18.484   37.795   29.628   81.398   23.651   99.272   34.845  146.606   24.149 -47.33472 42.39496 
1 1 1  -22   16   14 o   65.991   22.869   15.322   12.743   40.946   29.676   9.5295   14.109  100.305   34.891   59.965   23.447 40.34047 42.03757 
1 1 1  -22   16   15 o   95.905   20.349   35.474   13.089   15.971   31.175   39.647   14.421   79.433   33.402  101.081   21.286 -21.64788 39.60813 
1 1 1  -22   16   16 o   71.872   23.716   20.292   13.697   50.780   30.161   12.370   15.374  104.140   35.209   62.898   24.508 41.24176 42.89825 
1 1 1  -22   16   17 o   54.185   24.155  -0.3302   18.357 -47.2439   29.676   28.750   23.364   48.944   24.163   81.524   30.591 -32.58044 38.98303 
1 1 1  -22   16   18 o   69.694   24.106   20.623   14.155   26.493   28.511   18.703   16.307   77.316   32.186   67.659   25.522 9.657158 41.07687 
1 1 1  -22   18    1 o  167.636   11.627   97.949   13.407  129.902   23.252   82.036   16.409  192.415   17.657  152.830   15.738 39.58469 23.65313 
1 1 1  -22   18    2 o   69.342   25.210   13.817   15.653   0.8156   21.722   27.859   22.575   65.280   27.689   91.375   30.461 -26.09499 41.16460 
1 1 1  -22   18    3 o  434.308   6.9988  653.370   21.038  630.951   25.168  705.366   38.328  426.693   8.5222  450.810   12.284 -24.11652 14.95089 
1 1 1  -22   18    4 o  188.902   11.357  124.267   14.779  121.445   17.755  130.634   26.667  186.447   13.858  192.408   20.333 -5.960907 24.60655 
1 1 1  -22   18    5 o  265.907   7.9096  245.043   14.557  253.646   19.999  235.351   21.228  270.371   10.687  260.363   11.780 10.00778 15.90584 
1 1 1  -22   18    6 o  306.791   8.6572  326.354   18.382  317.999   22.479  343.220   31.937  302.679   10.731  314.037   14.694 -11.35876 18.19490 
1 1 1  -22   18    7 o  290.828   8.0314  293.265   16.166  283.945   22.341  303.507   23.421  285.899   11.291  295.567   11.449 -9.668182 16.07989 
1 1 1  -22   18    8 o  179.712   10.486  112.581   12.986  138.098   25.919  104.029   15.005  197.574   19.196  172.432   12.661 25.14183 22.99596 
1 1 1  -22   18    9 o  181.920   10.562  115.484   13.242  145.415   28.016  106.874   15.026  202.165   20.297  174.684   12.511 27.48094 23.84304 
1 1 1  -22   18   10 o  179.402   17.007  114.290   20.865  148.683   28.906   76.878   30.148  203.650   20.800  142.350   31.439 61.29990 37.69711 
1 1 1  -22   18   11 o   83.004   21.126   25.633   12.167   62.585   30.011   18.364   13.310  126.475   33.683   72.029   23.360 54.44630 40.99021 
1 1 1  -22   18   12 o  177.451   12.005  111.091   14.657   0.0000   0.0000  111.091   14.657  ?   ?   177.451   12.005 0.000000 12.00451 
1 1 1  -22   18   13 o   77.666   23.098   22.807   13.331   25.946   31.838   22.140   14.679   89.972   35.209   77.008   24.486 12.96400 42.88646 
1 1 1  -22   18   14 o   38.250   18.013 -11.9521   12.309   5.9268   29.344 -15.7698   13.560   73.030   31.596   38.589   18.386 34.44108 36.55610 
1 1 1  -22   18   15 f   80.149   22.305   25.305   12.826   20.151   29.476   26.509   14.246   80.782   33.086   81.668   23.767 -0.8857803 40.73791 
1 1 1  -22   18   16 o  118.206   17.375   52.885   13.790   25.756   29.716   60.331   15.568   82.675   33.460  125.735   18.437 -43.06020 38.20338 
1 1 1  -22   18   17 o   55.873   24.618   2.1256   18.525   4.8088   29.229   0.3242   23.949   67.131   30.162   60.350   27.191 6.781322 40.60894 
1 1 1  -22   18   18 o   36.115   17.611 -20.6301   14.311   15.927   27.513 -34.1904   16.757   69.533   30.335   35.274   17.543 34.25848 35.04204 
1 1 1  -22   20    1 o  367.140   7.2149  466.930   18.333  436.414   22.404  528.781   31.896  354.832   9.1227  390.368   11.805 -35.53568 14.91947 
1 1 1  -22   20    2 o  115.713   17.306   47.626   13.434   53.220   22.529   44.539   16.735  120.742   27.566  110.916   22.568 9.825813 35.62571 
1 1 1  -22   20    3 o  240.452   9.8782  200.496   16.439  151.610   29.332  222.885   19.850  207.362   20.715  253.441   11.316 -46.07860 23.60429 
1 1 1  -22   20    4 o  205.276   9.4413  146.121   13.414  147.045   18.311  145.052   19.705  205.336   12.951  203.792   14.057 1.543488 19.11319 
1 1 1  -22   20    5 o  662.625   6.4760  1521.05   29.700  1455.81   40.429  1597.53   43.774  647.937   9.0154  678.693   9.3189 -30.75641 12.96608 
1 1 1  -22   20    6 o  194.602   10.971  131.913   14.716  123.352   20.379  141.242   21.273  187.477   15.854  200.770   15.428 -13.29341 22.12149 
1 1 1  -22   20    7 o  396.325   7.7794  544.633   21.339  517.073   33.173  564.087   27.871  385.579   12.431  403.084   9.9902 -17.50504 15.94767 
1 1 1  -22   20    8 o  243.257   8.4127  205.344   14.164  199.268   27.466  207.545   16.531  238.083   16.775  244.439   9.7715 -6.356598 19.41389 
1 1 1  -22   20    9 o  131.054   14.352   60.747   12.805   85.268   27.635   54.042   14.450  152.083   27.256  122.850   17.489 29.23238 32.38409 
1 1 1  -22   20   10 o  158.673   15.777   89.418   17.097  108.634   28.564   78.690   21.342  172.145   24.680  147.080   21.610 25.06540 32.80420 
1 1 1  -22   20   11 o  102.449   17.661   38.293   12.071  -8.0098   28.185   48.693   13.358   66.451   29.754  115.968   17.161 -49.51730 34.34793 
1 1 1  -22   20   12 o  100.277   20.462   37.598   13.720   0.0000   0.0000   37.598   13.720  ?   ?   100.277   20.462 0.000000 20.46156 
1 1 1  -22   20   13 o   89.028   21.721   30.314   13.265   0.0000   0.0000   30.314   13.265  ?   ?    89.028   21.721 0.000000 21.72096 
1 1 1  -22   20   14 o  130.324   14.912   61.739   13.208  129.415   29.615   44.935   14.757  183.413   23.897  108.658   20.372 74.75465 31.40202 
1 1 1  -22   20   15 o   86.988   22.133   29.976   13.358   38.746   30.605   27.912   14.847   95.069   35.142   83.353   24.265 11.71645 42.70501 
1 1 1  -22   20   16 o   88.221   27.198   33.238   18.254   48.829   27.561   21.053   24.365  102.005   33.641   76.339   30.507 25.66582 45.41349 
1 1 1  -22   20   17 o   59.952   22.627   12.790   12.821  -1.3244   28.216   16.462   14.393   62.883   28.791   65.420   24.115 -2.537216 37.55621 
1 1 1  -22   20   18 o   55.938   23.328   8.8066   15.017 -11.5854   29.032   16.255   17.546   56.887   27.046   64.708   25.878 -7.820679 37.43250 
1 1 1  -22   22    1 o  370.701   7.2180  476.079   18.519  438.976   31.663  495.370   22.831  355.531   12.868  378.040   8.7260 -22.50858 15.54741 
1 1 1  -22   22    2 o  122.704   14.336   53.043   11.946   31.220   16.932   74.668   16.855   92.871   25.544  145.446   17.068 -52.57519 30.72206 
1 1 1  -22   22    3 o  240.245   9.6707  200.170   16.080  181.740   19.226  243.073   29.334  228.448   12.204  263.744   16.147 -35.29610 20.24054 
1 1 1  -22   22    4 o  281.437   7.6267  274.500   14.856  281.214   20.833  267.554   21.190  284.667   10.574  277.633   11.028 7.034363 15.27808 
1 1 1  -22   22    5 o  406.336   7.5720  572.270   21.295  549.179   25.618  623.903   38.307  397.894   9.3024  423.612   13.066 -25.71756 16.03894 
1 1 1  -22   22    6 o  291.792   7.4627  295.147   15.071  278.341   29.037  301.344   17.632  282.254   14.917  294.753   8.6431 -12.49924 17.24021 
1 1 1  -22   22    7 o  153.970   12.058   82.963   12.746   91.073   23.930   79.750   15.061  159.352   22.308  150.536   14.641 8.817078 26.68371 
1 1 1  -22   22    8 o  357.206   8.2903  442.883   20.496  404.537   32.466  468.293   26.428  340.493   13.777  366.994   10.405 -26.50058 17.26412 
1 1 1  -22   22    9 o  144.541   17.012   74.451   16.692   99.756   27.807   60.195   20.871  165.166   25.117  127.761   24.495 37.40517 35.08348 
1 1 1  -22   22   10 o  170.982   11.019  102.506   12.971  129.658   29.053   95.746   14.495  188.746   22.695  164.843   12.806 23.90335 26.05858 
1 1 1  -22   22   11 o   71.122   21.988   18.401   11.922 -12.1902   27.528   25.463   13.226   63.232   28.754   82.416   22.539 -19.18365 36.53443 
1 1 1  -22   22   12 o   99.392   20.063   36.972   13.326   14.488   30.125   42.442   14.859   81.073   33.355  106.358   20.931 -25.28482 39.37819 
1 1 1  -22   22   13 o  119.725   16.946   52.605   13.650   0.0000   0.0000   52.605   13.650  ?   ?   119.725   16.946 0.000000 16.94641 
1 1 1  -22   22   14 f   67.287   22.277   16.782   12.082   37.644   27.036   11.576   13.505   95.451   33.297   61.268   23.199 34.18256 40.58198 
1 1 1  -22   22   15 o  144.709   14.377   76.500   14.208   92.585   31.471   72.382   15.923  145.657   32.085  139.387   16.848 6.270203 36.23927 
1 1 1  -22   22   16 o   69.241   24.102   18.785   14.162   73.561   26.832  -2.3660   16.674  128.037   30.681   50.944   22.842 77.09274 38.25018 
1 1 1  -22   22   17 o   94.014   20.424   35.944   12.910 -12.8195   29.291   47.700   14.382   58.417   27.593  109.182   19.760 -50.76434 33.93859 
1 1 1  -22   24    1 o  127.585   15.865   57.524   13.707   18.937   23.959   76.299   16.712   83.214   31.026  147.071   16.715 -63.85779 35.24251 
1 1 1  -22   24    2 o  169.704   12.797  100.621   14.920   87.774   18.218  126.781   25.997  157.822   16.944  189.436   20.137 -31.61369 26.31721 
1 1 1  -22   24    3 o  185.715   10.846  120.119   13.881  112.673   19.362  127.994   19.911  179.192   15.773  191.165   15.174 -11.97311 21.88630 
1 1 1  -22   24    4 f  200.566   9.6374  139.562   13.378  127.444   19.160  151.089   18.688  190.795   14.621  208.061   13.043 -17.26617 19.59330 
1 1 1  -22   24    5 o   59.226   21.852   9.7398   11.822   11.839   23.458   9.0251   13.688   76.070   30.082   60.897   23.284 15.17312 38.03986 
1 1 1  -22   24    6 o  304.599   7.3697  321.667   15.537  318.244   30.541  322.862   18.046  302.159   14.604  305.068   8.5470 -2.908081 16.92107 
1 1 1  -22   24    7 o  402.697   6.5284  562.141   18.196  512.195   34.587  581.254   21.396  383.416   13.034  409.368   7.5515 -25.95181 15.06319 
1 1 1  -22   24    8 o  262.455   8.0424  239.146   14.609  245.463   29.002  236.998   16.911  264.189   15.936  261.124   9.3572 3.065247 18.47980 
1 1 1  -22   24    9 o  123.724   20.396   55.717   16.857   25.790   28.209   72.338   21.023   91.075   33.723  140.753   22.325 -49.67822 40.44365 
1 1 1  -22   24   10 o   89.071   20.426   29.482   12.324   9.3463   26.895   34.833   13.865   75.932   31.405   96.746   21.285 -20.81399 37.93877 
1 1 1  -22   24   11 o  141.455   12.951   71.017   12.538  105.024   28.668   62.973   13.943  167.033   25.616  132.405   15.509 34.62785 29.94474 
1 1 1  -22   24   12 o  142.619   12.882   72.452   12.578   32.663   30.307   80.732   13.825   94.693   34.976  150.431   13.420 -55.73796 37.46257 
1 1 1  -22   24   13 o  252.854   9.4275  224.396   16.499   0.0000   0.0000  224.396   16.499  ?   ?   252.854   9.4275 0.000000 9.427544 
1 1 1  -22   24   14 o  137.429   14.009   68.487   13.139   46.044   30.037   73.797   14.610  102.673   35.134  142.207   15.074 -39.53409 38.23106 
1 1 1  -22   24   15 o   70.599   27.093   17.367   18.576   13.532   30.231   19.694   23.545   75.384   32.337   75.669   30.069 -0.2856369 44.15708 
1 1 1  -22   24   16 o   82.602   23.308   28.336   13.906   21.893   29.684   30.147   15.739   78.200   32.721   84.326   25.102 -6.125618 41.24101 
1 1 1  -22   24   17 o  100.489   19.232   40.522   12.889   6.3415   29.522   48.571   14.326   66.461   30.044  110.005   19.532 -43.54398 35.83492 
1 1 1  -22   26    1 o   86.005   21.137   26.917   12.492  -2.6731   18.216   53.189   17.164   57.073   24.793  121.564   21.170 -64.49162 32.60168 
1 1 1  -22   26    2 o  712.034   7.5819  1757.19   37.364  1703.98   44.707  1880.49   68.048  700.910   9.2158  735.392   13.370 -34.48248 16.23815 
1 1 1  -22   26    3 o  131.314   14.381   60.725   12.856   84.468   18.512   38.603   17.868  154.583   17.617  102.694   25.304 51.88891 30.83248 
1 1 1  -22   26    4 o  727.888   7.4317  1836.55   37.439  1680.49   61.143  1930.16   47.356  695.160   12.708  745.882   9.1732 -50.72253 15.67315 
1 1 1  -22   26    5 o  191.394   9.8487  127.511   13.002   84.146   24.304  144.899   15.389  152.799   23.753  203.927   10.944 -51.12772 26.15266 
1 1 1  -22   26    6 o  149.350   12.324   78.157   12.625  108.976   25.944   68.594   14.452  174.559   21.960  139.365   15.231 35.19398 26.72507 
1 1 1  -22   26    7 o  200.390   9.7499  139.570   13.522  134.732   26.152  141.335   15.798  194.650   19.683  201.177   11.393 -6.527054 22.74209 
1 1 1  -22   26    8 o  102.789   22.974   39.085   15.933   31.688   25.685   43.711   20.313   95.432   32.490  108.042   27.187 -12.61021 42.36447 
1 1 1  -22   26    9 o  115.770   16.231   48.149   12.648   58.585   27.722   45.406   14.213  123.199   32.166  111.604   19.086 11.59467 37.40196 
1 1 1  -22   26   10 o   69.485   22.275   17.249   12.130   20.449   25.471   16.311   13.794   83.108   31.765   69.249   23.805 13.85865 39.69535 
1 1 1  -22   26   11 o  247.667   9.0560  214.266   15.523  213.268   30.527  214.614   18.028  243.023   18.283  247.463   10.526 -4.440475 21.09677 
1 1 1  -22   26   12 o  103.351   16.931   39.323   11.691   24.844   28.863   42.165   12.787   86.965   33.664  106.729   17.948 -19.76457 38.14988 
1 1 1  -22   26   13 o   90.338   21.332   31.522   13.124   0.0000   0.0000   31.522   13.124  ?   ?    90.338   21.332 0.000000 21.33207 
1 1 1  -22   26   14 o   59.964   23.002   10.930   13.386   0.0000   0.0000   10.930   13.386  ?   ?    59.964   23.002 0.000000 23.00203 
1 1 1  -22   26   15 f   66.328   23.395   16.517   13.368   43.717   29.588   9.5407   14.985   97.147   34.747   59.316   23.846 37.83163 42.14248 
1 1 1  -22   26   16 o   44.720   20.584  -6.6536   14.685  -4.9756   27.953  -7.2933   17.258   61.391   28.309   48.200   22.232 13.19053 35.99540 
1 1 1  -22   26   17 o   66.602   24.073   18.376   14.243  -9.7268   28.477   27.751   16.448   57.848   27.288   78.379   25.994 -20.53107 37.68772 
1 1 1  -22   28    1 o  552.994   6.2357  1059.44   23.866  972.198   32.324  1164.01   35.387  529.435   8.8214  579.313   8.8259 -49.87793 12.47847 
1 1 1  -22   28    2 o   80.389   27.249   21.335   18.066   0.0000   0.0000   21.335   18.066  ?   ?    80.389   27.249 0.000000 27.24915 
1 1 1  -22   28    3 o  439.110   6.1865  668.062   18.802  593.171   35.885  696.400   22.074  412.993   12.554  448.240   7.1153 -35.24683 14.43044 
1 1 1  -22   28    4 o  436.653   7.5516  661.090   22.822  555.610   35.420  735.964   29.842  399.580   12.808  460.477   9.3637 -60.89777 15.86551 
1 1 1  -22   28    5 o  386.391   6.3673  517.450   17.028  461.951   32.876  537.796   19.906  364.191   13.043  393.819   7.3032 -29.62836 14.94848 
1 1 1  -22   28    6 o  230.647   8.7146  184.711   13.911  147.707   27.369  197.602   16.154  203.981   19.628  238.455   9.7879 -34.47438 21.93352 
1 1 1  -22   28    7 o  188.250   10.417  123.726   13.519  125.219   26.145  123.181   15.794  187.056   20.532  187.520   12.237 -0.4633179 23.90222 
1 1 1  -22   28    8 o  259.440   10.053  234.525   18.051  255.756   29.095  221.238   23.016  269.185   15.684  251.006   13.296 18.17879 20.56183 
1 1 1  -22   28    9 o  194.418   9.5322  131.808   12.827  155.805   26.638  124.565   14.635  208.382   18.668  188.389   11.276 19.99252 21.80919 
1 1 1  -22   28   10 o  131.320   13.528   61.407   12.119   67.756   25.740   59.599   13.737  132.157   28.943  128.714   15.749 3.442352 32.95002 
1 1 1  -22   28   11 o   51.589   20.961   4.7321   11.712  -4.3917   26.355   6.9774   13.074   65.113   28.990   56.207   22.384 8.905605 36.62626 
1 1 1  -22   28   12 f  209.384   9.2086  153.680   13.345  156.829   31.344  152.983   14.748  204.156   22.560  208.602   10.215 -4.445587 24.76462 
1 1 1  -22   28   13 o  144.121   14.117   75.152   13.900   0.0000   0.0000   75.152   13.900  ?   ?   144.121   14.117 0.000000 14.11670 
1 1 1  -22   28   14 o   68.526   28.937   9.9498   23.558   0.0000   0.0000   9.9498   23.558  ?   ?    68.526   28.937 0.000000 28.93748 
1 1 1  -22   28   15 o   88.002   22.143   31.425   13.476   52.146   29.061   25.749   15.210  104.193   34.553   78.915   24.906 25.27888 42.59332 
1 1 1  -22   28   16 o  155.004   12.904   88.235   13.717   96.098   26.802   85.445   15.967  148.649   27.048  150.603   15.542 -1.953995 31.19480 
1 1 1  -22   28   17 o   40.377   18.785  -6.9127   12.728  -8.8146   26.789  -6.3582   14.464   56.124   26.473   43.494   20.164 12.63013 33.27750 
1 1 1  -22   30    1 f  145.055   16.505   74.385   16.275   61.659   29.712   79.840   19.453  128.783   33.142  149.812   19.204 -21.02931 38.30344 
1 1 1  -22   30    2 o  300.220   7.0840  312.436   14.719  281.122   29.053  323.250   17.073  283.583   14.854  305.293   8.0800 -21.70996 16.90968 
1 1 1  -22   30    3 o  199.119   10.491  138.124   14.407  142.537   27.068  136.380   17.018  200.628   19.749  197.577   12.509 3.051041 23.37756 
1 1 1  -22   30    4 o  121.121   16.966   52.300   13.832   52.537   24.118   52.184   16.885  118.934   29.454  120.088   21.085 -1.153915 36.22314 
1 1 1  -22   30    5 o  309.242   7.1142  331.675   15.226  309.902   29.267  339.755   17.829  297.931   14.193  312.867   8.2338 -14.93610 16.40884 
1 1 1  -22   30    6 o   46.922   20.393  -1.7056   12.336   25.327   25.348 -10.0946   14.121   89.229   32.135   43.996   20.226 45.23263 37.97020 
1 1 1  -22   30    7 o  160.766   15.455   91.600   16.985  110.244   27.334   79.874   21.678  174.128   23.263  148.269   21.774 25.85893 31.86295 
1 1 1  -22   30    8 o  114.070   15.898   46.747   12.210   51.951   24.756   45.074   14.036  116.245   30.418  111.155   18.923 5.089775 35.82342 
1 1 1  -22   30    9 o  177.714   10.476  110.804   12.829  116.341   25.977  109.018   14.753  178.379   21.472  175.847   12.197 2.532104 24.69495 
1 1 1  -22   30   10 o  113.081   17.551   46.765   13.291   37.985   26.604   49.685   15.343   99.296   33.066  115.818   19.855 -16.52213 38.56973 
1 1 1  -22   30   11 o   56.485   21.547   8.8664   11.706   42.824   25.278  -0.4035   13.207  103.059   32.044   48.822   21.160 54.23674 38.39965 
1 1 1  -22   30   12 o  117.630   15.602   50.565   12.389   63.561   28.818   47.618   13.722  122.470   33.176  113.073   18.148 9.396957 37.81523 
1 1 1  -22   30   13 o  106.114   19.345   42.895   13.684   0.0000   0.0000   42.895   13.684  ?   ?   106.114   19.345 0.000000 19.34488 
1 1 1  -22   30   14 o  141.225   15.374   73.649   14.784   0.0000   0.0000   73.649   14.784  ?   ?   141.225   15.374 0.000000 15.37389 
1 1 1  -22   30   15 o   78.430   22.622   25.258   12.957   2.3468   26.594   32.390   14.838   64.452   28.877   88.109   23.780 -23.65685 37.40810 
1 1 1  -22   30   16 o   90.888   22.783   34.988   14.304   42.883   25.139   31.209   17.394   92.677   32.121   83.324   26.670 9.352791 41.74971 
1 1 1  -22   32    1 o  259.686   8.9780  234.080   16.136   0.0000   0.0000  234.080   16.136  ?   ?   259.686   8.9780 0.000000 8.977960 
1 1 1  -22   32    2 o  161.234   12.840   91.105   14.210   0.0000   0.0000   91.105   14.210  ?   ?   161.234   12.840 0.000000 12.84010 
1 1 1  -22   32    3 o   86.008   19.949   27.043   11.645   14.371   23.888   30.993   13.337   78.319   30.540   91.973   21.361 -13.65345 37.26891 
1 1 1  -22   32    4 o   74.111   21.742   19.779   11.879   59.951   25.063   8.1408   13.490  126.770   29.171   59.315   23.000 67.45506 37.14762 
1 1 1  -22   32    5 o  226.280   8.7906  177.919   13.767  190.732   28.019  173.841   15.807  232.240   17.561  223.512   10.218 8.728577 20.31783 
1 1 1  -22   32    6 o   97.555   18.834   34.741   12.256   63.561   25.063   25.685   14.050  129.913   28.645   83.499   23.383 46.41409 36.97710 
1 1 1  -22   32    7 f  201.322   9.7499  141.263   13.585  144.732   27.706  140.165   15.588  200.516   20.241  199.984   11.308 0.5316620 23.18578 
1 1 1  -22   32    8 o  144.454   12.575   73.766   12.447  113.659   25.055   60.695   14.341  176.716   20.889  129.950   16.305 46.76620 26.49898 
1 1 1  -22   32    9 o  160.982   11.392   91.357   12.611  120.781   25.853   82.170   14.446  181.586   20.955  151.942   13.891 29.64336 25.14132 
1 1 1  -22   32   10 f  140.162   13.034   70.008   12.499   62.341   26.297   72.245   14.206  124.727   30.676  141.861   14.681 -17.13477 34.00786 
1 1 1  -22   32   11 o  134.477   13.639   64.941   12.518   54.634   27.116   67.732   14.112  114.655   32.617  136.794   15.161 -22.13931 35.96831 
1 1 1  -22   32   12 o  134.759   13.462   65.476   12.388  125.707   27.583   50.258   13.865  181.523   22.432  116.118   17.822 65.40570 28.65000 
1 1 1  -22   32   13 o  118.984   35.397   64.878   31.304   0.0000   0.0000   64.878   31.304  ?   ?   118.984   35.397 0.000000 35.39698 
1 1 1  -22   32   14 o   94.665   21.991   36.015   14.133   0.0000   0.0000   36.015   14.133  ?   ?    94.665   21.991 0.000000 21.99069 
1 1 1  -22   32   15 f   48.145   20.897   1.5133   12.919 -28.8878   26.383   11.102   14.817   50.417   24.430   59.838   23.830 -9.421535 34.12783 
1 1 1  -22   32   16 f   53.400   21.910   7.7521   12.954   1.5239   27.709   9.4940   14.654   62.260   28.516   56.823   23.307 5.436695 36.82879 
1 1 1  -22   34    1 o  201.627   9.2672  141.227   12.932  130.146   25.276  145.156   15.052  191.399   19.346  204.006   10.697 -12.60783 22.10666 
1 1 1  -22   34    2 o  230.108   10.978  184.272   17.484   0.0000   0.0000  184.272   17.484  ?   ?   230.108   10.978 0.000000 10.97835 
1 1 1  -22   34    3 o  171.010   11.746  102.378   13.818   0.0000   0.0000  102.378   13.818  ?   ?   171.010   11.746 0.000000 11.74578 
1 1 1  -22   34    4 o  244.749   8.3764  208.113   14.189  199.561   32.517  210.124   15.770  236.693   20.038  245.820   9.2689 -9.127258 22.07750 
1 1 1  -22   34    5 f  224.913   12.773  177.443   19.801  142.732   27.472  214.976   28.567  199.560   20.167  246.458   16.848 -46.89786 26.27838 
1 1 1  -22   34    6 o  230.348   10.632  185.170   16.949  188.195   27.488  183.314   21.529  230.001   17.397  228.169   13.697 1.831970 22.14132 
1 1 1  -22   34    7 o   97.211   18.254   34.661   11.830   47.673   23.357   30.171   13.720  111.160   29.765   89.747   22.209 21.41308 37.13778 
1 1 1  -22   34    8 o  162.633   11.464   93.197   12.821  117.073   26.343   85.786   14.677  178.546   21.768  155.372   13.791 23.17424 25.76956 
1 1 1  -22   34    9 o   46.870   20.527  -1.8110   12.708   0.6722   24.119  -2.7653   14.952   65.680   28.531   50.101   22.094 15.57853 36.08503 
1 1 1  -22   34   10 o   78.005   21.522   23.159   11.998  -6.7561   25.323   31.818   13.624   62.132   27.980   91.171   21.871 -29.03904 35.51386 
1 1 1  -22   34   11 o   97.770   18.507   35.930   12.065   23.849   26.769   39.010   13.515   83.787   32.424  101.373   19.973 -17.58650 38.08229 
1 1 1  -22   34   12 o   34.703   16.686 -15.7768   11.741 -82.4390   27.344  -0.7071   13.001   40.213   20.319   47.546   20.794 -7.333359 29.07351 
1 1 1  -22   34   13 o   90.580   22.256   32.791   13.853   0.0000   0.0000   32.791   13.853  ?   ?    90.580   22.256 0.000000 22.25649 
1 1 1  -22   34   14 o   93.367   23.108   35.837   14.852   0.0000   0.0000   35.837   14.852  ?   ?    93.367   23.108 0.000000 23.10774 
1 1 1  -22   34   15 o   80.924   23.343   27.781   13.796   48.702   27.497   20.742   15.949   98.032   33.615   70.932   25.496 27.09977 42.18998 
1 1 1  -22   34   16 o   94.904   20.382   37.549   12.988   31.985   27.104   39.208   14.798   79.534   32.037   94.993   22.798 -15.45952 39.32054 
1 1 1  -22   36    1 o  399.631   7.6429  554.460   21.139  494.146   34.312  591.359   26.838  376.071   13.182  412.372   9.4033 -36.30081 16.19258 
1 1 1  -22   36    2 o  163.029   10.916   93.015   12.246   78.829   24.702   97.638   14.100  146.381   25.297  166.802   12.301 -20.42111 28.12928 
1 1 1  -22   36    3 o  220.737   9.4511  169.551   14.439  175.854   29.035  167.481   16.643  222.168   19.067  218.898   11.021 3.270370 22.02290 
1 1 1  -22   36    4 o  161.049   13.166   91.403   14.547   0.0000   0.0000   91.403   14.547  ?   ?   161.049   13.166 0.000000 13.16608 
1 1 1  -22   36    5 o   51.444   21.863   0.9490   13.587   0.0000   0.0000   0.9490   13.587  ?   ?    51.444   21.863 0.000000 21.86287 
1 1 1  -22   36    6 o   69.650   22.251   17.304   12.111   8.6341   25.472   19.837   13.767   73.773   30.542   74.291   23.722 -0.5182648 38.67225 
1 1 1  -22   36    7 f  108.275   16.692   42.583   12.107   27.410   23.460   48.091   14.135   88.102   31.000  114.658   18.436 -26.55550 36.06836 
1 1 1  -22   36    8 o  159.661   11.702   90.066   12.841   72.195   25.026   96.452   14.960  136.674   27.410  164.792   13.228 -28.11848 30.43512 
1 1 1  -22   36    9 o   72.771   22.402   19.757   12.389   27.361   25.955   17.514   14.099   87.860   32.384   70.314   24.071 17.54609 40.35021 
1 1 1  -22   36   10 o   48.319   20.620   1.2100   12.178  -0.2784   25.555   1.6472   13.851   65.720   28.938   51.541   21.993 14.17876 36.34692 
1 1 1  -22   36   11 o   63.771   22.046   14.494   11.838  -9.1854   25.568   20.956   13.356   60.094   27.475   73.921   23.340 -13.82681 36.05060 
1 1 1  -22   36   12 o   47.393   22.116 -12.4331   17.854   3.7166   29.276 -21.9960   22.528   69.844   30.852   49.704   23.686 20.13961 38.89561 
1 1 1  -22   36   13 o  154.715   13.938   87.538   14.764   0.0000   0.0000   87.538   14.764  ?   ?   154.715   13.938 0.000000 13.93773 
1 1 1  -22   36   14 o   76.704   24.728   24.622   14.932   0.0000   0.0000   24.622   14.932  ?   ?    76.704   24.728 0.000000 24.72812 
1 1 1  -22   36   15 o   39.586   18.387  -7.0615   12.114 -15.1902   24.639  -4.4702   13.911   52.502   24.948   44.375   20.279 8.127552 32.15083 
1 1 1  -22   38    1 o  229.781   9.2426  183.782   14.699  128.342   26.637  208.057   17.626  188.795   20.726  244.292   10.425 -55.49712 23.20002 
1 1 1  -22   38    2 o   70.870   21.546   18.105   11.506   8.5415   23.160   21.240   13.258   71.671   29.338   76.464   23.102 -4.793579 37.34155 
1 1 1  -22   38    3 o  195.229   9.2319  132.746   12.474  117.073   25.702  137.575   14.267  179.849   21.046  198.305   10.432 -18.45645 23.48950 
1 1 1  -22   38    4 o  119.531   14.517   50.995   11.763   39.761   25.344   54.079   13.280  102.547   32.118  122.755   16.012 -20.20810 35.88862 
1 1 1  -22   38    5 o  219.350   13.343  169.782   20.161   0.0000   0.0000  169.782   20.161  ?   ?   219.350   13.343 0.000000 13.34343 
1 1 1  -22   38    6 o   74.540   23.741   20.185   13.796   0.0000   0.0000   20.185   13.796  ?   ?    74.540   23.741 0.000000 23.74113 
1 1 1  -22   38    7 o  119.068   17.770   51.810   14.195   0.0000   0.0000   51.810   14.195  ?   ?   119.068   17.770 0.000000 17.76951 
1 1 1  -22   38    8 o   76.690   23.152   22.141   13.319   26.590   28.604   20.909   15.051   88.748   33.724   75.491   24.858 13.25768 41.89526 
1 1 1  -22   38    9 o  137.706   13.725   68.081   12.906   96.488   27.593   60.125   14.602  157.572   26.223  128.148   16.874 29.42432 31.18274 
1 1 1  -22   38   10 o  119.918   15.552   52.594   12.604   32.000   27.161   58.245   14.228   90.740   33.175  125.764   16.764 -35.02367 37.17028 
1 1 1  -22   38   11 f  178.829   11.029  113.789   13.584  143.317   29.885  106.099   15.251  192.658   22.858  171.782   12.922 20.87549 26.25813 
1 1 1  -22   38   12 o  123.224   17.049   56.979   14.150   0.0000   0.0000   56.979   14.150  ?   ?   123.224   17.049 0.000000 17.04853 
1 1 1  -22   38   13 o  144.486   14.979   77.410   14.761   0.0000   0.0000   77.410   14.761  ?   ?   144.486   14.979 0.000000 14.97888 
1 1 1  -22   38   14 o   63.762   24.455   14.780   15.129   0.0000   0.0000   14.780   15.129  ?   ?    63.762   24.455 0.000000 24.45510 
1 1 1  -22   38   15 o   99.195   18.955   39.847   12.539   31.449   23.335   43.257   14.868   80.113   30.456  101.058   21.890 -20.94469 37.50670 
1 1 1  -22   40    1 o   51.003   20.489   4.7585   11.053   30.459   22.852  -3.0901   12.629   91.742   30.649   45.981   20.289 45.76127 36.75608 
1 1 1  -22   40    2 o  232.109   8.2347  187.515   13.229  168.098   26.711  193.825   15.227  216.750   17.968  235.790   9.3308 -19.03941 20.24610 
1 1 1  -22   40    3 o  276.196   7.5197  265.328   14.375  249.122   29.556  270.349   16.451  264.738   16.209  278.595   8.5320 -13.85690 18.31738 
1 1 1  -22   40    4 o  187.708   9.6468  123.338   12.490  112.829   25.088  126.800   14.402  175.773   21.041  190.009   10.998 -14.23642 23.74190 
1 1 1  -22   40    5 o  165.087   10.805   95.861   12.277   99.220   25.118   94.807   14.073  163.616   22.801  163.723   12.514 -0.1076355 26.00926 
1 1 1  -22   40    6 o   79.789   21.471   24.007   12.118   10.483   25.754   27.853   13.733   74.426   30.753   85.637   22.775 -11.21086 38.26848 
1 1 1  -22   40    7 o   80.565   25.093   24.514   15.493   0.0000   0.0000   24.514   15.493  ?   ?    80.565   25.093 0.000000 25.09268 
1 1 1  -22   40    8 o  162.529   13.275   94.353   14.802   0.0000   0.0000   94.353   14.802  ?   ?   162.529   13.275 0.000000 13.27474 
1 1 1  -22   40    9 o   51.524   22.015   1.6783   13.913   0.0000   0.0000   1.6783   13.913  ?   ?    51.524   22.015 0.000000 22.01540 
1 1 1  -22   40   10 o  165.058   13.008   97.896   14.739   0.0000   0.0000   97.896   14.739  ?   ?   165.058   13.008 0.000000 13.00769 
1 1 1  -22   40   11 o  103.399   28.054   45.051   20.587   0.0000   0.0000   45.051   20.587  ?   ?   103.399   28.054 0.000000 28.05356 
1 1 1  -22   40   12 o   62.708   23.104   13.902   13.209   0.0000   0.0000   13.902   13.209  ?   ?    62.708   23.104 0.000000 23.10364 
1 1 1  -22   40   13 o   79.127   23.349   26.080   13.665   0.0000   0.0000   26.080   13.665  ?   ?    79.127   23.349 0.000000 23.34948 
1 1 1  -22   40   14 o   38.933   18.389 -10.7176   13.006   0.0000   0.0000 -10.7176   13.006  ?   ?    38.933   18.389 0.000000 18.38883 
1 1 1  -22   42    1 o   53.126   20.520   7.0060   10.706   10.420   22.382   5.9933   12.191   71.501   29.003   54.140   21.598 17.36087 36.16140 
1 1 1  -22   42    2 o  211.451   8.8214  155.934   12.910  118.195   26.537  167.635   14.776  179.454   21.815  219.053   9.7463 -39.59937 23.89287 
1 1 1  -22   42    3 o  240.333   8.0419  201.238   13.377  173.317   27.323  210.040   15.341  219.357   18.160  245.315   9.0355 -25.95877 20.28393 
1 1 1  -22   42    4 o  193.946   11.754  132.640   15.703  155.268   25.560  118.922   19.902  207.410   17.984  182.170   15.945 25.23984 24.03464 
1 1 1  -22   42    5 o  178.778   10.423  112.424   12.841   77.561   25.153  124.713   14.933  141.966   26.576  187.993   11.533 -46.02690 28.97097 
1 1 1  -22   42    6 o  177.271   10.558  110.732   12.895  119.122   26.945  108.240   14.686  178.639   22.278  174.729   12.221 3.909851 25.40937 
1 1 1  -22   42    7 o   77.304   22.818   22.783   13.049 -50.7805   24.008   53.625   15.545   43.173   21.390  119.932   19.389 -76.75882 28.86977 
1 1 1  -22   42    8 o  107.652   20.669   44.096   14.840   0.0000   0.0000   44.096   14.840  ?   ?   107.652   20.669 0.000000 20.66857 
1 1 1  -22   42    9 o  116.106   18.663   50.677   14.489   0.0000   0.0000   50.677   14.489  ?   ?   116.106   18.663 0.000000 18.66263 
1 1 1  -22   42   10 o   50.886   23.005  -5.1871   17.314   0.0000   0.0000  -5.1871   17.314  ?   ?    50.886   23.005 0.000000 23.00535 
1 1 1  -22   42   11 o   50.014   21.390   2.3607   13.156   0.0000   0.0000   2.3607   13.156  ?   ?    50.014   21.390 0.000000 21.39023 
1 1 1  -22   42   12 o   66.407   23.083   17.066   12.987   0.0000   0.0000   17.066   12.987  ?   ?    66.407   23.083 0.000000 23.08286 
1 1 1  -22   42   13 o   90.203   24.243   34.917   15.460   0.0000   0.0000   34.917   15.460  ?   ?    90.203   24.243 0.000000 24.24265 
1 1 1  -22   42   14 o  104.288   17.075   42.817   11.898   50.732   18.413   37.144   15.590  106.306   25.377   91.418   24.243 14.88731 35.09633 
1 1 1  -22   44    1 o  124.075   13.822   55.060   11.668   22.307   23.836   65.381   13.380   82.770   30.930  135.108   14.538 -52.33783 34.17622 
1 1 1  -22   44    2 o   92.695   18.723   31.949   11.598   17.010   23.931   36.536   13.260   77.953   30.520   98.854   20.066 -20.90077 36.52585 
1 1 1  -22   44    3 o   97.884   22.185   36.384   14.682   21.420   23.389   46.117   18.862   81.340   30.591  109.265   25.420 -27.92418 39.77418 
1 1 1  -22   44    4 o  186.321   9.7690  121.936   12.554  129.805   24.947  119.267   14.527  188.294   19.421  183.750   11.480 4.544479 22.56094 
1 1 1  -22   44    5 o   67.230   21.762   16.452   11.557   27.102   22.917   12.820   13.383   86.006   30.599   63.456   23.274 22.55003 38.44456 
1 1 1  -22   44    6 o  192.960   10.545  131.383   14.029   74.049   25.257  156.965   16.871  136.769   27.633  210.534   11.623 -73.76497 29.97762 
1 1 1  -22   44    7 o  130.084   13.970   61.083   12.380   31.029   24.074   71.888   14.435   89.251   31.404  140.788   15.048 -51.53671 34.82305 
1 1 1  -22   44    8 o  139.402   18.541   72.532   17.445   88.390   24.618   56.537   24.725  150.327   24.505  116.056   30.413 34.27118 39.05757 
1 1 1  -22   44    9 o  107.628   18.009   43.718   12.941 -39.1122   28.106   66.002   14.578   50.928   24.801  133.726   16.073 -82.79765 29.55411 
1 1 1  -22   44   10 o   51.926   21.685   4.4635   13.000 -60.8781   27.291   23.642   14.785   43.928   21.933   76.794   24.590 -32.86559 32.95061 
1 1 1  -22   44   11 o   62.857   23.268   14.065   13.426   0.0000   0.0000   14.065   13.426  ?   ?    62.857   23.268 0.000000 23.26762 
1 1 1  -22   44   12 o   69.467   24.095   19.480   14.147   0.0000   0.0000   19.480   14.147  ?   ?    69.467   24.095 0.000000 24.09463 
1 1 1  -22   44   13 o   46.303   20.002   2.1576   11.722  -4.9561   18.266   7.1392   15.286   50.044   23.006   55.355   23.339 -5.311031 32.77154 
1 1 1  -22   46    1 o  109.197   17.386   43.836   12.699   21.312   21.969   55.138   15.562   79.906   29.727  122.090   19.038 -42.18445 35.30016 
1 1 1  -22   46    2 o   75.342   20.644   21.458   11.084 -23.8780   23.221   34.835   12.614   51.163   24.285   96.320   19.588 -45.15742 31.20020 
1 1 1  -22   46    3 f   59.184   23.589   8.1049   14.531   18.946   22.593   0.4567   18.976   77.808   29.875   58.433   25.345 19.37537 39.17701 
1 1 1  -22   46    4 o  156.734   11.161   86.989   12.028   60.878   23.510   96.247   13.999  123.573   28.121  164.479   12.388 -40.90533 30.72880 
1 1 1  -22   46    5 o   63.316   21.780   14.078   11.547 -12.7805   23.252   22.870   13.304   55.895   25.790   77.251   23.097 -21.35565 34.62121 
1 1 1  -22   46    6 o   88.165   20.013   29.746   11.933   20.883   22.456   33.233   14.086   78.457   29.865   92.450   22.277 -13.99279 37.25782 
1 1 1  -22   46    7 o   43.736   19.423  -2.6039   11.757  -0.1018   22.367  -3.5591   13.820   61.348   27.040   46.728   20.885 14.61977 34.16597 
1 1 1  -22   46    8 o   66.284   21.815   16.512   11.592 -27.4634   23.589   30.514   13.310   49.103   23.620   87.961   21.938 -38.85757 32.23646 
1 1 1  -22   46    9 o   67.261   27.054   13.205   19.298   28.517   24.366 -12.5610   31.607   84.094   31.302   63.598   29.594 20.49534 43.07680 
1 1 1  -22   46   10 o   57.949   21.877   11.048   11.987   56.780   24.183  -3.8475   13.802  112.857   30.316   45.683   20.607 67.17468 36.65640 
1 1 1  -22   46   11 o   94.792   16.444   34.357   10.397   44.773   14.242   22.469   15.214  106.220   20.108   73.823   25.006 32.39702 32.08820 
1 1 1  -22   46   12 o   44.533   19.098   2.0349   10.539 -19.7856   15.074   22.898   14.739   38.060   18.449   73.302   24.614 -35.24237 30.76016 
1 1 1  -22   48    1 o  120.782   13.761   52.548   11.298   53.707   22.252   52.145   13.114  115.766   28.064  119.395   16.295 -3.628769 32.45217 
1 1 1  -22   48    2 o   58.165   24.785   2.9920   17.547  -8.2195   21.674   24.317   29.891   56.246   25.552   86.409   34.024 -30.16339 42.55095 
1 1 1  -22   48    3 o  123.792   13.910   55.298   11.712   53.659   22.939   55.876   13.621  114.968   28.870  123.515   16.334 -8.546532 33.17026 
1 1 1  -22   48    4 o  149.824   11.746   79.943   12.082   74.244   23.909   81.898   14.001  137.124   26.147  150.962   13.545 -13.83788 29.44689 
1 1 1  -22   48    5 o   51.164   21.301   3.7785   12.490   38.220   23.057 -10.5262   14.860   96.228   30.697   43.885   20.378 52.34298 36.84469 
1 1 1  -22   48    6 o  204.844   9.2832  147.648   13.161  115.561   25.323  159.523   15.405  174.138   21.465  212.443   10.477 -38.30449 23.88589 
1 1 1  -22   48    7 o  177.969   10.548  112.567   12.935   83.805   24.534  123.640   15.222  144.638   25.436  185.893   11.894 -41.25526 28.07971 
1 1 1  -22   48    8 o   59.489   21.714   12.120   11.629   19.507   23.771   9.7960   13.333   75.823   30.187   58.177   22.780 17.64601 37.81788 
1 1 1  -22   48    9 o   41.515   18.835  -4.5136   11.728   8.7756   23.290  -9.0279   13.574   66.389   28.428   41.772   19.423 24.61685 34.43009 
1 1 1  -22   48   10 o   59.195   22.427   11.913   12.626   15.985   23.841   10.325   14.885   71.094   29.500   59.371   23.803 11.72222 37.90549 
1 1 1  -22   48   11 o  116.645   16.938   52.390   13.274   41.112   24.719   56.961   15.736   91.898   31.851  119.699   19.678 -27.80136 37.43948 
1 1 1  -22   48   12 o   68.525   20.954   19.678   10.861   16.303   14.709   23.723   16.103   64.010   24.217   73.132   25.688 -9.122086 35.30333 
1 1 1  -22   50    1 o   53.821   20.932   7.6696   11.199   8.1122   22.052   7.5158   13.000   67.105   28.149   56.027   22.318 11.07801 35.92278 
1 1 1  -22   50    2 o   59.015   23.446   8.7677   14.312   23.898   22.704  -1.2084   18.436   81.235   30.220   55.774   24.568 25.46139 38.94610 
1 1 1  -22   50    3 o  127.969   15.028   59.722   13.057   44.717   22.028   67.849   16.212  103.824   29.350  135.202   17.754 -31.37797 34.30163 
1 1 1  -22   50    4 o  113.730   15.434   47.540   11.835   52.146   23.791   46.025   13.643  111.261   30.145  110.529   18.487 0.7318802 35.36287 
1 1 1  -22   50    5 o  183.429   9.9885  119.148   12.633  113.512   24.883  121.105   14.663  172.320   21.319  184.229   11.559 -11.90936 24.25051 
1 1 1  -22   50    6 o  144.777   12.464   75.514   12.367   47.663   23.122   86.674   14.637  105.186   30.184  154.489   13.836 -49.30242 33.20432 
1 1 1  -22   50    7 o   64.171   23.728   14.376   13.955   0.0000   0.0000   14.376   13.955  ?   ?    64.171   23.728 0.000000 23.72750 
1 1 1  -22   50    8 o   49.880   21.892   0.0839   14.523   39.229   22.867 -26.3760   18.801   93.856   30.628   42.049   20.433 51.80724 36.81791 
1 1 1  -22   50    9 o  102.887   15.405   39.841   10.632   38.524   14.406   41.416   15.757   97.382   21.904  100.215   23.179 -2.833496 31.89161 
1 1 1  -22   50   10 o   69.272   22.176   19.646   12.026   31.272   14.403  -7.1171   21.852   85.839   23.538   53.799   24.886 32.04053 34.25406 
1 1 1  -22   50   11 f   87.952   18.579   31.144   10.955   34.491   15.030   27.350   16.001   88.760   23.924   78.148   25.626 10.61145 35.05783 
1 1 1  -22   52    1 o   49.105   21.636  -1.4067   14.309   14.151   23.397 -10.7030   18.085   72.314   29.531   48.901   22.627 23.41266 37.20310 
1 1 1  -22   52    2 o  138.413   12.557   68.933   11.898   75.805   24.149   66.730   13.673  137.035   26.420  135.148   14.863 1.887344 30.31383 
1 1 1  -22   52    3 o   94.531   18.125   33.956   11.427   53.024   22.518   27.342   13.262  112.309   28.824   83.074   22.506 29.23489 36.57004 
1 1 1  -22   52    4 o   61.677   23.386   12.209   13.737  -8.3805   21.943   25.478   17.615   55.285   25.341   79.903   26.908 -24.61724 36.96228 
1 1 1  -22   52    5 o   48.872   21.014   1.5336   12.820 -25.2049   22.293   14.744   15.670   47.864   23.009   65.994   24.989 -18.13058 33.96847 
1 1 1  -22   52    6 o   65.944   21.975   16.649   11.750   11.659   22.561   18.507   13.763   68.241   28.538   69.300   23.781 -1.059097 37.14785 
1 1 1  -22   52    7 o   54.399   22.319   6.7017   13.442   13.829   22.825   2.9170   16.633   69.521   28.857   54.956   23.782 14.56467 37.39437 
1 1 1  -22   52    8 o   46.439   20.359   0.0895   12.528   34.854   22.466 -15.6001   15.093   87.914   30.371   40.469   19.313 47.44585 35.99147 
1 1 1  -22   52    9 o  111.870   14.007   46.685   10.608   31.509   14.492   64.203   15.570   86.136   23.607  128.653   17.977 -42.51725 29.67233 
1 1 1  -22   52   10 o   56.851   21.967   11.219   12.272   35.195   22.414   0.9528   14.666   85.089   30.263   49.347   21.815 35.74129 37.30602 
1 1 1  -22   54    1 o   41.227   18.619  -4.1720   11.307 -42.1659   23.426   7.3681   12.911   43.827   21.605   55.009   22.128 -11.18255 30.92623 
1 1 1  -22   54    2 o  164.795   10.683   96.848   12.119   68.000   24.525  106.170   13.941  126.805   28.623  172.033   11.779 -45.22761 30.95185 
1 1 1  -22   54    3 o   90.277   18.548   31.420   11.201   29.859   21.869   31.976   13.042   84.783   29.921   89.788   21.307 -5.005203 36.73209 
1 1 1  -22   54    4 o   65.058   21.287   16.226   11.044   16.595   20.822   16.081   13.027   71.048   28.263   65.661   23.101 5.387085 36.50309 
1 1 1  -22   54    5 o   93.102   20.645   34.383   12.954   20.556   20.618   43.402   16.651   74.219   28.529  102.892   23.848 -28.67310 37.18365 
1 1 1  -22   54    6 o   73.512   23.371   21.945   13.374   15.483   23.244   25.142   16.351   70.740   29.222   77.783   25.924 -7.042084 39.06374 
1 1 1  -22   54    7 o   57.959   22.905   10.293   13.592   5.2049   22.182   13.351   17.199   61.888   27.112   64.158   25.634 -2.269524 37.31166 
1 1 1  -22   54    8 o   50.236   19.704   7.4229   9.9883 -14.8031   13.645   33.084   14.661   38.048   18.214   88.180   23.570 -50.13274 29.78725 
1 1 1  -22   54    9 o  137.540   12.242   69.654   11.532   76.706   16.200   62.410   16.419  140.655   16.985  124.507   19.710 16.14848 26.01827 
1 1 1  -22   56    1 o   60.352   22.890   12.079   13.161   0.0000   0.0000   12.079   13.161  ?   ?    60.352   22.890 0.000000 22.88964 
1 1 1  -22   56    2 o   50.315   20.482   5.6072   11.210 -20.4537   22.278   14.444   12.972   49.276   23.502   63.180   22.953 -13.90375 32.85104 
1 1 1  -22   56    3 o  105.846   16.884   42.552   11.953   33.112   21.498   46.776   14.381   87.099   29.724  109.412   19.717 -22.31312 35.66876 
1 1 1  -22   56    4 o  114.266   14.918   48.671   11.517   62.146   21.891   43.514   13.542  120.595   26.911  105.538   19.249 15.05698 33.08645 
1 1 1  -22   56    5 o   71.973   21.713   20.999   11.718 -30.0390   22.710   39.520   13.680   45.811   22.306   99.414   20.561 -53.60331 30.33633 
1 1 1  -22   56    6 o   45.212   21.227 -11.4315   16.869 -29.6488   22.061   14.215   26.176   44.841   21.867   70.392   30.140 -25.55138 37.23688 
1 1 1  -22   56    7 f   36.575   17.153  -8.4876   10.966 -18.4363   13.484   10.946   18.846   35.926   17.422   62.254   26.063 -26.32882 31.34973 
1 1 1  -22   56    8 o   61.075   20.541   15.006   10.265   40.426   14.454 -10.8606   14.581   97.928   21.877   41.306   19.498 56.62185 29.30477 
1 1 1  -22   58    1 o   48.256   20.104   4.1748   11.135 -17.4927   21.890   11.739   12.934   49.537   23.532   59.192   22.633 -9.655495 32.65009 
1 1 1  -22   58    2 o  161.833   14.006   96.579   15.533   0.0000   0.0000   96.579   15.533  ?   ?   161.833   14.006 0.000000 14.00625 
1 1 1  -22   58    3 o   88.425   18.465   30.764   10.936   5.0049   22.532   38.701   12.508   61.942   27.226   99.185   18.911 -37.24276 33.14916 
1 1 1  -22   58    4 o   64.954   21.159   16.830   10.915   26.537   21.819   13.590   12.606   78.436   29.537   60.896   22.545 17.54028 37.15759 
1 1 1  -22   58    5 o   58.804   21.336   12.883   11.204   17.824   22.103   11.174   12.997   70.107   28.675   57.867   22.538 12.23934 36.47184 
1 1 1  -22   58    6 o   49.130   20.089   5.9597   10.845 -10.1220   20.452   12.250   12.791   50.007   23.444   58.600   22.483 -8.592529 32.48280 
1 1 1  -22   60    1 o   55.460   21.029   10.517   11.107   45.259   21.531  -2.0805   12.965   98.249   29.385   44.874   20.130 53.37495 35.61890 
1 1 1  -22   60    2 o   35.966   16.931  -9.0931   10.860   38.766   22.446 -23.7219   12.410   90.008   30.374   31.718   15.653 58.28961 34.16968 
1 1 1  -22   60    3 o   99.422   19.676   39.877   13.060   0.0000   0.0000   39.877   13.060  ?   ?    99.422   19.676 0.000000 19.67620 
1 1 1  -22   60    4 o   56.065   22.033   10.413   12.511   0.0000   0.0000   10.413   12.511  ?   ?    56.065   22.033 0.000000 22.03259 
1 1 1  -21    1    1 o   59.668   19.406   11.945   9.1833   24.180   13.410   1.1412   12.602   82.085   22.794   50.589   21.253 31.49567 31.16474 
1 1 1  -21    1    2 o  515.449   5.6287  919.834   20.080  912.490   28.299  927.281   28.498  513.274   7.9660  517.418   7.9580 -4.143616 11.25997 
1 1 1  -21    1    3 o  1107.35   8.2108  4247.29   62.929  4262.28   89.199  4232.44   88.791  1108.81   11.623  1104.92   11.611 3.885864 16.42895 
1 1 1  -21    1    4 o  799.181   6.6499  2211.51   36.782  2214.40   52.115  2208.64   51.922  799.470   9.4185  798.432   9.3959 1.037781 13.30374 
1 1 1  -21    1    5 o  679.310   6.2277  1597.74   29.280  1610.26   41.612  1585.47   41.208  681.789   8.8185  676.521   8.8007 5.268127 12.45868 
1 1 1  -21    1    6 o  650.713   8.6733  1466.88   39.061  1477.56   55.759  1456.58   54.737  652.717   12.343  648.084   12.203 4.633789 17.35699 
1 1 1  -21    1    7 o  245.895   8.5420  209.495   14.537  210.725   20.491  208.249   20.627  246.469   12.012  245.010   12.164 1.459335 17.09565 
1 1 1  -21    1    8 o  265.454   8.4524  244.197   15.529  252.205   21.982  236.220   21.940  269.591   11.781  260.885   12.151 8.706177 16.92480 
1 1 1  -21    1    9 o  455.544   9.6296  719.729   30.361  719.729   30.361   0.0000   0.0000  455.544   9.6296  ?   ?  0.000000 9.629581 
1 1 1  -21    1   10 o  169.506   16.101  101.067   18.662  126.551   22.260   40.790   34.235  189.661   17.143  109.970   37.509 79.69144 41.24126 
1 1 1  -21    1   11 o  392.740   8.9176  535.411   24.240  570.244   45.434  521.551   28.659  403.881   16.253  387.364   10.690 16.51718 19.45375 
1 1 1  -21    1   12 o  119.805   20.002   52.042   16.001   18.116   22.699   85.549   22.559   80.074   30.132  153.818   21.800 -73.74410 37.19120 
1 1 1  -21    1   13 o  103.790   19.144   39.450   13.245   53.122   30.442   36.258   14.710  117.096   34.922   98.690   22.088 18.40631 41.32100 
1 1 1  -21    1   14 o   93.544   17.297   32.112   10.786   35.118   15.082   28.964   15.432   96.369   22.942   87.479   24.509 8.890274 33.57121 
1 1 1  -21    1   15 o  106.775   27.654   44.976   20.599   12.259   29.861   74.683   28.454   78.831   32.888  136.402   30.861 -57.57085 45.09980 
1 1 1  -21    1   16 f   59.208   20.485   12.148   10.222   13.416   14.078   10.734   14.867   64.352   23.825   61.987   24.115 2.365147 33.89905 
1 1 1  -21    1   17 o   49.436   19.742   5.6755   10.195  -3.0986   14.690   13.827   14.159   48.277   21.558   64.135   23.864 -15.85774 32.15955 
1 1 1  -21    1   18 o  155.850   13.022   88.384   13.918   91.902   19.770   84.927   19.597  154.987   18.816  148.375   19.560 6.611786 27.14087 
1 1 1  -21    1   19 o   68.625   21.516   19.299   11.370   8.8493   16.121   29.642   16.038   58.260   24.223   82.263   25.515 -24.00251 35.18189 
1 1 1  -21    3    1 f  315.415   5.8700  344.450   12.814  327.551   18.285  360.762   17.964  307.495   8.5915  322.728   8.0425 -15.23352 11.76842 
1 1 1  -21    3    2 f  693.102   6.1202  1663.28   29.359  1637.41   40.841  1690.94   42.233  687.521   8.5830  698.655   8.7340 -11.13422 12.24540 
1 1 1  -21    3    3 o  630.457   5.9517  1376.14   25.970  1369.04   36.613  1383.33   36.843  628.680   8.4145  631.951   8.4235 -3.271240 11.90625 
1 1 1  -21    3    4 o  599.406   5.9507  1243.92   24.687  1222.49   34.518  1266.35   35.321  594.086   8.3949  604.645   8.4403 -10.55945 11.90433 
1 1 1  -21    3    5 o  477.431   5.8944  789.171   19.477  793.639   27.800  784.863   27.297  478.667   8.3914  476.019   8.2853 2.648376 11.79249 
1 1 1  -21    3    6 o  495.816   8.3130  851.571   28.527  858.049   40.783  845.366   39.918  497.442   11.846  493.766   11.681 3.676239 16.63604 
1 1 1  -21    3    7 o  329.284   8.0685  375.634   18.388  395.522   23.117  341.366   30.343  337.797   9.8876  313.563   13.982 24.23419 17.12470 
1 1 1  -21    3    8 o  489.810   9.1696  831.639   31.085   0.0000   0.0000  831.639   31.085  ?   ?   489.810   9.1696 0.000000 9.169617 
1 1 1  -21    3    9 o  226.607   10.039  178.134   15.746  153.510   21.678  205.634   22.909  209.515   15.050  242.838   13.686 -33.32306 20.34208 
1 1 1  -21    3   10 o  297.149   10.195  306.500   20.967  289.380   25.400  343.122   37.148  288.485   12.721  313.053   17.211 -24.56812 21.40242 
1 1 1  -21    3   11 o  181.448   15.545  115.826   19.333   99.805   38.863  121.094   22.286  163.007   35.457  185.141   17.604 -22.13390 39.58619 
1 1 1  -21    3   12 o  238.775   10.671  198.557   17.635  205.589   24.879  191.457   25.001  241.787   14.940  233.132   15.584 8.655029 21.58902 
1 1 1  -21    3   13 o  152.359   12.878   81.927   13.453  118.634   31.734   73.885   14.853  178.733   26.452  144.091   15.119 34.64238 30.46808 
1 1 1  -21    3   14 o   70.154   24.695   16.490   14.888   0.0000   0.0000   16.490   14.888  ?   ?    70.154   24.695 0.000000 24.69507 
1 1 1  -21    3   15 o   42.909   18.584  -0.6000   10.174  -0.6300   14.796  -0.5731   14.012   51.397   22.336   50.128   21.760 1.268761 31.18378 
1 1 1  -21    3   16 o   43.472   19.730  -5.8460   12.881 -19.4049   29.915  -2.7598   14.272   60.870   28.478   48.347   21.439 12.52259 35.64620 
1 1 1  -21    3   17 o   81.104   19.667   25.524   10.926   20.281   15.360   30.894   15.544   72.946   25.117   87.451   24.631 -14.50430 35.17943 
1 1 1  -21    3   18 o  102.751   16.300   39.876   11.205   45.409   16.159   34.752   15.551  105.946   22.719   91.575   24.179 14.37057 33.17758 
1 1 1  -21    3   19 f   41.539   18.989  -4.7811   12.207 -11.1707   19.318  -0.5345   15.749   48.466   22.742   50.097   22.350 -1.631527 31.88582 
1 1 1  -21    5    1 o  593.987   5.7247  1221.52   23.535  1195.22   32.853  1249.24   33.731  587.425   8.0806  600.550   8.1153 -13.12579 11.45222 
1 1 1  -21    5    2 o  791.492   6.5497  2169.17   35.879  2103.85   49.455  2241.75   52.134  779.266   9.1695  804.380   9.3644 -25.11420 13.10616 
1 1 1  -21    5    3 o  305.513   6.2577  323.171   13.232  298.411   18.040  352.003   19.467  293.499   8.8808  318.769   8.8236 -25.26947 12.51895 
1 1 1  -21    5    4 o  266.129   6.9943  245.250   12.883  233.980   18.190  256.593   18.249  259.852   10.114  272.134   9.6888 -12.28229 14.00591 
1 1 1  -21    5    5 o  469.641   6.7319  763.738   21.882  809.756   37.970  740.857   26.775  483.311   11.351  462.476   8.3648 20.83548 14.10034 
1 1 1  -21    5    6 o  631.919   6.2865  1382.68   27.495  1363.79   38.852  1401.63   38.914  627.400   8.9474  636.055   8.8397 -8.654663 12.57763 
1 1 1  -21    5    7 o   63.508   23.721   10.632   14.017 -10.0009   17.408   48.678   23.639   50.703   22.982  115.554   29.466 -64.85103 37.36876 
1 1 1  -21    5    8 o  373.500   7.8427  483.362   20.274  459.617   25.112  527.805   34.356  364.070   9.9661  389.894   12.731 -25.82388 16.16827 
1 1 1  -21    5    9 o  292.024   8.3677  295.615   16.912  324.444   24.202  268.101   23.643  305.705   11.438  277.827   12.296 27.87820 16.79352 
1 1 1  -21    5   10 o   47.721   22.142 -14.9334   17.495 -16.9302   21.398 -10.9073   30.384   53.374   24.667   69.613   31.051 -16.23893 39.65596 
1 1 1  -21    5   11 o  198.126   12.423  137.205   16.948   90.444   25.155  176.079   22.936  158.276   23.692  224.101   14.872 -65.82468 27.97283 
1 1 1  -21    5   12 o  273.102   8.0486  259.063   15.213  279.171   36.549  254.849   16.732  280.564   18.933  270.757   8.9286 9.807831 20.93268 
1 1 1  -21    5   13 o   97.222   19.368   34.782   12.575   47.127   29.926   32.134   13.858  110.976   34.925   92.836   21.919 18.14020 41.23291 
1 1 1  -21    5   14 o   58.571   24.917   2.1081   17.683   52.829   29.005 -27.8930   22.307  115.130   34.031   48.643   23.287 66.48648 41.23536 
1 1 1  -21    5   15 o   70.881   20.040   18.852   10.269   15.744   14.508   21.972   14.536   68.276   24.341   76.680   24.364 -8.404366 34.43958 
1 1 1  -21    5   16 o   85.208   23.007   28.341   13.886   80.049   31.431   15.801   15.478  137.298   33.396   68.358   25.036 68.94009 41.73887 
1 1 1  -21    5   17 o   41.751   18.897  -4.6567   11.720   10.145   15.470 -24.6000   17.956   61.133   24.348   41.884   20.260 19.24920 31.67473 
1 1 1  -21    5   18 o   83.588   19.519   27.564   11.087   30.011   15.592   25.061   15.769   84.777   24.920   77.964   25.433 6.812965 35.60732 
1 1 1  -21    5   19 o   47.964   20.465   3.1827   11.993   11.220   19.649  -1.5888   15.140   63.136   26.532   48.453   21.743 14.68277 34.30286 
1 1 1  -21    7    1 o  397.365   5.5849  546.653   15.360  524.871   21.313  570.192   22.156  389.284   7.9103  405.744   7.8896 -16.45959 11.17220 
1 1 1  -21    7    2 o  196.398   8.1174  133.600   11.034  127.859   15.184  140.024   16.062  191.704   11.497  200.638   11.617 -8.933395 16.34389 
1 1 1  -21    7    3 o  542.045   5.7706  1017.20   21.649  988.340   29.941  1048.82   31.338  534.185   8.0984  550.281   8.2284 -16.09503 11.54520 
1 1 1  -21    7    4 o  876.486   7.0361  2660.24   42.683  2610.44   59.555  2712.83   61.204  867.966   9.9138  884.815   9.9942 -16.84943 14.07718 
1 1 1  -21    7    5 o  496.937   6.7440  855.103   23.195  807.805   38.791  881.428   28.939  482.704   11.611  504.448   8.2887 -21.74426 14.26595 
1 1 1  -21    7    6 o  465.164   6.0786  749.205   19.570  736.011   27.603  762.540   27.749  460.918   8.6528  469.158   8.5459 -8.239716 12.16151 
1 1 1  -21    7    7 o  206.624   10.970  148.471   15.632  122.994   19.522  194.000   26.097  187.539   15.170  235.692   16.094 -48.15294 22.11669 
1 1 1  -21    7    8 o  405.268   6.6513  568.896   18.656  602.767   26.981  537.866   25.825  416.970   9.3493  393.874   9.4733 23.09659 13.30982 
1 1 1  -21    7    9 o  274.756   10.058  261.903   19.127  249.310   23.506  286.585   32.908  267.871   12.679  286.304   16.680 -18.43344 20.95115 
1 1 1  -21    7   10 o  164.661   14.167   95.095   15.988   92.807   22.379   97.481   22.848  161.479   20.485  165.579   20.367 -4.100433 28.88658 
1 1 1  -21    7   11 o   66.444   22.892   14.276   12.760   22.668   29.664   12.371   14.134   90.760   34.378   65.379   23.927 25.38140 41.88528 
1 1 1  -21    7   12 o  188.192   11.797  124.043   15.287   0.0000   0.0000  124.043   15.287  ?   ?   188.192   11.797 0.000000 11.79659 
1 1 1  -21    7   13 o   56.056   22.241   6.5719   12.863   37.171   29.999  -0.3216   14.239  101.383   35.091   51.379   22.120 50.00352 41.48101 
1 1 1  -21    7   14 o  116.841   16.456   49.465   12.939   74.390   33.133   44.980   14.055  135.521   35.059  110.492   19.068 25.02917 39.90908 
1 1 1  -21    7   15 o   51.131   19.916   6.4489   10.150   4.3066   14.078   8.7685   14.648   54.694   22.680   60.115   23.771 -5.420765 32.85484 
1 1 1  -21    7   16 f   43.662   19.014  -0.7163   10.767   18.921   14.879 -22.3027   15.600   71.835   24.722   39.207   18.945 32.62798 31.14606 
1 1 1  -21    7   17 o  101.572   21.637   40.514   14.745   64.146   32.722   34.493   16.517  117.261   36.457   91.955   25.203 25.30629 44.32031 
1 1 1  -21    7   18 o   44.109   19.093   0.6565   10.726   9.2793   15.631  -7.0181   14.746   59.381   24.181   44.957   20.669 14.42330 31.81039 
1 1 1  -21    7   19 o   83.914   23.650   30.266   14.325   93.805   37.238   19.230   15.519  129.161   38.648   68.662   25.081 60.49915 46.07334 
1 1 1  -21    9    1 o  387.128   5.6553  518.851   15.152  500.565   21.161  538.094   21.708  380.161   8.0423  394.158   7.9573 -13.99698 11.31360 
1 1 1  -21    9    2 o  209.456   7.8797  151.946   11.423  153.602   16.033  150.239   16.279  210.221   11.058  207.875   11.358 2.345612 15.85204 
1 1 1  -21    9    3 o  400.253   5.7989  554.634   16.064  523.380   22.344  588.071   23.111  388.722   8.3051  412.055   8.1039 -23.33264 11.60377 
1 1 1  -21    9    4 o  226.397   7.9463  177.522   12.451  150.947   17.532  204.570   17.687  208.290   12.215  242.957   10.518 -34.66736 16.11923 
1 1 1  -21    9    5 o  1054.66   9.2094  3853.79   67.224  3869.27  116.293  3846.02   82.382  1055.54   15.918  1053.29   11.301 2.255127 19.52197 
1 1 1  -21    9    6 o  458.403   7.1533  727.760   22.695  773.659   41.688  708.427   27.056  472.227   12.755  452.190   8.6449 20.03690 15.40861 
1 1 1  -21    9    7 o  579.626   7.1743  1163.72   28.781  1141.69   35.120  1208.78   50.221  573.973   8.8407  590.205   12.294 -16.23206 15.14291 
1 1 1  -21    9    8 o  355.673   7.0090  438.237   17.254  435.861   24.635  440.525   24.173  354.510   10.040  356.420   9.7991 -1.910034 14.02969 
1 1 1  -21    9    9 o  488.999   7.7522  828.773   26.237  853.063   32.636  784.390   44.116  495.920   9.5083  474.992   13.419 20.92737 16.44645 
1 1 1  -21    9   10 o  314.663   8.2201  343.385   17.902  342.655   25.546  344.089   25.094  313.973   11.756  314.656   11.523 -0.6838684 16.46134 
1 1 1  -21    9   11 o  310.986   9.9520  336.121   21.421  383.024   35.649  309.619   26.798  330.951   15.564  298.024   12.992 32.92691 20.27331 
1 1 1  -21    9   12 o  206.616   11.229  149.312   15.998   0.0000   0.0000  149.312   15.998  ?   ?   206.616   11.229 0.000000 11.22927 
1 1 1  -21    9   13 o  280.237   10.277  274.179   19.932  309.805   34.161  255.790   24.543  295.289   16.785  269.924   13.138 25.36404 21.31465 
1 1 1  -21    9   14 o  112.340   16.931   45.940   12.756   52.634   32.560   44.727   13.864  114.417   36.476  110.192   18.856 4.225571 41.06160 
1 1 1  -21    9   15 o  147.556   13.101   77.713   13.240   69.512   33.947   79.185   14.379  127.842   36.539  148.584   14.154 -20.74226 39.18430 
1 1 1  -21    9   16 o   99.252   17.613   36.855   11.656   41.556   15.811   31.259   17.252  103.260   22.739   88.519   26.265 14.74071 34.74000 
1 1 1  -21    9   17 o  111.141   19.374   47.323   14.361 -15.1561   30.682   64.850   16.251   61.953   28.938  131.033   18.429 -69.07982 34.30776 
1 1 1  -21    9   18 o   49.448   20.150   5.4145   10.864   10.674   15.830   0.7311   14.938   60.875   24.497   50.807   22.253 10.06808 33.09534 
1 1 1  -21    9   19 o   55.139   21.394   10.057   11.678   9.3747   17.399   10.617   15.752   59.522   24.988   59.274   24.222 0.2481461 34.80053 
1 1 1  -21   11    1 o  287.571   6.2851  286.329   12.509  259.504   17.423  314.867   17.971  273.688   9.1980  301.493   8.6123 -27.80524 12.60062 
1 1 1  -21   11    2 o  513.477   5.6708  912.796   20.153  888.313   28.252  938.161   28.757  506.435   8.0602  520.455   7.9832 -14.01971 11.34453 
1 1 1  -21   11    3 o  418.412   5.8282  606.106   16.878  619.054   24.261  593.964   23.495  422.760   8.2917  414.109   8.1974 8.651245 11.65978 
1 1 1  -21   11    4 o  542.598   6.7171  1019.45   25.225  1006.34   42.865  1026.40   31.200  538.781   11.495  544.357   8.2811 -5.575378 14.16737 
1 1 1  -21   11    5 o  1058.85   8.0232  3883.48   58.797  3742.43   80.350  4046.08   86.270  1038.99   11.174  1080.26   11.539 -41.26355 16.06207 
1 1 1  -21   11    6 o  405.569   6.3932  569.596   17.946  605.053   25.469  534.638   25.290  417.877   8.8063  392.780   9.3029 25.09677 12.80998 
1 1 1  -21   11    7 o  268.912   9.0930  250.640   16.924  252.064   20.997  248.000   28.591  269.562   11.254  266.640   15.561 2.922272 19.20400 
1 1 1  -21   11    8 o  129.065   22.703   59.975   19.540   59.975   19.540   0.0000   0.0000  129.065   22.703  ?   ?  0.000000 22.70342 
1 1 1  -21   11    9 o  585.015   6.6876  1185.78   27.078  1206.73   38.883  1166.04   37.731  589.798   9.5254  579.786   9.4026 10.01239 13.38440 
1 1 1  -21   11   10 o  310.308   7.3415  333.827   15.767  385.805   33.527  319.067   17.866  332.709   14.560  303.276   8.5117 29.43283 16.86510 
1 1 1  -21   11   11 o  262.302   8.4205  238.875   15.287  258.146   33.510  233.811   17.178  270.534   18.000  259.383   9.5690 11.15109 20.38504 
1 1 1  -21   11   12 o  251.613   11.453  220.952   19.946  214.000   33.068  224.927   25.007  244.886   19.677  252.870   14.347 -7.983932 24.35187 
1 1 1  -21   11   13 o   62.691   23.531   11.144   13.826   0.0000   0.0000   11.144   13.826  ?   ?    62.691   23.531 0.000000 23.53061 
1 1 1  -21   11   14 o   37.790   17.882 -13.6164   12.402  -7.3317   30.787 -14.8338   13.550   69.049   30.994   39.454   18.676 29.59558 36.18615 
1 1 1  -21   11   15 o  129.597   15.229   60.792   13.399   55.171   33.597   61.855   14.612  114.166   37.118  130.220   16.589 -16.05383 40.65624 
1 1 1  -21   11   16 o  153.340   10.929   83.529   11.523   74.773   16.565   91.737   16.039  142.373   17.156  159.105   14.732 -16.73212 22.61367 
1 1 1  -21   11   17 o  119.093   14.482   52.068   11.691   58.282   16.246   45.392   16.838  123.289   19.702  106.374   23.497 16.91424 30.66453 
1 1 1  -21   11   18 o   34.891   17.188 -27.3860   14.733   0.0000   0.0000 -27.3860   14.733  ?   ?    34.891   17.188 0.000000 17.18769 
1 1 1  -21   11   19 o   43.360   20.016  -6.2381   14.032   3.2937   16.432 -31.9122   26.968   53.425   23.372   49.137   24.008 4.288456 33.50564 
1 1 1  -21   13    1 o  836.392   6.7550  2422.30   39.103  2358.04   54.162  2492.26   56.514  824.983   9.4857  848.122   9.6277 -23.13910 13.51556 
1 1 1  -21   13    2 o  780.724   6.5404  2110.51   35.341  2044.07   48.812  2183.71   51.236  768.128   9.1815  793.917   9.3244 -25.78943 13.08605 
1 1 1  -21   13    3 o  644.490   6.0500  1438.11   26.987  1400.66   37.453  1478.55   38.919  635.890   8.5100  653.326   8.6071 -17.43536 12.10377 
1 1 1  -21   13    4 o  636.161   6.9521  1401.43   30.610  1258.05   48.653  1495.37   39.380  602.372   11.670  657.015   8.6602 -54.64233 14.53226 
1 1 1  -21   13    5 o  402.539   7.3027  561.195   20.345  527.805   35.908  576.983   24.691  390.016   13.302  408.091   8.7420 -18.07492 15.91775 
1 1 1  -21   13    6 o  217.070   8.6566  163.271   13.005  173.586   18.669  153.544   18.128  223.357   12.122  209.985   12.531 13.37180 17.43420 
1 1 1  -21   13    7 o  206.963   10.741  148.969   15.333  145.610   19.064  155.122   25.800  204.305   13.559  210.299   17.896 -5.994049 22.45274 
1 1 1  -21   13    8 o  108.179   26.259   42.774   19.463   42.774   19.463   0.0000   0.0000  108.179   26.259  ?   ?  0.000000 26.25940 
1 1 1  -21   13    9 o  405.552   6.4300  569.831   18.048  603.903   37.146  559.301   20.649  416.770   12.878  401.709   7.4271 15.06064 14.86583 
1 1 1  -21   13   10 o  175.573   11.006  107.555   13.306   65.463   28.969  118.810   14.980  132.585   31.947  184.459   11.796 -51.87402 34.05465 
1 1 1  -21   13   11 o  201.637   9.7607  141.362   13.622  177.415   30.516  132.391   15.222  223.397   19.946  194.649   11.349 28.74808 22.94889 
1 1 1  -21   13   12 o  352.042   8.9978  431.282   21.923  489.268   37.652  401.539   26.966  373.279   14.574  339.091   11.490 34.18777 18.55849 
1 1 1  -21   13   13 o  101.925   20.864   38.610   14.223   0.0000   0.0000   38.610   14.223  ?   ?   101.925   20.864 0.000000 20.86393 
1 1 1  -21   13   14 o  129.789   14.542   60.426   12.839   62.780   30.083   59.902   14.196  124.236   33.998  128.645   16.311 -4.408684 37.70803 
1 1 1  -21   13   15 o  127.303   16.943   59.357   14.558   69.171   31.681   56.730   16.391  127.838   34.850  123.162   19.908 4.675369 40.13499 
1 1 1  -21   13   16 o  104.637   18.484   41.278   12.897   62.488   33.399   37.561   13.981  117.695   36.872   98.553   21.132 19.14174 42.49821 
1 1 1  -21   13   17 o   61.071   21.366   13.477   11.136   30.959   15.878  -3.4450   15.622   86.883   25.037   49.226   22.089 37.65759 33.38764 
1 1 1  -21   13   18 o   57.735   22.712   10.195   13.307  -6.9659   27.623   15.381   15.186   60.614   28.017   65.185   24.620 -4.570824 37.29751 
1 1 1  -21   13   19 o   42.757   19.001  -0.8325   11.269   0.7210   15.769  -2.4535   16.109   50.511   22.461   48.718   22.092 1.793045 31.50493 
1 1 1  -21   15    1 o  922.733   7.2013  2948.48   45.990  2904.06   64.297  2995.02   65.809  915.444   10.148  929.659   10.228 -14.21515 14.40803 
1 1 1  -21   15    2 o  635.721   5.9910  1399.23   26.360  1348.13   36.443  1455.31   38.174  623.856   8.4401  648.177   8.5094 -24.32062 11.98521 
1 1 1  -21   15    3 o  556.915   5.8987  1073.82   22.736  998.016   31.024  1161.78   33.417  536.769   8.3509  579.136   8.3371 -42.36743 11.80023 
1 1 1  -21   15    4 o  257.361   8.3302  229.441   14.838  224.927   24.298  232.125   18.738  254.215   13.862  258.787   10.461 -4.571884 17.36691 
1 1 1  -21   15    5 o  192.078   10.921  128.331   14.458  125.408   17.603  134.390   25.346  189.612   13.501  195.598   18.960 -5.985352 23.27633 
1 1 1  -21   15    6 o  515.069   6.2046  918.724   22.119  922.156   31.295  915.299   31.266  515.849   8.7656  513.926   8.7901 1.923279 12.41371 
1 1 1  -21   15    7 o  247.167   12.110  212.070   20.717  212.070   20.717   0.0000   0.0000  247.167   12.110  ?   ?  0.000000 12.11020 
1 1 1  -21   15    8 o  544.777   8.8111  1029.02   33.222  1020.98   45.678  1038.05   48.407  542.170   12.173  546.579   12.796 -4.409058 17.66117 
1 1 1  -21   15    9 o  362.167   6.6208  454.502   16.596  483.902   34.888  445.903   18.867  372.920   13.517  358.650   7.6007 14.27097 15.50741 
1 1 1  -21   15   10 o  195.971   13.017  134.349   17.555   99.902   28.251  156.016   22.406  166.096   25.381  210.807   15.465 -44.71153 29.72171 
1 1 1  -21   15   11 o  230.505   8.8960  184.650   14.192  222.049   31.464  175.098   15.902  250.443   18.278  224.309   10.243 26.13339 20.95275 
1 1 1  -21   15   12 o   40.968   18.908  -9.4135   12.510 -10.1805   28.485  -9.2302   13.924   66.126   29.737   43.983   20.170 22.14371 35.93215 
1 1 1  -21   15   13 f  112.196   19.332   46.260   14.470   0.0000   0.0000   46.260   14.470  ?   ?   112.196   19.332 0.000000 19.33165 
1 1 1  -21   15   14 o   74.877   22.212   20.992   12.339   53.805   29.282   13.908   13.606  114.923   34.245   65.343   23.543 49.57980 41.55708 
1 1 1  -21   15   15 o   78.276   22.429   23.508   12.775   27.351   29.375   22.611   14.187   88.546   34.049   77.060   24.013 11.48613 41.66483 
1 1 1  -21   15   16 o  100.157   19.771   38.395   13.218   14.615   31.681   43.407   14.545   78.978   33.465  106.289   20.515 -27.31110 39.25303 
1 1 1  -21   15   17 o   81.275   26.222   27.094   16.788   0.0000   0.0000   27.094   16.788  ?   ?    81.275   26.222 0.000000 26.22168 
1 1 1  -21   15   18 o   49.127   21.449   1.0869   13.779  -9.2302   15.643   36.820   29.111   44.731   20.816   88.664   33.943 -43.93288 39.81712 
1 1 1  -21   17    1 o  100.096   15.606   35.610   10.459   11.665   15.233   56.965   14.386   66.378   24.742  126.966   16.782 -60.58815 29.89618 
1 1 1  -21   17    2 o  408.037   5.8518  576.438   16.526  550.106   23.233  603.405   23.511  398.507   8.4236  417.379   8.1390 -18.87256 11.71324 
1 1 1  -21   17    3 o  390.289   6.8002  527.486   18.369  460.927   29.097  571.588   23.685  364.608   11.531  406.205   8.4248 -41.59741 14.28046 
1 1 1  -21   17    4 o  654.613   8.8334  1484.72   40.021   0.0000   0.0000  1484.72   40.021  ?   ?   654.613   8.8334 0.000000 8.833400 
1 1 1  -21   17    5 o  343.514   6.4539  408.650   15.344  431.767   21.709  385.569   21.691  352.983   8.8859  333.538   9.3964 19.44516 12.93258 
1 1 1  -21   17    6 o  524.686   6.2878  953.418   22.834  915.874   31.048  997.645   33.698  514.067   8.7264  536.492   9.0754 -22.42505 12.59016 
1 1 1  -21   17    7 f  137.247   19.310   66.993   17.835   66.993   17.835   0.0000   0.0000  137.247   19.310  ?   ?  0.000000 19.30982 
1 1 1  -21   17    8 o   51.117   21.647   0.5979   13.243   8.4683   24.783  -2.5475   15.668   74.981   30.481   52.784   22.962 22.19664 38.16238 
1 1 1  -21   17    9 o   61.642   22.499   10.910   12.485   44.517   26.569   1.3872   14.143  110.493   32.545   53.428   22.484 57.06533 39.55633 
1 1 1  -21   17   10 o  216.938   9.0276  163.425   13.554  222.537   29.510  147.620   15.259  251.480   17.056  205.755   10.753 45.72504 20.16218 
1 1 1  -21   17   11 o  202.413   13.175  143.816   18.356  136.098   31.665  147.722   22.527  193.684   24.146  204.466   16.048 -10.78163 28.99233 
1 1 1  -21   17   12 o  202.705   9.4936  143.205   13.319  170.439   30.167  136.611   14.844  217.577   20.266  197.469   10.904 20.10835 23.01317 
1 1 1  -21   17   13 o  116.136   16.362   48.799   12.787   27.054   31.327   53.147   14.007   92.220   35.233  121.023   17.207 -28.80282 39.21033 
1 1 1  -21   17   14 o  126.543   18.929   59.052   16.069   0.0000   0.0000   59.052   16.069  ?   ?   126.543   18.929 0.000000 18.92912 
1 1 1  -21   17   15 o  134.763   14.285   65.571   13.120   59.268   30.473   67.005   14.537  117.562   34.913  135.640   15.780 -18.07749 38.31327 
1 1 1  -21   17   16 o   94.291   21.509   34.765   13.726   33.863   31.417   34.977   15.259   91.960   35.248   93.689   23.557 -1.729538 42.39487 
1 1 1  -21   17   17 o  152.965   14.794   86.090   15.467   74.439   29.290   90.595   18.213  127.943   32.894  155.352   17.229 -27.40897 37.13326 
1 1 1  -21   17   18 o   75.349   20.792   23.114   11.197   20.449   15.053   26.415   16.753   70.857   24.839   78.477   26.242 -7.619324 36.13320 
1 1 1  -21   19    1 o  453.542   11.405  713.171   35.800   0.0000   0.0000  713.171   35.800  ?   ?   453.542   11.405 0.000000 11.40469 
1 1 1  -21   19    2 o  509.861   5.8761  900.061   20.736  846.370   28.558  959.929   30.156  494.292   8.3477  526.413   8.2770 -32.12134 11.75556 
1 1 1  -21   19    3 o  133.561   14.324   62.633   13.034   59.756   20.900   64.464   16.673  128.744   24.347  134.915   18.331 -6.170471 30.47625 
1 1 1  -21   19    4 o  179.873   11.473  112.666   14.208  103.109   17.204  133.171   25.199  171.688   14.617  194.675   18.942 -22.98701 23.92612 
1 1 1  -21   19    5 o  397.644   6.3642  547.603   17.515  533.216   24.598  562.401   24.947  392.233   9.0610  402.832   8.9477 -10.59872 12.73432 
1 1 1  -21   19    6 o  809.443   7.9787  2270.42   44.698  2227.82   53.630  2367.32   80.892  801.561   9.6670  825.340   14.161 -23.77856 17.14606 
1 1 1  -21   19    7 o  417.162   7.0697  602.955   20.412  625.366   36.181  592.492   24.722  424.320   12.320  413.403   8.6403 10.91663 15.04786 
1 1 1  -21   19    8 o  318.770   7.9337  352.275   17.504  362.829   30.962  347.318   21.220  322.917   13.854  316.380   9.6909 6.537537 16.90665 
1 1 1  -21   19    9 o   97.118   18.985   34.162   12.303   46.463   26.809   30.880   13.848  112.461   32.569   91.875   22.057 20.58582 39.33485 
1 1 1  -21   19   10 o  185.562   10.368  120.133   13.262   89.073   28.223  128.935   15.024  155.700   27.179  192.109   11.350 -36.40990 29.45391 
1 1 1  -21   19   11 o  327.553   7.1464  372.511   16.201  383.659   35.341  369.544   18.230  330.431   15.453  326.098   8.0770 4.332703 17.43674 
1 1 1  -21   19   12 o   48.554   20.562   1.1120   11.949   19.698   27.643  -3.1582   13.250   84.562   32.886   47.107   20.785 37.45530 38.90402 
1 1 1  -21   19   13 o   86.953   20.882   28.425   12.409   17.395   29.516   30.793   13.676   83.221   33.464   90.271   22.073 -7.050674 40.08820 
1 1 1  -21   19   14 o  139.745   17.898   71.503   16.913   0.0000   0.0000   71.503   16.913  ?   ?   139.745   17.898 0.000000 17.89833 
1 1 1  -21   19   15 o  105.051   18.127   41.269   12.704   25.249   30.766   44.562   13.948   86.856   34.417  108.776   19.230 -21.92016 39.42514 
1 1 1  -21   19   16 o  118.571   19.977   53.824   15.811   0.0000   0.0000   53.824   15.811  ?   ?   118.571   19.977 0.000000 19.97685 
1 1 1  -21   19   17 o  117.146   34.018   64.585   29.212   64.585   29.212   0.0000   0.0000  117.146   34.018  ?   ?  0.000000 34.01796 
1 1 1  -21   19   18 o   45.255   19.511   1.6502   11.111 -13.5371   14.687   21.975   16.990   40.540   19.263   72.702   26.290 -32.16203 32.59238 
1 1 1  -21   21    1 o  424.260   8.3393  623.566   24.487  623.566   24.487   0.0000   0.0000  424.260   8.3393  ?   ?  0.000000 8.339339 
1 1 1  -21   21    2 o   69.499   24.261   15.017   14.354   20.215   19.091   8.2585   21.770   80.307   27.982   71.384   28.727 8.922821 40.10289 
1 1 1  -21   21    3 o   70.415   23.394   16.413   13.319   27.502   16.274  -6.0829   23.180   87.738   25.365   62.720   27.590 25.01779 37.47798 
1 1 1  -21   21    4 o  186.825   11.380  121.521   14.644  117.518   17.657  130.342   26.210  183.417   14.015  192.353   19.979 -8.935379 24.40465 
1 1 1  -21   21    5 o  196.859   11.094  134.871   15.053  134.602   17.935  135.512   27.688  196.423   13.271  195.960   20.730 0.4624023 24.61379 
1 1 1  -21   21    6 o  356.233   8.6941  439.916   21.436  423.268   31.077  455.024   29.605  349.068   12.863  362.033   11.815 -12.96503 17.46620 
1 1 1  -21   21    7 o  303.896   8.0048  320.132   16.837  280.146   28.164  342.368   21.003  283.391   14.407  314.153   9.6595 -30.76166 17.34521 
1 1 1  -21   21    8 o   71.857   23.836   17.321   13.829   5.4732   24.974   22.561   16.608   72.772   30.194   80.884   26.079 -8.111359 39.89761 
1 1 1  -21   21    9 o  197.378   9.8349  135.331   13.435  148.537   28.147  131.434   15.289  204.608   20.137  194.054   11.434 10.55437 23.15701 
1 1 1  -21   21   10 o  178.134   14.051  111.628   17.183   99.610   28.257  118.679   21.644  165.089   25.556  182.964   17.298 -17.87453 30.85992 
1 1 1  -21   21   11 o  161.661   11.446   91.727   12.723  101.561   27.354   89.012   14.373  166.250   24.508  158.872   13.191 7.377609 27.83257 
1 1 1  -21   21   12 o  217.949   9.0793  165.621   13.696  174.195   30.134  163.389   15.375  219.548   20.053  216.248   10.273 3.299362 22.53092 
1 1 1  -21   21   13 o  183.142   11.367  118.235   14.337   98.537   31.151  123.530   16.149  159.133   29.365  186.840   12.561 -27.70653 31.93917 
1 1 1  -21   21   14 o   58.040   22.934   8.1753   13.625   0.0000   0.0000   8.1753   13.625  ?   ?    58.040   22.934 0.000000 22.93373 
1 1 1  -21   21   15 o  120.399   15.999   53.241   13.002   24.610   30.276   59.715   14.397   85.657   34.079  127.274   16.750 -41.61681 37.97310 
1 1 1  -21   21   16 o   69.475   24.263   18.070   14.358   49.171   27.397   6.2942   16.858  104.818   33.464   58.874   24.649 45.94421 41.56186 
1 1 1  -21   21   17 o   43.412   19.791  -5.3022   13.148   33.971   27.145 -17.3392   15.028   87.680   32.959   39.681   19.027 47.99888 38.05704 
1 1 1  -21   21   18 o   69.162   21.328   19.682   11.224   13.672   14.930   27.493   17.022   62.049   24.158   78.915   26.452 -16.86595 35.82349 
1 1 1  -21   23    1 o  296.291   6.7415  304.035   13.825  312.061   19.952  296.624   19.173  300.054   9.6075  292.545   9.4695 7.508972 13.48982 
1 1 1  -21   23    2 o  208.841   17.401  152.781   24.923   0.0000   0.0000  152.781   24.923  ?   ?   208.841   17.401 0.000000 17.40095 
1 1 1  -21   23    3 o  542.324   6.9892  1018.74   26.234  1022.21   32.053  1011.71   45.660  543.124   8.5269  539.939   12.218 3.184937 14.89944 
1 1 1  -21   23    4 o  375.829   7.3857  489.338   19.211  464.211   22.860  549.756   35.447  365.952   9.0255  397.906   12.871 -31.95386 15.72048 
1 1 1  -21   23    5 o  285.706   8.0060  282.884   15.831  309.561   26.576  268.212   19.710  298.536   12.862  278.071   10.241 20.46478 16.44149 
1 1 1  -21   23    6 o  371.789   7.3738  478.995   18.974  458.634   31.961  490.076   23.579  363.315   12.711  375.934   9.0622 -12.61969 15.61036 
1 1 1  -21   23    7 f  333.967   13.335  387.951   30.824  387.951   30.824   0.0000   0.0000  333.967   13.335  ?   ?  0.000000 13.33545 
1 1 1  -21   23    8 o  306.786   7.2756  326.302   15.448  328.976   30.607  325.388   17.895  307.218   14.395  306.259   8.4423 0.9589539 16.68761 
1 1 1  -21   23    9 o   88.504   20.520   28.696   12.325   7.3707   25.590   35.137   14.064   74.450   30.699   97.937   21.350 -23.48631 37.39331 
1 1 1  -21   23   10 o  214.074   12.045  160.466   17.774  144.781   28.410  170.553   22.783  200.982   20.721  220.014   15.052 -19.03261 25.61098 
1 1 1  -21   23   11 f  106.988   17.253   41.482   12.341   50.293   27.116   39.181   13.860  114.159   32.666  103.141   20.138 11.01823 38.37426 
1 1 1  -21   23   12 o  152.184   12.162   81.814   12.703   71.268   29.449   84.225   14.080  134.427   32.096  154.112   13.332 -19.68494 34.75474 
1 1 1  -21   23   13 o   38.584   17.970  -9.8424   11.694   21.512   28.842 -16.0107   12.793   85.108   33.451   37.195   17.759 47.91321 37.87259 
1 1 1  -21   23   14 o  191.477   11.498  129.885   15.167   0.0000   0.0000  129.885   15.167  ?   ?   191.477   11.498 0.000000 11.49828 
1 1 1  -21   23   15 o   84.619   34.386   22.995   31.524   0.0000   0.0000   22.995   31.524  ?   ?    84.619   34.386 0.000000 34.38575 
1 1 1  -21   23   16 o  113.374   23.681   51.632   17.983   71.122   27.446   36.972   23.804  127.351   31.349   92.480   31.279 34.87067 44.28473 
1 1 1  -21   23   17 o   66.820   23.071   17.415   12.963   17.288   28.010   17.449   14.624   74.557   31.523   67.488   24.393 7.068588 39.85855 
1 1 1  -21   23   18 o   34.445   16.706 -17.0839   12.404 -20.5024   28.911 -16.3126   13.732   54.684   26.266   37.224   17.934 17.45962 31.80449 
1 1 1  -21   25    1 o   68.058   25.286   12.513   15.886   0.0000   0.0000   12.513   15.886  ?   ?    68.058   25.286 0.000000 25.28584 
1 1 1  -21   25    2 o  616.124   6.2369  1314.68   26.596  1209.39   35.694  1446.09   39.878  590.721   8.7303  645.925   8.9202 -55.20447 12.48156 
1 1 1  -21   25    3 o  184.847   11.191  118.982   14.250   87.659   22.269  140.701   18.543  157.081   21.009  200.819   13.419 -43.73793 24.92916 
1 1 1  -21   25    4 o  397.052   6.1536  546.022   16.910  503.415   31.427  563.385   20.062  380.801   11.924  403.253   7.1883 -22.45242 13.92328 
1 1 1  -21   25    5 o  169.270   14.053  100.310   16.315   72.976   23.739  124.781   22.461  142.120   25.049  188.402   17.422 -46.28255 30.51221 
1 1 1  -21   25    6 o  212.181   10.165  156.241   14.928  135.610   25.322  167.231   18.482  196.115   18.889  219.039   12.240 -22.92419 22.50820 
1 1 1  -21   25    7 o  274.507   7.8252  261.282   14.867  256.634   28.632  262.998   17.396  270.875   15.335  275.309   9.1296 -4.434357 17.84718 
1 1 1  -21   25    8 o  173.048   10.888  104.522   12.974  119.317   25.650   99.435   15.040  183.054   20.603  168.454   13.000 14.59961 24.36208 
1 1 1  -21   25    9 o  185.977   13.005  121.314   16.634  113.171   26.921  126.344   21.157  177.244   22.448  189.099   16.325 -11.85497 27.75673 
1 1 1  -21   25   10 o  191.518   10.010  128.137   13.222  135.512   27.305  125.877   15.112  194.099   20.642  189.516   11.577 4.582443 23.66704 
1 1 1  -21   25   11 o  128.689   13.934   58.912   12.212   70.634   27.358   55.995   13.648  135.424   29.981  124.837   16.176 10.58634 34.06623 
1 1 1  -21   25   12 o   91.574   20.652   31.449   12.777   19.180   27.042   34.975   14.497   82.655   32.421   96.237   22.215 -13.58104 39.30187 
1 1 1  -21   25   13 o   78.979   21.517   23.682   12.081   14.078   29.360   25.639   13.255   79.594   32.858   81.967   22.624 -2.373390 39.89371 
1 1 1  -21   25   14 o  157.544   11.969   88.376   12.953   35.151   29.218  101.394   14.450   94.613   34.436  168.609   12.471 -73.99617 36.62505 
1 1 1  -21   25   15 o   85.064   26.427   29.159   17.197   0.0000   0.0000   29.159   17.197  ?   ?    85.064   26.427 0.000000 26.42692 
1 1 1  -21   25   16 o   49.627   21.607   0.6827   13.898 -20.1463   29.492   6.6284   15.757   58.143   27.531   57.449   23.922 0.6937561 36.47213 
1 1 1  -21   25   17 o   94.547   20.528   35.920   13.048   40.195   29.326   34.864   14.569   91.331   34.272   91.570   23.015 -0.2385483 41.28320 
1 1 1  -21   27    1 o   85.642   22.688   26.572   13.663 -15.3415   23.011   49.393   16.980   56.958   26.050  117.051   21.760 -60.09274 33.94296 
1 1 1  -21   27    2 o  362.666   6.4749  455.578   16.252  413.685   22.109  504.828   23.972  345.424   9.2480  381.596   9.0767 -36.17252 12.95808 
1 1 1  -21   27    3 f  156.565   11.222   85.508   12.079   53.268   22.333   98.840   14.361  120.695   27.365  168.248   12.421 -47.55334 30.05230 
1 1 1  -21   27    4 o  250.479   7.8597  217.447   13.626  196.488   26.471  225.002   15.893  236.964   16.238  254.731   9.0144 -17.76750 18.57264 
1 1 1  -21   27    5 o  669.629   6.3217  1553.42   29.298  1490.24   56.173  1577.03   34.339  654.859   12.394  674.568   7.3551 -19.70972 14.41196 
1 1 1  -21   27    6 f  568.793   6.1909  1120.91   24.372  1020.49   45.223  1162.01   28.933  541.820   12.059  579.004   7.2200 -37.18408 14.05556 
1 1 1  -21   27    7 f  578.297   6.2528  1158.97   25.027  1143.42   48.476  1164.63   29.222  573.242   12.218  579.557   7.2851 -6.315002 14.22530 
1 1 1  -21   27    8 o   72.417   22.079   18.664   12.070   40.971   23.980   11.095   13.969  105.372   30.885   63.506   23.688 41.86602 38.92315 
1 1 1  -21   27    9 o  143.451   12.717   72.450   12.495   83.463   26.807   69.393   14.123  150.120   26.783  139.939   14.807 10.18091 30.60369 
1 1 1  -21   27   10 o  159.659   11.484   89.547   12.605  113.610   27.256   83.000   14.217  176.418   22.860  153.227   13.545 23.19089 26.57139 
1 1 1  -21   27   11 o  169.610   11.049  101.115   12.900   91.122   27.053  104.056   14.676  155.640   26.034  171.721   12.432 -16.08093 28.85018 
1 1 1  -21   27   12 o   72.100   21.387   19.317   11.440   50.488   27.457   12.769   12.585  112.124   33.101   62.962   22.646 49.16256 40.10656 
1 1 1  -21   27   13 o  106.076   17.125   41.462   12.144   11.132   27.449   48.844   13.542   75.486   31.515  115.154   17.546 -39.66809 36.07023 
1 1 1  -21   27   14 o  131.022   13.833   62.009   12.354   22.405   29.035   70.764   13.651   83.494   33.324  139.856   14.305 -56.36255 36.26468 
1 1 1  -21   27   15 o   94.473   30.789   37.980   23.112   0.0000   0.0000   37.980   23.112  ?   ?    94.473   30.789 0.000000 30.78930 
1 1 1  -21   27   16 o   83.042   27.582   29.037   18.516   14.405   29.566   38.479   23.750   74.626   31.995   92.854   31.244 -18.22784 44.71984 
1 1 1  -21   27   17 o  118.845   16.978   54.238   13.568   23.615   28.981   62.835   15.354   77.686   32.404  127.361   17.914 -49.67543 37.02597 
1 1 1  -21   29    1 o  402.263   7.6517  560.758   21.303  549.969   26.274  581.463   36.397  398.220   9.5329  409.100   12.855 -10.87979 16.00362 
1 1 1  -21   29    2 o  160.585   10.619   89.875   11.736   76.829   23.265   94.327   13.591  146.179   23.816  164.371   12.031 -18.19255 26.68185 
1 1 1  -21   29    3 o  243.777   7.9010  205.982   13.331  144.000   25.511  229.263   15.635  202.291   18.423  257.135   8.7853 -54.84430 20.41060 
1 1 1  -21   29    4 o  454.997   6.8114  717.337   21.450  692.683   37.323  729.496   26.211  446.494   12.078  458.698   8.2561 -12.20435 14.62996 
1 1 1  -21   29    5 o  499.025   7.2414  863.165   25.011  785.854   40.093  912.417   32.000  475.451   12.184  512.837   9.0157 -37.38626 15.15678 
1 1 1  -21   29    6 f  275.721   9.3531  263.900   17.849  258.195   28.537  267.565   22.875  271.610   15.242  277.361   11.916 -5.750916 19.34727 
1 1 1  -21   29    7 o  267.259   7.9207  247.849   14.651  233.561   28.599  252.933   17.060  257.864   16.105  269.865   9.1338 -12.00168 18.51475 
1 1 1  -21   29    8 o  205.127   11.630  147.146   16.443  107.951   25.489  175.081   21.519  173.150   21.750  223.314   13.993 -50.16418 25.86224 
1 1 1  -21   29    9 o  215.271   8.8097  161.228   13.126  149.902   26.365  164.960   15.135  204.844   18.806  217.574   10.051 -12.73015 21.32320 
1 1 1  -21   29   10 o  147.865   12.089   77.096   12.263   98.293   25.617   70.794   13.968  163.381   23.315  141.063   14.514 22.31816 27.46375 
1 1 1  -21   29   11 o  130.164   15.105   60.770   13.355   70.341   24.956   56.929   15.809  135.260   27.593  124.705   18.910 10.55491 33.45086 
1 1 1  -21   29   12 o  111.552   15.970   45.264   11.978   29.693   27.623   48.870   13.293   91.081   33.433  115.584   17.135 -24.50285 37.56833 
1 1 1  -21   29   13 o  156.540   11.793   87.087   12.684   12.478   29.628  103.828   14.035   77.788   32.629  170.945   11.937 -93.15646 34.74376 
1 1 1  -21   29   14 o   31.130   15.338 -23.6370   11.756 -63.3171   26.797 -14.1809   13.081   43.367   21.665   38.347   18.209 5.019745 28.30082 
1 1 1  -21   29   15 o   61.304   23.776   11.492   14.418   0.0000   0.0000   11.492   14.418  ?   ?    61.304   23.776 0.000000 23.77610 
1 1 1  -21   29   16 o   59.490   22.860   11.560   13.236   28.580   27.460   6.4090   15.106   82.978   32.631   55.961   23.373 27.01664 40.13830 
1 1 1  -21   29   17 o  116.653   18.741   53.750   14.619   4.6693   25.914   76.661   17.705   63.447   28.461  139.576   18.806 -76.12904 34.11296 
1 1 1  -21   31    1 o  253.130   7.8098  222.099   13.682  175.805   26.692  238.598   15.935  223.828   17.366  262.307   8.7775 -38.47858 19.45853 
1 1 1  -21   31    2 o  286.863   7.0464  285.163   13.990  227.610   27.244  305.775   16.304  255.151   15.501  296.995   7.9317 -41.84343 17.41220 
1 1 1  -21   31    3 o  563.578   6.0744  1100.33   23.694  975.122   43.690  1152.50   28.201  529.729   11.917  576.672   7.0657 -46.94318 13.85391 
1 1 1  -21   31    4 o  420.625   8.6178  613.711   25.088  623.415   36.343  604.878   34.676  423.403   12.402  417.124   12.011 6.279144 17.26486 
1 1 1  -21   31    5 o  201.516   9.5123  140.985   13.267  167.756   26.464  131.997   15.333  218.264   17.670  194.515   11.440 23.74930 21.04965 
1 1 1  -21   31    6 o  302.822   8.7783  318.370   18.398  311.902   29.927  322.300   23.327  298.900   14.466  304.394   11.072 -5.493622 18.21752 
1 1 1  -21   31    7 o  168.262   11.403   99.077   13.201   72.000   26.286  108.210   15.266  139.118   28.264  175.665   12.641 -36.54686 30.96200 
1 1 1  -21   31    8 f   81.453   21.393   24.483   12.216   32.941   24.172   21.582   14.156   95.768   31.501   77.471   23.962 18.29650 39.57877 
1 1 1  -21   31    9 o   56.318   21.440   8.2927   11.575   38.029   23.022  -1.7677   13.391  100.412   30.466   48.617   21.187 51.79499 37.10878 
1 1 1  -21   31   10 o  202.275   9.8249  142.893   13.755  163.658   27.448  135.929   15.894  213.165   18.797  196.567   11.737 16.59798 22.16000 
1 1 1  -21   31   11 o   77.098   22.640   22.273   12.874   15.127   24.522   24.992   15.127   76.926   30.650   81.501   24.688 -4.575203 39.35616 
1 1 1  -21   31   12 o  126.542   14.410   57.680   12.395   84.390   27.120   50.627   13.936  146.741   27.719  117.279   17.721 29.46224 32.89948 
1 1 1  -21   31   13 o  146.246   12.676   76.535   12.704   82.049   28.313   75.145   14.215  141.877   29.782  144.207   14.436 -2.330261 33.09663 
1 1 1  -21   31   14 o   47.663   21.910  -8.6745   16.567 -39.3707   24.972   15.453   22.140   47.021   23.002   72.323   29.017 -25.30169 37.02820 
1 1 1  -21   31   15 o   62.660   24.148   12.644   14.799   0.0000   0.0000   12.644   14.799  ?   ?    62.660   24.148 0.000000 24.14771 
1 1 1  -21   31   16 o   75.742   26.269   23.894   16.815   0.0000   0.0000   23.894   16.815  ?   ?    75.742   26.269 0.000000 26.26886 
1 1 1  -21   33    1 o  422.426   6.9344  618.437   20.274   0.0000   0.0000  618.437   20.274  ?   ?   422.426   6.9344 0.000000 6.934422 
1 1 1  -21   33    2 o  703.094   6.4269  1712.97   31.275  1627.81   60.289  1744.32   36.581  684.071   12.734  709.338   7.4512 -25.26685 14.75377 
1 1 1  -21   33    3 o  259.769   8.2936  234.066   14.911  219.463   27.045  240.443   17.873  250.301   15.691  263.160   9.8129 -12.85902 18.50676 
1 1 1  -21   33    4 o  126.616   14.128   56.571   12.170   28.254   23.466   66.989   14.233   91.582   31.055  137.726   15.184 -46.14369 34.56867 
1 1 1  -21   33    5 o  315.435   7.0278  345.056   15.343  297.610   30.155  361.629   17.822  291.476   14.999  322.823   7.9767 -31.34720 16.98779 
1 1 1  -21   33    6 o  216.868   8.9317  163.419   13.406  153.610   26.706  166.723   15.501  208.032   18.750  218.912   10.231 -10.87999 21.35950 
1 1 1  -21   33    7 o  104.103   21.674   39.925   15.108   8.2976   24.041   60.570   19.423   72.795   29.855  128.556   22.658 -55.76104 37.47940 
1 1 1  -21   33    8 o  119.312   15.000   50.830   12.112   19.566   23.230   62.504   14.195   81.230   30.499  132.282   15.818 -51.05209 34.35661 
1 1 1  -21   33    9 o   99.211   18.515   36.134   12.246  -4.5224   23.704   50.935   14.302   62.663   27.716  118.395   18.022 -55.73201 33.06065 
1 1 1  -21   33   10 o  164.470   12.193   95.586   13.780   93.854   26.315   96.241   16.175  158.024   24.883  164.385   14.361 -6.360886 28.73015 
1 1 1  -21   33   11 o  138.828   12.853   68.641   12.209   82.195   26.100   64.844   13.814  145.816   26.852  134.166   15.141 11.64948 30.82625 
1 1 1  -21   33   12 o  242.728   9.5103  206.699   15.977   0.0000   0.0000  206.699   15.977  ?   ?   242.728   9.5103 0.000000 9.510284 
1 1 1  -21   33   13 o   52.657   23.118  -0.9645   16.206 -21.5268   25.345   13.256   21.077   54.174   25.613   70.165   28.256 -15.99045 38.13667 
1 1 1  -21   33   14 o  101.297   18.626   39.157   12.578   92.634   25.372   21.733   14.482  152.315   24.930   74.509   24.377 77.80669 34.86729 
1 1 1  -21   33   15 o   56.746   22.473   9.1339   13.111   24.195   29.093   5.2957   14.687   80.826   32.960   54.637   22.948 26.18894 40.16214 
1 1 1  -21   33   16 o   32.435   16.157 -32.5584   14.449   0.0000   0.0000 -32.5584   14.449  ?   ?    32.435   16.157 0.000000 16.15664 
1 1 1  -21   35    1 o   95.470   20.351   33.205   13.036   0.0000   0.0000   33.205   13.036  ?   ?    95.470   20.351 0.000000 20.35143 
1 1 1  -21   35    2 o  132.040   14.986   61.612   13.452   0.0000   0.0000   61.612   13.452  ?   ?   132.040   14.986 0.000000 14.98583 
1 1 1  -21   35    3 o   94.298   18.218   32.216   11.460   18.146   24.506   36.153   12.965   82.319   31.231   99.785   19.471 -17.46600 36.80333 
1 1 1  -21   35    4 o  321.290   6.8356  357.991   15.200  334.488   29.390  366.574   17.760  309.564   13.717  325.003   7.8955 -15.43887 15.82739 
1 1 1  -21   35    5 o  379.578   7.9167  500.237   20.798  459.854   33.185  526.361   26.691  362.874   13.213  389.001   9.9135 -26.12766 16.51871 
1 1 1  -21   35    6 o  167.312   11.378   98.083   13.097  104.829   26.451   95.891   15.074  169.890   23.094  165.048   13.309 4.841080 26.65490 
1 1 1  -21   35    7 o  152.196   11.805   81.440   12.338   50.439   23.374   93.414   14.527  115.052   29.281  162.803   13.001 -47.75088 32.03711 
1 1 1  -21   35    8 o  175.397   10.592  107.858   12.798  132.146   24.220   98.451   15.074  191.837   18.470  166.948   13.152 24.88902 22.67452 
1 1 1  -21   35    9 o  212.430   10.064  157.753   14.796  191.073   27.211  143.766   17.630  231.013   17.141  201.819   12.686 29.19420 21.32526 
1 1 1  -21   35   10 o   41.527   18.868  -6.1838   11.823 -28.1220   24.614   0.3960   13.480   51.710   24.674   50.237   21.573 1.472649 32.77471 
1 1 1  -21   35   11 f  133.176   13.603   63.571   12.363   75.171   25.660   60.065   14.108  138.201   27.790  128.488   16.226 9.713165 32.18013 
1 1 1  -21   35   12 o   43.346   19.685  -5.9592   12.851  -5.7805   24.891  -6.0242   15.005   61.488   27.711   47.213   21.374 14.27439 34.99621 
1 1 1  -21   35   13 o  105.782   17.689   42.027   12.493   3.2595   25.535   54.228   14.325   66.623   29.140  120.430   17.716 -53.80707 34.10266 
1 1 1  -21   35   14 o   69.310   22.566   18.644   12.416   18.654   24.663   18.640   14.370   75.526   30.512   69.918   24.282 5.608696 38.99479 
1 1 1  -21   35   15 o   49.431   21.473   1.4018   13.662 -44.0683   25.890   18.950   16.083   45.722   22.572   69.962   25.537 -24.24051 34.08235 
1 1 1  -21   35   16 o   77.727   22.029   25.416   12.393   37.766   18.180   14.694   16.939   91.209   26.937   64.198   25.506 27.01144 37.09660 
1 1 1  -21   37    1 o  406.509   6.1662  572.845   17.349  546.829   34.695  581.518   20.033  396.074   12.656  409.464   7.0690 -13.38947 14.49671 
1 1 1  -21   37    2 o  118.454   18.777   50.516   14.881   0.0000   0.0000   50.516   14.881  ?   ?   118.454   18.777 0.000000 18.77724 
1 1 1  -21   37    3 o  339.987   7.6280  401.195   17.949   0.0000   0.0000  401.195   17.949  ?   ?   339.987   7.6280 0.000000 7.628044 
1 1 1  -21   37    4 o  390.692   6.3420  529.422   17.149  505.854   34.147  537.371   19.831  380.530   12.965  393.473   7.2822 -12.94327 14.87045 
1 1 1  -21   37    5 o  189.095   9.8216  124.830   12.810  118.927   25.698  126.781   14.776  181.809   20.796  190.311   11.269 -8.501328 23.65295 
1 1 1  -21   37    6 o  135.972   17.221   66.330   15.843   68.439   24.827   64.882   20.578  134.791   27.543  132.602   23.271 2.188660 36.05767 
1 1 1  -21   37    7 o   53.799   21.291   6.1241   11.760   5.4878   23.685   6.3323   13.548   69.536   29.170   56.773   22.727 12.76279 36.97892 
1 1 1  -21   37    8 o   75.322   21.944   21.020   12.138   12.912   22.956   24.167   14.301   74.209   29.627   80.563   23.916 -6.354286 38.07505 
1 1 1  -21   37    9 o   38.478   18.105 -12.4094   12.387   38.488   24.133 -30.6147   14.433   99.506   31.369   34.138   16.853 65.36740 35.60959 
1 1 1  -21   37   10 f   69.325   22.419   17.520   12.266   82.585   25.681  -1.7125   13.962  146.229   26.344   49.084   21.506 97.14531 34.00729 
1 1 1  -21   37   11 o  128.839   16.373   60.660   14.270   0.0000   0.0000   60.660   14.270  ?   ?   128.839   16.373 0.000000 16.37266 
1 1 1  -21   37   12 f  144.181   17.158   76.702   16.786   73.415   25.724   79.140   22.152  134.107   28.588  143.038   23.168 -8.931931 36.79749 
1 1 1  -21   37   13 o   58.270   22.557   9.9938   12.959   30.551   26.192   3.3307   14.912   87.117   32.448   53.821   22.889 33.29570 39.70889 
1 1 1  -21   37   14 o   57.045   20.369   11.466   10.163   19.766   12.934  -1.9303   16.432   70.718   23.032   51.197   22.835 19.52116 32.43374 
1 1 1  -21   37   15 o   29.258   14.393 -19.2868   10.220 -22.8413   13.268 -14.1014   16.025   33.845   16.600   42.594   20.205 -8.748726 26.14933 
1 1 1  -21   39    1 o  263.991   9.1379  242.311   16.696  291.463   27.912  214.925   20.834  288.625   13.973  248.182   12.129 40.44281 18.50268 
1 1 1  -21   39    2 o  156.488   11.195   85.795   12.045   71.707   24.172   90.448   13.892  139.175   26.051  160.437   12.613 -21.26193 28.94382 
1 1 1  -21   39    3 o   82.521   20.884   25.127   11.938   68.390   27.909   15.437   13.208  134.238   30.706   68.121   23.298 66.11637 38.54362 
1 1 1  -21   39    4 o  148.551   13.735   77.985   13.962   0.0000   0.0000   77.985   13.962  ?   ?   148.551   13.735 0.000000 13.73531 
1 1 1  -21   39    5 o  197.885   11.789  137.411   16.073  116.829   27.670  147.893   19.746  178.949   22.864  204.747   14.019 -25.79800 26.81930 
1 1 1  -21   39    6 o  238.562   8.2027  198.075   13.544  186.927   26.837  201.885   15.688  229.011   17.054  240.627   9.4199 -11.61639 19.48242 
1 1 1  -21   39    7 o  147.592   12.220   76.969   12.371   79.220   24.440   76.193   14.344  145.175   25.240  146.276   14.353 -1.101563 29.03554 
1 1 1  -21   39    8 o   65.271   22.723   14.357   12.588  -0.4032   23.719   20.143   14.852   64.731   28.204   74.798   24.696 -10.06740 37.48851 
1 1 1  -21   39    9 o  205.637   9.7598  148.109   13.890  129.366   27.112  154.780   16.175  187.014   21.328  209.538   11.194 -22.52432 24.08706 
1 1 1  -21   39   10 o   90.672   19.965   31.157   12.190   4.0078   25.770   38.983   13.836   68.908   29.711  101.508   20.402 -32.60026 36.04147 
1 1 1  -21   39   11 o   76.005   23.231   22.218   13.351   6.9610   23.894   29.144   16.099   68.216   28.992   85.930   25.340 -17.71414 38.50475 
1 1 1  -21   39   12 f   36.492   17.451 -15.1352   12.457 -25.1707   23.976 -11.4243   14.580   50.596   24.200   42.640   19.927 7.955429 31.34899 
1 1 1  -21   39   13 o   74.456   19.274   21.628   10.010   29.154   13.390   12.093   15.071   85.261   22.400   62.437   24.282 22.82432 33.03605 
1 1 1  -21   39   14 o   75.715   22.890   23.399   13.013   51.122   25.346   13.475   15.164  104.751   32.007   63.227   24.422 41.52428 40.26038 
1 1 1  -21   39   15 o   31.247   15.184 -15.5697   10.381 -24.7989   13.846  -3.7222   15.687   33.950   16.712   47.757   21.712 -13.80706 27.39898 
1 1 1  -21   41    1 o  304.607   7.5441  322.358   15.905  328.195   29.171  319.889   18.973  305.951   13.776  303.178   9.0418 2.772858 16.47818 
1 1 1  -21   41    2 o  171.306   10.221  102.669   12.063  120.293   24.830   97.223   13.802  182.869   19.941  166.324   12.072 16.54451 23.31065 
1 1 1  -21   41    3 o   56.385   21.167   8.7188   11.188   3.2190   23.695   10.297   12.693   68.144   28.912   60.445   22.574 7.698387 36.68053 
1 1 1  -21   41    4 o   82.018   20.583   24.992   11.666  -5.1561   24.049   34.269   13.340   62.937   27.874   96.143   20.663 -33.20621 34.69735 
1 1 1  -21   41    5 o   61.633   25.594   4.8899   17.965   0.0000   0.0000   4.8899   17.965  ?   ?    61.633   25.594 0.000000 25.59372 
1 1 1  -21   41    6 o  125.463   16.267   56.740   13.793   0.0000   0.0000   56.740   13.793  ?   ?   125.463   16.267 0.000000 16.26693 
1 1 1  -21   41    7 o   84.905   25.876   27.184   16.581   56.049   23.206  -2.9180   23.698  119.885   28.404   63.103   27.822 56.78114 39.75997 
1 1 1  -21   41    8 o  209.699   9.4882  153.887   13.771  163.219   26.700  150.505   16.073  212.049   18.375  206.613   11.283 5.435989 21.56216 
1 1 1  -21   41    9 o  122.904   14.872   54.625   12.393   52.829   24.656   55.232   14.336  114.057   30.599  122.666   17.371 -8.609329 35.18615 
1 1 1  -21   41   10 o  104.772   17.318   40.746   12.119   42.117   25.559   40.348   13.765  100.960   32.331  103.161   20.001 -2.201157 38.01811 
1 1 1  -21   41   11 o   76.425   21.541   22.689   11.884   27.838   13.213   0.8766   27.195   84.239   22.309   67.120   29.688 17.11889 37.13534 
1 1 1  -21   41   12 f  108.650   14.107   43.265   10.358   49.885   14.131   35.579   15.227  114.692   18.425   94.092   23.463 20.59975 29.83257 
1 1 1  -21   41   13 o   35.571   16.562  -7.4992   9.9243 -18.5717   13.148   7.1628   15.130   35.777   17.314   57.009   23.565 -21.23179 29.24195 
1 1 1  -21   41   14 o   52.819   20.053   9.0231   10.108   6.4130   13.810   12.034   14.833   53.970   22.428   60.845   23.965 -6.875134 32.82273 
1 1 1  -21   43    1 o  155.330   11.014   84.742   11.763   80.390   23.878   86.137   13.518  147.208   24.283  156.257   12.607 -9.049301 27.36046 
1 1 1  -21   43    2 o  134.378   12.787   63.903   11.749   33.312   25.508   72.141   13.237   95.716   32.379  142.658   13.570 -46.94186 35.10759 
1 1 1  -21   43    3 o   88.096   19.328   28.758   11.461   17.932   22.720   32.453   13.273   78.747   30.024   93.287   21.057 -14.53993 36.67216 
1 1 1  -21   43    4 o   72.704   24.321   18.560   14.390   4.2873   22.972   27.778   18.461   67.483   28.540   86.589   27.451 -19.10648 39.59955 
1 1 1  -21   43    5 o  128.839   13.744   59.180   12.066   50.049   23.653   62.393   14.029  113.134   29.795  131.758   15.693 -18.62385 33.67526 
1 1 1  -21   43    6 o  156.848   13.452   87.472   14.462   0.0000   0.0000   87.472   14.462  ?   ?   156.848   13.452 0.000000 13.45183 
1 1 1  -21   43    7 o  135.958   17.467   67.366   16.056   0.0000   0.0000   67.366   16.056  ?   ?   135.958   17.467 0.000000 17.46717 
1 1 1  -21   43    8 o  166.393   11.385   97.994   13.032   93.951   27.767   99.136   14.759  155.513   26.763  166.848   12.880 -11.33554 29.70150 
1 1 1  -21   43    9 o   36.194   17.517 -20.2760   13.464   0.0000   0.0000 -20.2760   13.464  ?   ?    36.194   17.517 0.000000 17.51661 
1 1 1  -21   43   10 o   36.430   16.777  -6.4602   9.7741   8.7682   12.298 -32.5702   16.104   56.503   21.946   36.076   17.809 20.42665 28.26283 
1 1 1  -21   43   11 o   41.645   18.109  -0.3913   9.7359   2.9006   13.135  -4.4046   14.503   50.910   21.559   47.015   21.174 3.895096 30.21780 
1 1 1  -21   43   12 o   48.251   19.459   5.1934   10.013   4.4407   13.731   6.0480   14.632   52.841   22.191   55.580   23.090 -2.738163 32.02520 
1 1 1  -21   43   13 o   88.938   20.956   31.832   12.688   31.434   23.069   32.005   15.192   84.650   30.631   87.394   24.258 -2.743431 39.07305 
1 1 1  -21   43   14 o   49.302   19.927   6.2628   10.524  -0.6910   14.335   14.395   15.501   47.964   21.366   63.201   24.614 -15.23719 32.59349 
1 1 1  -21   45    1 o  212.796   8.5633  157.820   12.612  177.073   25.015  151.258   14.604  222.780   16.338  208.029   10.143 14.75125 19.23013 
1 1 1  -21   45    2 o   66.736   21.071   16.006   10.886   40.483   23.252   9.1350   12.319  102.312   30.523   58.136   22.122 44.17543 37.69656 
1 1 1  -21   45    3 o  123.094   14.101   54.167   11.796   81.366   23.940   45.446   13.556  147.283   24.336  111.399   18.212 35.88483 30.39555 
1 1 1  -21   45    4 o   53.083   20.972   6.2601   11.392 -32.5561   21.970   20.535   13.323   46.276   22.391   74.684   23.270 -28.40852 32.29342 
1 1 1  -21   45    5 o  222.026   8.5847  172.081   13.192  174.342   26.290  171.321   15.251  219.920   17.415  221.203   9.9615 -1.283112 20.06266 
1 1 1  -21   45    6 o  113.444   15.731   46.739   12.019   40.839   22.340   49.143   14.259  101.474   29.830  115.400   18.476 -13.92610 35.08808 
1 1 1  -21   45    7 o  207.613   10.626  151.942   15.217   0.0000   0.0000  151.942   15.217  ?   ?   207.613   10.626 0.000000 10.62554 
1 1 1  -21   45    8 o   78.470   24.053   23.646   14.301   0.0000   0.0000   23.646   14.301  ?   ?    78.470   24.053 0.000000 24.05307 
1 1 1  -21   45    9 o   75.843   25.854   21.676   16.264   0.0000   0.0000   21.676   16.264  ?   ?    75.843   25.854 0.000000 25.85379 
1 1 1  -21   45   10 o  146.605   13.062   77.517   13.115   79.755   14.798   69.317   28.319  147.970   14.641  126.429   32.258 21.54086 35.42528 
1 1 1  -21   45   11 o   91.050   23.724   33.617   15.100   0.0000   0.0000   33.617   15.100  ?   ?    91.050   23.724 0.000000 23.72362 
1 1 1  -21   45   12 o   35.938   16.687  -7.0389   9.9636 -20.7147   13.896   7.4314   14.294   36.141   17.563   56.152   23.024 -20.01097 28.95825 
1 1 1  -21   45   13 o  104.792   15.347   41.533   10.801   58.912   14.736   21.356   15.878  123.475   17.755   72.014   25.486 51.46122 31.06067 
1 1 1  -21   47    1 o   65.114   22.564   14.386   12.405   40.444   21.302   1.0144   15.260  101.773   28.894   53.819   23.028 47.95410 36.94794 
1 1 1  -21   47    2 f   47.473   19.791   2.3900   10.802 -10.8732   21.503   6.8664   12.492   55.263   25.239   55.385   21.936 -0.1228333 33.43950 
1 1 1  -21   47    3 o   39.443   18.797 -17.1198   14.193 -26.8780   21.950 -10.1090   18.605   48.280   23.109   51.187   23.415 -2.906631 32.89857 
1 1 1  -21   47    4 o  100.612   17.242   37.252   11.575   29.961   23.388   39.617   13.320   89.614   30.986  103.093   19.380 -13.47842 36.54750 
1 1 1  -21   47    5 o  214.615   8.8267  161.079   13.111  157.512   25.652  162.341   15.254  208.150   17.983  215.062   10.248 -6.912247 20.69768 
1 1 1  -21   47    6 o   69.170   22.496   17.559   12.341  -0.1932   22.194   25.504   14.847   62.046   27.152   81.455   24.411 -19.40915 36.51179 
1 1 1  -21   47    7 f  116.214   15.667   49.351   12.280   28.000   23.301   57.562   14.450   86.160   30.833  125.037   17.149 -38.87718 35.28127 
1 1 1  -21   47    8 f   99.260   17.884   36.969   11.834   65.951   18.099   15.323   15.641  131.958   20.481   67.723   25.104 64.23531 32.39902 
1 1 1  -21   47    9 o   71.837   23.991   19.629   14.002   24.868   16.856   7.9610   25.153   79.503   26.312   69.230   29.591 10.27245 39.59790 
1 1 1  -21   47   10 o   51.242   20.612   6.0678   11.202   11.717   16.223   0.9196   15.486   63.271   25.017   52.430   22.819 10.84053 33.86058 
1 1 1  -21   47   11 o   59.099   21.179   12.429   10.997   21.741   16.967   5.6834   14.441   74.189   26.336   54.762   22.860 19.42696 34.87403 
1 1 1  -21   47   12 f   47.685   20.338   2.6758   11.836  -1.7571   19.602   5.2192   14.848   54.718   24.632   54.198   22.935 0.5199318 33.65601 
1 1 1  -21   49    1 o   76.244   22.227   21.942   12.450   6.8000   21.321   29.777   15.336   66.457   27.763   87.934   24.360 -21.47766 36.93486 
1 1 1  -21   49    2 o   46.619   20.332  -1.1820   12.353   9.0341   21.495  -6.2194   15.094   68.375   28.158   47.618   21.508 20.75723 35.43284 
1 1 1  -21   49    3 o  121.394   14.335   53.104   11.811   64.878   22.695   48.731   13.832  129.027   26.306  114.935   17.977 14.09123 31.86227 
1 1 1  -21   49    4 o  152.115   11.639   82.100   12.161   40.161   24.093   96.437   14.087   99.850   31.323  164.648   12.454 -64.79864 33.70791 
1 1 1  -21   49    5 o   93.346   18.841   32.797   11.753   15.127   23.490   38.697   13.574   74.661   29.913  101.102   20.106 -26.44125 36.04176 
1 1 1  -21   49    6 o  215.389   8.8210  162.641   13.150  162.195   25.064  162.811   15.446  210.633   17.347  214.968   10.382 -4.335358 20.21633 
1 1 1  -21   49    7 o  103.620   18.833   40.564   13.009   25.361   23.131   47.596   15.733   82.654   30.551  111.310   21.196 -28.65591 37.18432 
1 1 1  -21   49    8 o   48.991   20.100   4.3144   10.903   4.6153   13.093   3.6341   19.689   52.661   21.857   60.448   26.017 -7.786777 33.97998 
1 1 1  -21   49    9 o   61.229   20.582   13.827   10.307   26.765   14.067  -1.1667   15.143   81.628   23.578   50.298   22.205 31.33013 32.38816 
1 1 1  -21   49   10 o   77.615   21.736   24.132   12.140   46.493   20.011   11.110   15.272  104.430   27.359   61.256   24.256 43.17368 36.56324 
1 1 1  -21   49   11 o   55.889   23.170   7.0363   14.688   0.0000   0.0000   7.0363   14.688  ?   ?    55.889   23.170 0.000000 23.16992 
1 1 1  -21   49   12 f   64.561   22.485   16.603   12.326   6.4537   19.031   23.936   16.177   58.960   25.477   74.692   25.773 -15.73192 36.24024 
1 1 1  -21   51    1 o  196.636   9.0579  135.465   12.327  135.658   24.704  135.401   14.225  192.146   18.817  195.900   10.530 -3.753876 21.56340 
1 1 1  -21   51    2 o   73.021   26.861   18.014   17.845   19.829   22.157   14.663   30.104   77.876   29.660   79.686   33.114 -1.810410 44.45510 
1 1 1  -21   51    3 o  123.067   15.981   55.325   13.291   63.659   22.899   51.092   16.322  126.645   26.952  116.007   21.106 10.63743 34.23264 
1 1 1  -21   51    4 o  101.466   16.913   38.173   11.459   22.590   22.642   43.538   13.287   80.358   30.122  107.877   18.459 -27.51830 35.32846 
1 1 1  -21   51    5 f  135.150   13.826   65.954   12.751   67.220   23.774   65.443   15.107  129.204   27.434  133.364   16.735 -4.160400 32.13580 
1 1 1  -21   51    6 f  187.835   9.9504  124.729   12.890  137.805   24.995  119.992   15.044  192.274   19.033  183.385   11.918 8.889542 22.45617 
1 1 1  -21   51    7 o  102.281   14.245   38.347   9.8103   40.885   12.798   34.731   15.277  103.821   18.488   93.207   23.644 10.61406 30.01458 
1 1 1  -21   51    8 o   50.516   20.876   4.5807   11.869  -4.2238   13.569   33.273   24.495   45.376   20.454   88.948   31.636 -43.57175 37.67237 
1 1 1  -21   51    9 o  146.805   10.795   77.160   10.892   70.050   14.639   85.976   16.301  137.334   15.682  152.283   15.691 -14.94876 22.18419 
1 1 1  -21   51   10 o   59.372   22.163   12.207   12.232   20.851   14.552  -8.6000   22.578   71.929   24.455   54.692   25.298 17.23671 35.18586 
1 1 1  -21   51   11 o   78.520   20.086   25.055   10.960   30.116   15.402   19.863   15.599   83.473   24.828   69.874   25.203 13.59930 35.37822 
1 1 1  -21   53    1 o  100.514   17.229   37.630   11.554   25.868   23.620   41.330   13.247   83.725   30.887  104.714   18.978 -20.98869 36.25129 
1 1 1  -21   53    2 o   57.154   21.300   10.111   11.289   2.9361   22.417   12.549   13.067   63.714   27.591   62.189   22.967 1.524750 35.89902 
1 1 1  -21   53    3 o  124.722   13.884   56.327   11.781   79.854   22.672   47.625   13.789  143.434   23.663  112.742   18.299 30.69192 29.91324 
1 1 1  -21   53    4 o   51.419   21.897   2.2782   13.680  -2.2361   20.915   5.6537   18.085   58.154   25.863   60.394   25.421 -2.240139 36.26432 
1 1 1  -21   53    5 o   88.529   18.951   30.016   11.261   48.385   20.922   22.523   13.362  108.134   27.801   75.893   23.248 32.24149 36.24029 
1 1 1  -21   53    6 o   71.608   21.743   19.951   11.723   9.4829   17.911   27.795   15.505   63.014   25.798   83.038   24.959 -20.02425 35.89527 
1 1 1  -21   53    7 o  156.420   9.7714   86.878   10.526   76.868   13.986   99.955   15.985  145.106   14.104  165.634   14.077 -20.52762 19.92719 
1 1 1  -21   53    8 o   83.461   17.952   26.919   10.062   30.876   13.382   21.772   15.263   87.533   22.089   73.910   25.046 13.62287 33.39468 
1 1 1  -21   53    9 o   75.887   19.925   22.987   10.598   30.541   14.160   13.365   15.981   85.897   23.250   63.627   24.933 22.26947 34.09139 
1 1 1  -21   53   10 o   48.020   20.686   2.3138   12.468   23.288   22.460  -7.0279   14.989   75.382   29.553   44.783   20.678 30.59881 36.06882 
1 1 1  -21   55    1 o  150.754   14.969   82.843   15.412   81.171   25.415   83.816   19.382  141.774   26.885  149.295   19.203 -7.521271 33.03865 
1 1 1  -21   55    2 o  111.528   15.312   45.788   11.508   48.371   23.201   44.945   13.253  106.801   30.097  109.202   18.174 -2.401131 35.15796 
1 1 1  -21   55    3 o   58.220   21.236   11.284   11.120   30.907   21.779   4.3646   12.933   87.061   29.913   52.106   21.683 34.95533 36.94481 
1 1 1  -21   55    4 o   58.562   21.297   11.571   11.171  -1.6859   20.036   17.553   13.458   56.873   25.302   68.467   23.514 -11.59467 34.54165 
1 1 1  -21   55    5 o  151.403   12.873   82.857   13.362   45.239   21.878  105.236   16.874  102.656   29.330  169.814   14.496 -67.15797 32.71682 
1 1 1  -21   55    6 o  111.201   14.861   45.754   11.151   54.786   13.572   26.985   19.565  120.886   16.664   81.223   28.326 39.66252 32.86426 
1 1 1  -21   55    7 o   84.869   19.889   28.460   11.479   37.908   13.163  -1.5385   23.455   98.186   20.048   59.924   26.963 38.26150 33.59903 
1 1 1  -21   55    8 o   52.920   19.923   9.0885   9.9252   1.3187   13.680   17.723   14.421   49.310   21.454   67.677   24.253 -18.36648 32.37999 
1 1 1  -21   55    9 o   67.460   20.878   18.427   10.745   19.308   14.620   17.391   15.847   69.016   24.452   67.090   25.190 1.926163 35.10606 
1 1 1  -21   57    1 o  150.552   13.559   82.285   13.977   0.0000   0.0000   82.285   13.977  ?   ?   150.552   13.559 0.000000 13.55903 
1 1 1  -21   57    2 o   35.778   16.867 -10.3700   10.849 -34.5658   20.760  -1.2803   12.724   42.416   20.796   46.235   20.386 -3.819603 29.12098 
1 1 1  -21   57    3 o   46.310   19.903   1.1954   11.492 -30.4342   20.835   15.024   13.777   43.851   21.354   64.927   23.644 -21.07614 31.85989 
1 1 1  -21   57    4 o   55.079   20.996   9.3571   11.110  -1.2376   21.342   13.295   13.011   58.166   25.979   61.995   22.914 -3.828533 34.64001 
1 1 1  -21   57    5 o   63.314   20.293   15.407   10.067   2.6115   13.253   32.864   15.480   50.234   21.476   89.131   24.387 -38.89685 32.49506 
1 1 1  -21   57    6 o   63.208   21.258   15.316   10.994   27.641   13.072 -14.4829   20.326   82.285   22.366   49.102   23.130 33.18367 32.17518 
1 1 1  -21   57    7 o   79.040   18.092   24.561   9.6836   23.466   13.224   25.827   14.219   75.335   23.137   78.525   23.969 -3.190804 33.31399 
1 1 1  -21   57    8 o   53.029   19.984   9.4634   9.9919   4.1702   13.774   15.343   14.517   51.403   21.933   63.887   24.085 -12.48380 32.57536 
1 1 1  -21   59    1 o  144.670   12.062   75.617   11.967   49.073   23.241   85.195   13.960  105.009   30.299  152.921   13.323 -47.91201 33.09866 
1 1 1  -21   59    2 o  106.402   18.521   43.608   13.144   0.0000   0.0000   43.608   13.144  ?   ?   106.402   18.521 0.000000 18.52110 
1 1 1  -21   59    3 o   83.982   19.345   27.767   11.013   39.141   22.189   24.050   12.685   93.701   30.137   77.018   22.432 16.68300 37.56874 
1 1 1  -21   59    4 o  138.764   12.014   69.808   11.424   44.093   23.708   77.585   13.038   98.026   31.112  145.750   13.063 -47.72394 33.74286 
1 1 1  -21   59    5 o   35.202   16.383  -7.0313   9.6943   5.2271   12.876 -23.0720   14.729   51.764   21.596   36.450   17.795 15.31343 27.98312 
1 1 1  -21   59    6 o  129.383   11.877   61.022   10.517   74.132   14.021   44.158   15.903  140.967   14.582  103.051   22.892 37.91597 27.14174 
1 1 1  -21   61    1 o   49.724   20.181   5.8588   10.843  -0.8688   21.266   8.2221   12.604   57.203   25.712   54.656   21.906 2.547367 33.77861 
1 1 1  -21   61    2 o   49.824   20.842   4.5101   12.039 -22.9122   21.174   17.608   14.634   46.278   22.290   67.362   24.393 -21.08400 33.04363 
1 1 1  -21   61    3 o   89.153   21.334   32.477   12.988   0.0000   0.0000   32.477   12.988  ?   ?    89.153   21.334 0.000000 21.33398 
1 1 1  -21   61    4 o   39.225   17.770  -3.5362   10.391  -7.8664   14.192   1.4667   15.254   42.947   19.933   51.131   22.439 -8.183392 30.01384 
1 1 1  -20    0    1 o   50.404   26.125   12.833   11.779   12.833   11.779   12.833   11.779   50.404   26.125   50.404   26.125 0.000000 0.000000 
1 1 1  -20    0    3 o  828.883   9.4772  2379.12   54.353  2379.12   54.353  2379.12   54.353  828.883   9.4772  828.883   9.4772 0.000000 0.000000 
1 1 1  -20    0    4 o  467.799   8.0904  758.112   26.177  758.112   26.177  758.112   26.177  467.799   8.0904  467.799   8.0904 0.000000 0.000000 
1 1 1  -20    0    5 o  1021.20   10.972  3611.32   77.531  3611.32   77.531  3611.32   77.531  1021.20   10.972  1021.20   10.972 0.000000 0.000000 
1 1 1  -20    0    6 o  609.764   8.5920  1287.73   36.244  1287.73   36.244  1287.73   36.244  609.764   8.5920  609.764   8.5920 0.000000 0.000000 
1 1 1  -20    0    7 f   40.490   27.225  -9.1951   21.712  -9.1951   21.712  -9.1951   21.712   40.490   27.225   40.490   27.225 0.000000 0.000000 
1 1 1  -20    0    8 o   45.789   28.229   5.4598   17.491   5.4598   17.491   5.4598   17.491   45.789   28.229   45.789   28.229 0.000000 0.000000 
1 1 1  -20    0    9 o  741.906   9.6862  1906.78   49.718  1906.78   49.718  1906.78   49.718  741.906   9.6862  741.906   9.6862 0.000000 0.000000 
1 1 1  -20    0   10 o  470.291   9.5168  766.850   30.948  766.850   30.948  766.850   30.948  470.291   9.5168  470.291   9.5168 0.000000 0.000000 
1 1 1  -20    0   11 o  142.986   26.127   77.861   23.303   77.861   23.303   77.861   23.303  142.986   26.127  142.986   26.127 0.000000 0.000000 
1 1 1  -20    0   12 o  147.706   24.521   82.096   22.990   82.096   22.990   82.096   22.990  147.706   24.521  147.706   24.521 0.000000 0.000000 
1 1 1  -20    0   13 f  267.854   10.003  249.964   18.485  249.964   18.485  249.964   18.485  267.854   10.003  267.854   10.003 0.000000 0.000000 
1 1 1  -20    0   14 o   48.111   28.126   10.088   15.620   10.088   15.620   10.088   15.620   48.111   28.126   48.111   28.126 0.000000 0.000000 
1 1 1  -20    0   15 o  252.966   10.559  224.030   18.414  224.030   18.414  224.030   18.414  252.966   10.559  252.966   10.559 0.000000 0.000000 
1 1 1  -20    0   16 o  156.355   35.768  103.707   33.717  103.707   33.717  103.707   33.717  156.355   35.768  156.355   35.768 0.000000 0.000000 
1 1 1  -20    0   17 o   28.562   19.841 -10.6509   13.794 -10.6509   13.794 -10.6509   13.794   28.562   19.841   28.562   19.841 0.000000 0.000000 
1 1 1  -20    0   18 f   81.523   30.039   33.951   15.690   33.951   15.690   33.951   15.690   81.523   30.039   81.523   30.039 0.000000 0.000000 
1 1 1  -20    0   19 o   68.326   31.597   28.754   16.483   28.754   16.483   28.754   16.483   68.326   31.597   68.326   31.597 0.000000 0.000000 
1 1 1  -20    2    1 o  627.965   5.7120  1365.27   24.826  1337.70   34.639  1394.38   35.598  621.451   8.0533  634.477   8.1066 -13.02606 11.42684 
1 1 1  -20    2    2 o  298.687   5.9068  308.876   12.211  312.099   17.254  305.643   17.283  300.172   8.3053  297.048   8.4066 3.124298 11.81731 
1 1 1  -20    2    3 o  301.118   6.1463  313.929   12.809  322.451   18.106  305.389   18.124  305.109   8.5744  296.919   8.8195 8.189972 12.30053 
1 1 1  -20    2    4 o  1281.55   9.1963  5689.23   81.569  5704.44  115.659  5674.18  115.055  1282.61   13.029  1279.21   12.995 3.399902 18.40190 
1 1 1  -20    2    5 o  718.010   6.3055  1784.87   31.335  1773.51   44.200  1796.35   44.429  715.557   8.9248  720.150   8.9140 -4.592468 12.61390 
1 1 1  -20    2    6 o  1107.42   8.2601  4247.38   63.311  4298.21   90.529  4198.73   88.572  1113.57   11.746  1100.63   11.627 12.94421 16.52773 
1 1 1  -20    2    7 o  796.322   7.7817  2196.17   42.889  2193.17   73.835  2197.70   52.689  795.163   13.416  796.440   9.5586 -1.276917 16.47294 
1 1 1  -20    2    8 o  439.444   9.0336  669.120   27.475  691.707   41.320  651.219   36.785  446.462   13.372  433.294   12.266 13.16821 18.14601 
1 1 1  -20    2    9 o  180.747   13.870  114.125   17.218  106.224   20.428  133.512   31.998  173.882   17.200  193.863   24.388 -19.98148 29.84275 
1 1 1  -20    2   10 o  151.361   14.991   80.461   15.498   76.564   22.511   83.974   21.369  146.148   23.016  153.696   20.608 -7.548279 30.89366 
1 1 1  -20    2   11 o  156.913   17.658   87.043   18.844  113.903   22.826   29.571   33.390  179.569   18.638   99.976   36.748 79.59296 41.20428 
1 1 1  -20    2   12 o  110.973   18.490   44.333   13.702   0.0000   0.0000   44.333   13.702  ?   ?   110.973   18.490 0.000000 18.48985 
1 1 1  -20    2   13 o  307.629   9.6567  329.332   20.560  260.780   33.943  369.062   25.841  271.250   18.186  325.281   11.478 -54.03113 21.50482 
1 1 1  -20    2   14 o  141.023   11.623   70.036   11.244   81.762   15.956   58.468   15.847  151.508   15.431  126.985   18.581 24.52241 24.15308 
1 1 1  -20    2   15 o   48.135   20.775  -0.3775   12.624   8.6497   14.148 -35.6585   27.969   59.831   23.455   53.756   25.824 6.075462 34.88587 
1 1 1  -20    2   16 o  122.709   16.781   54.991   13.879   41.346   32.527   58.028   15.346  102.341   36.450  125.555   18.189 -23.21325 40.73633 
1 1 1  -20    2   17 o   84.550   18.754   27.163   10.687   20.614   15.322   33.369   14.915   74.226   25.095   92.192   23.350 -17.96645 34.27736 
1 1 1  -20    2   18 o   41.032   18.562  -4.4520   11.293 -17.4166   15.004   12.493   17.153   40.020   19.142   65.050   25.723 -25.02963 32.06437 
1 1 1  -20    2   19 o   42.943   19.353  -3.4639   12.139 -14.9561   18.707   4.8960   15.955   46.579   22.017   55.577   23.657 -8.998173 32.31699 
1 1 1  -20    4    1 o  273.956   5.9415  259.849   11.266  250.353   15.792  269.688   16.075  268.835   8.4875  279.028   8.3241 -10.19345 11.88815 
1 1 1  -20    4    2 o  601.196   5.7111  1251.32   23.764  1212.63   32.773  1294.21   34.507  591.704   8.0028  611.275   8.1564 -19.57086 11.42674 
1 1 1  -20    4    3 o  230.461   7.1645  183.917   11.428  175.869   15.988  192.322   16.340  225.286   10.254  235.595   10.021 -10.30937 14.33739 
1 1 1  -20    4    4 o  1790.39   12.295 11112.68  152.356 11252.25  218.316 10980.17  212.720  1799.93   17.525  1778.13   17.285 21.80676 24.61474 
1 1 1  -20    4    5 o  616.677   5.9903  1316.56   25.567  1315.97   36.504  1317.13   35.821  616.407   8.5566  616.688   8.3925 -0.2808228 11.98539 
1 1 1  -20    4    6 o  873.107   7.0388  2639.59   42.535  2708.82   61.662  2576.73   58.750  884.213   10.076  862.409   9.8428 21.80432 14.08565 
1 1 1  -20    4    7 o  672.571   7.2303  1566.47   33.657  1496.58   55.885  1606.24   42.160  656.972   12.291  680.932   8.9459 -23.96002 15.20158 
1 1 1  -20    4    8 o  459.994   7.2340  732.840   23.031  734.019   28.762  730.732   38.448  460.258   9.0289  458.992   12.103 1.266327 15.09983 
1 1 1  -20    4    9 o  259.092   8.6015  232.632   15.424  237.339   21.918  228.014   21.709  261.519   12.110  256.323   12.237 5.196564 17.21602 
1 1 1  -20    4   10 o  212.573   10.920  157.218   16.012  177.452   23.246  138.949   22.088  225.367   14.989  199.130   16.166 26.23790 22.04541 
1 1 1  -20    4   11 o  266.675   9.4974  246.766   17.529  264.454   25.027  229.731   24.560  275.731   13.114  256.544   13.884 19.18640 19.09831 
1 1 1  -20    4   12 o  501.926   7.2989  873.791   25.356   0.0000   0.0000  873.791   25.356  ?   ?   501.926   7.2989 0.000000 7.298887 
1 1 1  -20    4   13 o  168.731   11.737   99.821   13.621  109.561   31.583   97.595   15.097  172.182   27.423  166.543   13.206 5.639145 30.43709 
1 1 1  -20    4   14 o  212.628   8.3102  157.346   12.229  148.303   17.112  166.788   17.484  205.437   12.088  218.025   11.629 -12.58775 16.77361 
1 1 1  -20    4   15 o  108.283   34.017   46.307   28.405   0.0000   0.0000   46.307   28.405  ?   ?   108.283   34.017 0.000000 34.01666 
1 1 1  -20    4   16 o   88.495   17.604   29.147   10.403   18.385   14.727   39.866   14.697   71.773   24.601  102.468   21.414 -30.69505 32.61509 
1 1 1  -20    4   17 o   44.834   20.266  -5.3015   13.429 -21.8634   30.330  -1.2632   14.977   60.161   28.314   50.606   22.221 9.555004 35.99216 
1 1 1  -20    4   18 o   46.434   19.480   2.7243   10.563   10.536   14.655  -5.7216   15.239   60.588   23.835   47.182   21.431 13.40549 32.05294 
1 1 1  -20    4   19 o   48.952   20.307   4.4716   11.294  -3.7157   15.962   12.679   15.981   48.938   22.110   62.976   24.853 -14.03765 33.26411 
1 1 1  -20    6    1 o  182.588   7.7155  115.462   9.7502  116.664   13.699  114.228   13.881  183.143   10.856  181.191   11.122 1.951813 15.54201 
1 1 1  -20    6    2 o  775.924   6.4088  2084.58   34.417  2004.96   47.072  2176.03   50.449  760.769   8.9399  792.538   9.1972 -31.76874 12.82620 
1 1 1  -20    6    3 o   53.308   19.594   7.8129   9.4920   3.9389   13.522   11.576   13.327   55.172   22.482   63.896   23.257 -8.723373 32.34708 
1 1 1  -20    6    4 o  742.542   6.3742  1908.95   32.758  1882.10   45.798  1937.08   46.875  737.129   8.9769  747.811   9.0568 -10.68280 12.75187 
1 1 1  -20    6    5 o  353.593   6.1342  432.855   15.012  437.497   21.468  428.414   21.000  355.406   8.7276  351.700   8.6272 3.705566 12.27190 
1 1 1  -20    6    6 o  1174.61   9.9457  4780.25   80.855  4780.49  139.767  4780.12   99.126  1173.27   17.212  1174.25   12.197 -0.9853516 21.09540 
1 1 1  -20    6    7 o  291.768   10.022  294.990   20.238   0.0000   0.0000  294.990   20.238  ?   ?   291.768   10.022 0.000000 10.02208 
1 1 1  -20    6    8 o  443.278   7.2354  680.558   22.198  700.539   27.725  644.878   37.050  449.641   8.9091  431.150   12.416 18.49124 15.28167 
1 1 1  -20    6    9 o  752.027   6.8178  1958.88   35.486  1983.30   50.814  1935.63   49.577  756.349   9.7070  747.222   9.5864 9.126648 13.64275 
1 1 1  -20    6   10 f  323.944   9.4074  363.915   21.092  383.741   25.972  325.512   36.146  332.497   11.286  305.152   17.185 27.34567 20.55939 
1 1 1  -20    6   11 o  457.847   6.4071  726.334   20.303  793.171   42.787  706.912   23.065  477.521   12.946  451.591   7.3795 25.92993 14.90178 
1 1 1  -20    6   12 o  248.025   8.5523  213.562   14.681  209.658   33.986  214.458   16.278  243.133   20.385  248.455   9.4663 -5.321854 22.47569 
1 1 1  -20    6   13 o  405.309   7.6329  570.560   21.412   0.0000   0.0000  570.560   21.412  ?   ?   405.309   7.6329 0.000000 7.632862 
1 1 1  -20    6   14 o   72.101   22.679   18.696   12.621 -10.3366   29.396   25.257   13.974   66.865   30.126   82.401   23.406 -15.53588 38.14966 
1 1 1  -20    6   15 o   78.928   18.880   23.249   10.175   24.006   14.365   22.487   14.415   80.076   24.014   77.902   24.194 2.174423 34.08859 
1 1 1  -20    6   16 o  125.829   13.039   56.651   11.191   48.034   15.541   65.929   16.126  113.006   20.631  134.058   17.822 -21.05234 27.26301 
1 1 1  -20    6   17 o   85.779   24.960   29.116   15.713   65.610   32.135   17.649   18.013  121.939   35.756   72.112   26.899 49.82721 44.74479 
1 1 1  -20    6   18 o  148.017   11.327   78.424   11.516   71.201   16.406   85.440   16.169  137.832   17.600  152.368   15.550 -14.53694 23.48541 
1 1 1  -20    6   19 o   51.942   20.708   7.1905   11.201  -4.6163   16.401   17.511   15.334   48.930   22.228   67.911   24.912 -18.98113 33.38708 
1 1 1  -20    8    1 o  285.513   5.9738  282.229   11.805  271.505   16.260  294.183   17.166  279.972   8.3910  291.426   8.5106 -11.45435 11.95160 
1 1 1  -20    8    2 o  702.040   8.6207  1707.18   41.887   0.0000   0.0000  1707.18   41.887  ?   ?   702.040   8.6207 0.000000 8.620698 
1 1 1  -20    8    3 f  969.480   7.4260  3254.72   49.828  3233.12   69.992  3276.92   70.953  965.940   10.469  972.453   10.542 -6.513000 14.85736 
1 1 1  -20    8    4 o  316.027   6.2972  345.777   13.774  337.832   19.694  353.383   19.270  312.297   9.1116  319.417   8.7166 -7.119965 12.60957 
1 1 1  -20    8    5 o  526.573   5.8279  959.920   21.240  963.957   29.945  955.833   30.130  527.578   8.2010  525.346   8.2866 2.232117 11.65862 
1 1 1  -20    8    6 o  1005.72   8.8851  3503.60   61.846  3479.02  105.900  3516.32   76.189  1001.24   15.282  1007.29   10.928 -6.049011 18.78754 
1 1 1  -20    8    7 o   58.819   22.408   8.3469   12.649   11.759   15.925   2.5137   20.823   67.347   25.258   65.390   27.387 1.957321 37.25651 
1 1 1  -20    8    8 o  332.540   7.9776  383.082   18.361  378.546   22.939  391.171   30.630  330.464   10.029  335.726   13.182 -5.262299 16.56371 
1 1 1  -20    8    9 o  773.206   7.9716  2071.52   42.659  2115.06   53.449  1995.12   70.808  781.021   9.8877  757.913   13.498 23.10754 16.73246 
1 1 1  -20    8   10 o  447.504   8.0443  694.111   24.915  706.574   30.849  670.732   42.253  451.322   9.8759  439.213   13.900 12.10950 17.05097 
1 1 1  -20    8   11 o  126.107   15.457   56.264   13.208   82.732   29.609   49.688   14.758  150.104   29.552  117.762   18.735 32.34213 34.99018 
1 1 1  -20    8   12 o  518.036   6.4721  930.452   23.205  1019.02   50.484  906.726   26.129  540.414   13.497  511.242   7.3844 29.17200 15.38524 
1 1 1  -20    8   13 o  141.764   14.435   71.181   13.966   0.0000   0.0000   71.181   13.966  ?   ?   141.764   14.435 0.000000 14.43492 
1 1 1  -20    8   14 o   63.236   25.915   6.4374   18.097   27.137   30.208  -5.1496   22.601   92.450   34.766   60.827   26.976 31.62267 44.00433 
1 1 1  -20    8   15 o   51.155   19.903   6.3094   10.128   11.176   14.401   1.5461   14.246   62.968   23.928   52.666   22.385 10.30226 32.76637 
1 1 1  -20    8   16 o   47.796   19.670   3.4065   10.481   17.178   14.891 -10.1168   14.756   70.210   24.699   44.319   20.483 25.89094 32.08711 
1 1 1  -20    8   17 o   91.330   18.979   31.716   11.605   22.791   15.418   43.380   17.626   76.991   25.150  104.471   24.756 -27.48050 35.29055 
1 1 1  -20    8   18 o  108.004   16.006   43.477   11.602   58.966   17.102   30.268   15.793  123.374   20.766   86.106   25.015 37.26744 32.51097 
1 1 1  -20    8   19 o   34.215   16.369 -12.8802   10.985 -26.3405   16.731  -2.6825   14.563   38.585   18.865   47.456   21.308 -8.871552 28.45895 
1 1 1  -20   10    1 o  514.876   5.4962  917.737   19.586  906.433   27.524  929.332   27.877  511.598   7.7734  518.019   7.7753 -6.421600 10.99455 
1 1 1  -20   10    2 o  595.047   5.7405  1225.82   23.642  1207.14   32.937  1245.67   33.954  590.380   8.0609  599.721   8.1802 -9.341309 11.48450 
1 1 1  -20   10    3 o  937.005   7.2668  3040.20   47.126  2972.90   65.391  3112.92   67.978  926.296   10.200  947.841   10.362 -21.54480 14.53996 
1 1 1  -20   10    4 o  647.008   6.0468  1449.27   27.078  1455.74   38.346  1442.83   38.242  648.315   8.5459  645.434   8.5608 2.881775 12.09626 
1 1 1  -20   10    5 o  545.330   5.8632  1029.53   22.130  979.377   30.447  1085.70   32.220  531.776   8.2725  559.896   8.3147 -28.12006 11.72892 
1 1 1  -20   10    6 o  360.841   7.1856  450.877   17.945  417.268   29.521  470.575   22.601  346.917   12.295  368.577   8.8597 -21.66074 15.15452 
1 1 1  -20   10    7 o  625.654   6.1909  1355.36   26.808  1376.38   38.263  1335.10   37.571  630.310   8.7710  620.789   8.7444 9.520020 12.38530 
1 1 1  -20   10    8 o  221.936   12.833  171.502   19.628  171.502   19.628   0.0000   0.0000  221.936   12.833  ?   ?  0.000000 12.83319 
1 1 1  -20   10    9 o  480.631   9.2689  800.839   30.833  800.839   30.833   0.0000   0.0000  480.631   9.2689  ?   ?  0.000000 9.268919 
1 1 1  -20   10   10 f  263.843   7.8784  241.281   14.387  262.976   30.231  234.929   16.358  274.317   15.992  260.279   9.0804 14.03787 18.39026 
1 1 1  -20   10   11 o  294.945   7.6371  301.631   15.590  332.927   33.998  293.298   17.543  308.451   15.980  290.756   8.7177 17.69525 18.20345 
1 1 1  -20   10   12 o  258.575   8.4225  232.163   15.073  252.585   32.724  226.664   16.982  267.586   17.771  255.364   9.6084 12.22234 20.20202 
1 1 1  -20   10   13 o  188.614   11.662  124.697   15.149   0.0000   0.0000  124.697   15.149  ?   ?   188.614   11.662 0.000000 11.66154 
1 1 1  -20   10   14 o   71.631   22.726   18.431   12.651  -7.8000   31.880   23.334   13.782   70.910   31.705   79.395   23.455 -8.484444 39.43796 
1 1 1  -20   10   15 o   60.236   22.277   10.940   12.302  -1.4268   32.479   13.012   13.293   73.846   32.564   64.014   23.238 9.831551 40.00549 
1 1 1  -20   10   16 o  102.453   17.039   38.742   11.658   29.945   15.698   49.561   17.408   87.746   24.767  113.691   22.914 -25.94526 33.74101 
1 1 1  -20   10   17 o   35.997   16.842  -9.1520   10.467  -1.0945   14.691 -17.4571   14.915   50.161   22.017   40.126   19.163 10.03509 29.18908 
1 1 1  -20   10   18 o   45.569   20.669  -5.1500   14.107   39.307   31.925 -15.9376   15.726   94.569   35.702   41.913   19.921 52.65595 40.88350 
1 1 1  -20   10   19 o   63.968   21.774   15.883   11.536   16.999   17.124   14.955   15.610   67.956   26.028   64.851   24.848 3.104935 35.98478 
1 1 1  -20   12    1 o  372.474   5.5440  480.286   14.292  484.970   20.193  475.585   20.231  374.217   7.7964  370.575   7.8880 3.641785 11.09077 
1 1 1  -20   12    2 f  1343.32   9.5382  6251.36   88.680  6148.52  123.255  6361.73  127.686  1331.53   13.374  1354.37   13.622 -22.83679 19.08997 
1 1 1  -20   12    3 o  241.975   7.1278  202.742   11.937  172.884   16.749  233.563   17.018  223.362   10.834  259.659   9.4692 -36.29707 14.38927 
1 1 1  -20   12    4 o   73.603   19.629   19.486   10.183   18.079   14.378   20.902   14.423   73.749   24.297   77.746   24.210 -3.996880 34.29916 
1 1 1  -20   12    5 o  784.438   7.7358  2130.95   41.999  1797.56   64.400  2377.69   55.402  720.010   12.923  828.444   9.6625 -108.4343 16.13610 
1 1 1  -20   12    6 o  189.302   9.3316  124.151   12.226  147.570   17.406  101.345   17.177  205.937   12.268  170.260   14.721 35.67731 19.16275 
1 1 1  -20   12    7 o  431.329   6.2133  644.197   18.549  646.513   26.493  641.971   25.978  431.972   8.8612  430.460   8.7196 1.512268 12.43191 
1 1 1  -20   12    8 o  173.757   11.114  105.137   13.295  101.615   19.090  108.456   18.527  170.167   16.412  175.995   15.364 -5.828598 22.48140 
1 1 1  -20   12    9 o  181.127   12.816  114.499   15.963  123.659   25.360  108.488   20.543  187.208   19.876  175.686   17.112 11.52274 26.22779 
1 1 1  -20   12   10 o   92.926   20.168   31.356   12.599   9.5659   27.032   37.403   14.240   78.456   31.857  101.549   20.956 -23.09226 38.13145 
1 1 1  -20   12   11 o  389.799   6.8116  526.680   18.377  553.171   38.619  518.925   20.894  398.423   14.005  386.820   7.8043 11.60345 16.03274 
1 1 1  -20   12   12 o  252.979   9.6923  222.532   16.970  280.098   33.182  202.142   19.748  281.912   17.087  240.827   11.848 41.08554 20.79276 
1 1 1  -20   12   13 o  192.875   13.731  131.077   18.210  118.537   29.725  138.611   23.040  179.869   24.516  197.441   17.027 -17.57239 29.84840 
1 1 1  -20   12   14 o   73.281   23.849   19.161   13.869   0.0000   0.0000   19.161   13.869  ?   ?    73.281   23.849 0.000000 23.84895 
1 1 1  -20   12   15 o  118.206   16.431   50.755   13.079   93.268   33.100   42.889   14.238  152.779   32.312  107.327   19.900 45.45199 37.94823 
1 1 1  -20   12   16 o   75.746   20.876   21.851   11.295   24.580   15.098   18.380   17.023   80.091   24.742   72.941   26.325 7.150749 36.12729 
1 1 1  -20   12   17 o  133.318   12.663   63.902   11.544   56.038   16.403   71.621   16.249  121.331   20.246  139.088   17.250 -17.75623 26.59844 
1 1 1  -20   12   18 o   37.138   17.337  -8.6787   10.986 -25.2812   15.348   8.7630   15.731   37.050   18.104   59.590   24.261 -22.54001 30.27194 
1 1 1  -20   12   19 o  168.563   13.855  104.726   16.021  102.558   18.404  111.512   32.555  164.869   16.344  156.558   31.140 8.310654 35.16878 
1 1 1  -20   14    1 o  227.129   7.1443  178.630   11.231  178.630   16.106  178.629   15.668  227.058   10.249  227.064   9.9700 -0.6301880E-02 14.29823 
1 1 1  -20   14    2 o  642.458   5.9468  1428.94   26.443  1402.70   37.169  1455.84   37.627  636.399   8.4386  648.344   8.3852 -11.94592 11.89630 
1 1 1  -20   14    3 o  145.082   10.663   73.328   10.632   83.393   15.136   63.524   14.939  154.395   14.328  134.288   16.415 20.10693 21.78860 
1 1 1  -20   14    4 o  243.918   7.1978  206.013   12.151  186.656   17.173  225.422   17.196  232.091   10.691  255.085   9.7400 -22.99394 14.46239 
1 1 1  -20   14    5 o  291.516   7.6146  294.294   15.363  292.244   26.181  295.371   18.974  290.300   13.030  291.995   9.3887 -1.694977 16.06045 
1 1 1  -20   14    6 o  295.505   6.9279  302.388   14.169  298.429   19.913  306.448   20.166  293.467   9.8040  297.384   9.7976 -3.916779 13.86045 
1 1 1  -20   14    7 o  340.184   6.8020  400.772   16.015  390.667   22.611  410.944   22.686  335.737   9.7309  344.351   9.5189 -8.613922 13.61244 
1 1 1  -20   14    8 o   76.866   22.136   21.091   12.416   22.585   23.050   20.480   14.736   86.145   30.684   77.184   24.532 8.961052 39.28520 
1 1 1  -20   14    9 o  170.813   12.109  101.810   14.223   77.366   26.296  111.918   16.910  146.096   27.001  178.929   13.760 -32.83264 30.30515 
1 1 1  -20   14   10 o  319.372   7.2455  353.499   16.016  431.659   33.430  330.217   18.246  352.240   13.713  308.586   8.5429 43.65402 16.15609 
1 1 1  -20   14   11 o  348.984   7.8663  422.467   19.000  393.268   35.013  434.655   22.620  335.644   15.072  353.823   9.2371 -18.17917 17.67735 
1 1 1  -20   14   12 o  232.943   9.1045  188.630   14.679  225.902   32.392  178.998   16.466  252.451   18.671  226.750   10.492 25.70137 21.41722 
1 1 1  -20   14   13 o  103.522   18.244   39.040   12.594   33.493   27.075   40.571   14.227   97.078   33.352  105.035   20.305 -7.956917 39.04676 
1 1 1  -20   14   14 o   62.225   23.547   10.811   13.908   0.0000   0.0000   10.811   13.908  ?   ?    62.225   23.547 0.000000 23.54699 
1 1 1  -20   14   15 o   45.173   20.412  -5.9947   13.608 -23.7756   30.293  -1.4990   15.232   60.753   28.498   51.533   22.524 9.219391 36.32430 
1 1 1  -20   14   16 o  119.094   17.451   52.331   13.957   24.498   32.270   58.736   15.480   87.825   35.105  125.926   18.297 -38.10079 39.58703 
1 1 1  -20   14   17 o  122.129   13.851   54.165   11.501   32.340   16.136   76.696   16.395   89.708   25.037  144.137   16.747 -54.42893 30.12123 
1 1 1  -20   14   18 o   60.263   21.130   13.146   10.894   20.305   14.707   4.4424   16.216   72.064   24.585   56.071   23.858 15.99230 34.25854 
1 1 1  -20   14   19 o   45.176   20.519  -4.1496   13.968   32.576   25.565 -19.7781   16.677   84.412   31.929   40.918   19.726 43.49466 37.53067 
1 1 1  -20   16    1 o  475.405   5.5493  782.401   18.259  775.716   26.254  788.663   25.411  473.278   8.0149  477.225   7.6935 -3.947083 11.10982 
1 1 1  -20   16    2 o  403.493   5.6849  563.613   15.876  553.437   22.561  573.594   22.344  399.756   8.1543  406.979   7.9325 -7.223145 11.37622 
1 1 1  -20   16    3 o  650.273   6.0178  1463.93   27.084  1405.06   37.193  1530.40   39.517  636.933   8.4370  664.725   8.5894 -27.79181 12.04000 
1 1 1  -20   16    4 o  774.938   9.3109  2080.33   49.938   0.0000   0.0000  2080.33   49.938  ?   ?   774.938   9.3109 0.000000 9.310851 
1 1 1  -20   16    5 o  901.784   7.1840  2816.06   44.838  2803.89   63.375  2828.26   63.446  899.529   10.180  903.435   10.147 -3.906128 14.37292 
1 1 1  -20   16    6 o  663.581   6.3267  1524.73   29.057  1518.30   41.091  1531.16   41.094  661.984   8.9686  664.784   8.9314 -2.800110 12.65723 
1 1 1  -20   16    7 o  693.872   6.4535  1667.31   30.992  1642.25   43.314  1693.59   44.364  688.396   9.0909  699.066   9.1693 -10.66931 12.91202 
1 1 1  -20   16    8 o   75.352   22.659   20.028   12.777  -0.7361   23.390   28.860   15.254   66.514   28.486   89.307   24.114 -22.79288 37.32214 
1 1 1  -20   16    9 o  219.701   9.8332  167.428   14.952  224.634   28.552  145.811   17.551  253.441   16.365  204.509   12.459 48.93210 20.56795 
1 1 1  -20   16   10 o  172.714   12.310  104.226   14.619  123.366   28.337   97.284   17.066  186.096   22.454  166.437   14.975 19.65860 26.98991 
1 1 1  -20   16   11 o  148.305   12.975   77.225   13.184   69.659   28.667   79.255   14.847  136.590   31.030  149.995   14.482 -13.40538 34.24286 
1 1 1  -20   16   12 o  243.714   11.183  207.065   18.864  237.854   30.909  188.790   23.813  259.332   17.320  231.585   14.937 27.74707 22.87139 
1 1 1  -20   16   13 o  112.815   26.956   48.271   20.760   14.322   28.009   89.659   30.925   80.934   32.579  153.340   30.214 -72.40646 44.43295 
1 1 1  -20   16   14 o   92.382   20.543   31.906   12.795   39.259   30.489   30.335   14.096  102.244   35.377   89.624   22.700 12.62003 42.03368 
1 1 1  -20   16   15 o  130.103   16.942   61.634   14.893   75.122   34.545   58.555   16.506  133.838   36.352  125.732   19.608 8.106476 41.30280 
1 1 1  -20   16   16 o   91.688   21.301   32.335   13.259   22.785   32.697   34.215   14.506   86.531   35.071   93.894   22.595 -7.362419 41.71935 
1 1 1  -20   16   17 f  113.760   15.029   47.533   11.543   42.939   15.512   53.233   17.279  104.711   22.098  116.848   22.178 -12.13712 31.30789 
1 1 1  -20   16   18 o   87.317   21.673   30.572   13.037   28.128   14.597   40.205   28.981   82.828   24.045   94.098   34.289 -11.26947 41.87978 
1 1 1  -20   16   19 o   60.578   21.177   14.088   10.938   7.5557   14.792   21.971   16.249   55.878   23.215   72.561   25.771 -16.68334 34.68596 
1 1 1  -20   18    1 o  371.235   5.7300  477.102   14.722  477.613   21.203  476.627   20.458  371.358   8.2496  370.984   7.9676 0.3737183 11.46903 
1 1 1  -20   18    2 o  223.242   7.5344  172.579   11.641  180.469   16.880  165.422   16.076  228.212   10.687  218.492   10.631 9.719482 15.07408 
1 1 1  -20   18    3 o  257.952   6.8686  230.394   12.263  233.945   17.107  226.640   17.587  259.866   9.5114  255.763   9.9352 4.102234 13.75411 
1 1 1  -20   18    4 o  411.083   8.0978  585.281   23.039  552.195   30.645  628.293   34.941  399.149   11.093  425.718   11.859 -26.56873 16.23837 
1 1 1  -20   18    5 o  638.019   6.1466  1409.43   27.142  1354.01   37.233  1472.29   39.650  625.190   8.6048  651.911   8.7878 -26.72131 12.29915 
1 1 1  -20   18    6 o  330.410   9.5113  378.336   21.750   0.0000   0.0000  378.336   21.750  ?   ?   330.410   9.5113 0.000000 9.511279 
1 1 1  -20   18    7 o  330.850   8.0313  379.250   18.391  380.927   29.569  378.192   23.486  331.270   12.897  330.263   10.275 1.006744 16.48907 
1 1 1  -20   18    8 o  559.064   6.0736  1082.47   23.501  1092.68   46.793  1079.03   27.177  561.039   12.051  558.097   7.0358 2.941833 13.95420 
1 1 1  -20   18    9 o  134.296   15.251   63.585   13.924   71.707   26.533   60.498   16.357  140.088   28.339  130.343   18.665 9.744858 33.93363 
1 1 1  -20   18   10 o   56.859   22.622   6.0361   13.341 -13.6732   25.605   13.381   15.631   61.493   27.873   68.477   25.147 -6.983700 37.54014 
1 1 1  -20   18   11 o  145.951   13.125   74.891   13.117  109.317   29.508   66.414   14.643  173.516   25.316  136.877   15.744 36.63930 29.81243 
1 1 1  -20   18   12 o   34.906   16.939 -21.3381   12.801 -26.7415   27.332 -19.8197   14.489   57.139   26.887   39.086   18.726 18.05277 32.76583 
1 1 1  -20   18   13 f  201.796   9.9600  142.089   13.911  176.342   30.475  133.074   15.634  221.201   20.126  194.657   11.658 26.54385 23.25874 
1 1 1  -20   18   14 o   33.960   16.607 -23.8147   12.985 -24.0244   28.119 -23.7578   14.639   58.336   27.394   37.263   18.090 21.07218 32.82751 
1 1 1  -20   18   15 o   81.504   23.452   25.380   13.941   0.0000   0.0000   25.380   13.941  ?   ?    81.504   23.452 0.000000 23.45230 
1 1 1  -20   18   16 f   50.749   22.160  -0.6611   14.712   0.0000   0.0000  -0.6611   14.712  ?   ?    50.749   22.160 0.000000 22.16005 
1 1 1  -20   18   17 o   60.581   21.329   12.960   11.107   16.228   14.573   8.4302   17.156   67.413   24.353   61.329   25.194 6.084881 35.04052 
1 1 1  -20   18   18 o   38.411   17.710  -6.5050   10.934 -12.1691   14.096   2.0518   17.326   40.799   19.232   55.210   24.080 -14.41153 30.81695 
1 1 1  -20   20    1 o  627.269   5.9212  1362.19   25.706  1320.29   35.829  1406.64   36.903  617.416   8.3845  637.288   8.3667 -19.87146 11.84489 
1 1 1  -20   20    2 o  173.994   9.3468  105.178   11.214   95.657   15.866  114.684   15.853  165.475   13.985  181.424   12.705 -15.94888 18.89446 
1 1 1  -20   20    3 o  600.592   6.0094  1248.83   24.980  1139.31   33.690  1382.58   37.228  573.520   8.4873  631.789   8.5138 -58.26910 12.02163 
1 1 1  -20   20    4 o  537.420   5.8842  999.954   21.887  951.710   30.242  1053.02   31.716  524.170   8.3359  551.364   8.3111 -27.19409 11.77127 
1 1 1  -20   20    5 o  827.687   6.8653  2372.42   39.328  2305.80   54.459  2445.03   56.855  815.697   9.6464  839.948   9.7800 -24.25024 13.73688 
1 1 1  -20   20    6 o  396.689   7.0934  545.035   19.475  495.610   30.730  578.213   25.177  377.989   11.746  408.482   8.9054 -30.49307 14.74047 
1 1 1  -20   20    7 o  801.538   13.378  2231.22   74.215  2231.22   74.215   0.0000   0.0000  801.538   13.378  ?   ?  0.000000 13.37796 
1 1 1  -20   20    8 o  146.054   12.404   74.613   12.420   65.317   24.426   77.854   14.423  133.893   27.285  148.981   14.158 -15.08780 30.73951 
1 1 1  -20   20    9 o  102.391   19.566   37.869   13.360   19.180   24.544   45.737   15.926   83.806   31.372  112.458   21.240 -28.65197 37.88626 
1 1 1  -20   20   10 o   48.173   20.981  -2.1900   13.112   27.629   25.462 -12.9510   15.296   92.232   32.306   44.656   20.714 47.57618 38.37643 
1 1 1  -20   20   11 o  134.194   18.433   64.529   16.668   52.537   26.854   72.045   21.259  118.095   32.041  140.821   22.575 -22.72643 39.19456 
1 1 1  -20   20   12 o  137.079   13.421   66.444   12.569   80.976   28.170   62.832   14.045  146.613   28.788  132.768   15.581 13.84517 32.73423 
1 1 1  -20   20   13 o   66.067   22.490   14.841   12.307   63.756   28.722   3.8387   13.621  127.494   32.463   54.166   22.372 73.32825 39.42562 
1 1 1  -20   20   14 f   85.365   29.506   26.340   21.206   20.220   28.780   33.610   31.365   84.539   33.355   96.891   35.616 -12.35226 48.79600 
1 1 1  -20   20   15 o   66.527   23.720   14.963   13.778   0.0000   0.0000   14.963   13.778  ?   ?    66.527   23.720 0.000000 23.71978 
1 1 1  -20   20   16 o   60.384   22.983   10.948   13.298  -8.3805   29.117   16.043   14.948   64.621   29.457   68.106   24.655 -3.485161 38.41365 
1 1 1  -20   20   17 o   80.140   27.327   25.649   18.170   25.815   27.163   25.515   24.445   83.180   32.530   81.862   31.160 1.317909 45.04580 
1 1 1  -20   20   18 o   95.396   17.808   35.108   11.325   42.405   14.960   25.310   17.335  102.691   21.726   78.063   26.691 24.62852 34.41543 
1 1 1  -20   22    1 o  331.711   6.1183  380.956   14.046  382.575   20.008  379.383   19.725  332.334   8.6985  330.948   8.6114 1.386139 12.24010 
1 1 1  -20   22    2 o  222.041   8.8053  170.788   13.532  131.415   21.888  195.144   17.216  193.834   16.472  237.296   10.482 -43.46217 19.52437 
1 1 1  -20   22    3 o  557.547   8.1932  1076.75   31.616  1056.58   43.203  1100.00   46.391  552.069   11.307  563.243   11.900 -11.17413 16.41555 
1 1 1  -20   22    4 o   53.577   20.515   6.7437   10.636   24.582   15.123 -10.7150   14.962   83.265   24.562   45.636   20.921 37.62946 32.26402 
1 1 1  -20   22    5 o  395.548   5.9589  541.756   16.313  453.756   30.250  577.843   19.371  361.667   12.085  408.471   6.8521 -46.80447 13.89236 
1 1 1  -20   22    6 o  368.066   6.2958  469.162   16.038  486.488   31.125  462.899   18.713  374.431   12.011  365.549   7.3966 8.882202 14.10552 
1 1 1  -20   22    7 o  649.539   6.2376  1461.24   28.041  1402.44   53.416  1483.61   32.946  635.591   12.143  654.393   7.2743 -18.80219 14.15488 
1 1 1  -20   22    8 o  183.987   10.267  117.822   13.022  102.829   25.867  122.912   15.072  169.853   22.562  187.780   11.654 -17.92636 25.39398 
1 1 1  -20   22    9 o  146.193   13.980   75.085   13.973   53.415   24.593   85.415   16.980  120.247   29.721  155.679   15.986 -35.43214 33.74715 
1 1 1  -20   22   10 o  490.849   7.0401  835.516   23.917  889.756   43.010  811.236   28.776  505.444   12.295  483.414   8.6007 22.03006 15.00436 
1 1 1  -20   22   11 o  166.689   11.129   97.262   12.766  117.268   27.949   91.988   14.350  180.053   22.950  161.759   12.925 18.29367 26.33947 
1 1 1  -20   22   12 o  119.617   15.381   51.178   12.439   50.829   26.865   51.273   14.034  114.914   32.388  119.166   17.540 -4.251778 36.83233 
1 1 1  -20   22   13 o   80.767   22.671   24.392   13.192 -22.4537   28.142   37.585   14.934   59.281   27.698  100.084   22.146 -40.80336 35.46304 
1 1 1  -20   22   14 o   35.589   17.088 -16.7899   12.215  -6.0098   28.997 -19.1156   13.469   67.462   30.195   37.001   17.811 30.46114 35.05663 
1 1 1  -20   22   15 o   81.498   23.543   25.597   14.025   0.0000   0.0000   25.597   14.025  ?   ?    81.498   23.543 0.000000 23.54293 
1 1 1  -20   22   16 o  124.127   19.240   58.057   15.994   0.0000   0.0000   58.057   15.994  ?   ?   124.127   19.240 0.000000 19.23954 
1 1 1  -20   22   17 o   51.835   21.759   4.0274   13.193   1.9420   25.843   4.7624   15.342   65.178   28.879   55.469   23.384 9.708885 37.15923 
1 1 1  -20   22   18 o   80.482   20.208   25.991   11.240   37.545   15.250   12.248   16.632   95.149   23.336   62.845   25.173 32.30400 34.32532 
1 1 1  -20   24    1 o   71.153   22.312   17.448   12.227   3.8818   14.836   46.166   21.586   57.308   23.473  112.683   27.840 -55.37565 36.41465 
1 1 1  -20   24    2 o  535.817   5.9990  994.049   22.247  944.264   30.274  1052.49   32.801  522.097   8.3781  551.191   8.5982 -29.09418 12.00509 
1 1 1  -20   24    3 f  772.564   6.6426  2066.86   35.518  1945.61   48.355  2208.93   52.342  749.314   9.3240  798.393   9.4724 -49.07928 13.29144 
1 1 1  -20   24    4 o  108.662   14.140   41.681   10.382   32.420   19.310   45.447   12.313   95.226   27.659  113.223   16.173 -17.99687 32.04059 
1 1 1  -20   24    5 o  425.391   7.0345  626.787   20.711  600.976   33.326  643.028   26.436  416.217   11.569  430.752   8.8673 -14.53455 14.57619 
1 1 1  -20   24    6 f  159.590   12.274   88.929   13.453   64.390   22.458  102.665   16.802  133.406   25.247  171.289   14.304 -37.88295 29.01770 
1 1 1  -20   24    7 o  697.006   7.3303  1683.34   35.362  1572.19   58.390  1747.72   44.438  672.778   12.540  709.974   9.0435 -37.19580 15.46055 
1 1 1  -20   24    8 o  367.240   6.6471  467.294   16.895  416.976   31.295  487.992   20.071  346.288   13.058  375.203   7.7291 -28.91528 15.17365 
1 1 1  -20   24    9 o  144.046   14.637   73.086   14.390   56.683   25.594   80.668   17.401  123.590   30.182  150.983   16.945 -27.39273 34.61299 
1 1 1  -20   24   10 o   64.713   26.739   5.0454   19.469 -20.7561   25.810   39.107   29.656   57.928   26.884  105.044   34.908 -47.11506 44.06005 
1 1 1  -20   24   11 o  216.578   8.9254  163.155   13.379  193.658   28.422  154.472   15.164  233.583   17.713  210.543   10.406 23.03925 20.54337 
1 1 1  -20   24   12 f  180.318   10.314  113.864   12.818  103.756   27.724  116.612   14.456  167.508   24.651  182.224   11.521 -14.71581 27.21055 
1 1 1  -20   24   13 o  113.701   15.781   46.691   12.084   54.683   28.167   44.888   13.377  117.220   33.206  110.744   18.076 6.475731 37.80772 
1 1 1  -20   24   14 o   71.208   22.240   18.741   12.161   60.195   27.014   8.2044   13.619  121.961   31.708   58.293   22.962 63.66769 39.14922 
1 1 1  -20   24   15 o   88.590   22.133   30.353   13.532   20.410   27.150   33.639   15.609   81.477   32.317   92.661   24.108 -11.18399 40.31864 
1 1 1  -20   24   16 o   67.997   28.857   8.1159   23.613   0.0000   0.0000   8.1159   23.613  ?   ?    67.997   28.857 0.000000 28.85661 
1 1 1  -20   24   17 o   49.788   21.319   2.1980   13.097   1.0044   26.854   2.5706   15.003   65.240   29.139   52.889   22.737 12.35146 36.96003 
1 1 1  -20   24   18 o   67.245   24.490   17.584   14.781 -34.3268   29.874   34.411   17.008   52.427   25.539   88.948   25.994 -36.52132 36.44091 
1 1 1  -20   26    1 o   67.975   23.309   14.735   13.221   1.4800   23.645   20.764   15.946   68.574   28.976   78.472   25.574 -9.898491 38.64780 
1 1 1  -20   26    2 o  122.361   19.438   53.396   15.911   48.380   21.665   59.268   23.444  115.256   27.536  127.717   27.347 -12.46060 38.80834 
1 1 1  -20   26    3 o  706.395   7.2558  1728.37   35.474  1624.88   57.470  1792.07   45.089  684.365   12.133  719.114   9.0593 -34.74817 15.14219 
1 1 1  -20   26    4 o  348.796   7.2247  421.415   17.441  407.220   28.930  429.520   21.860  342.564   12.202  352.042   8.9716 -9.477448 15.14538 
1 1 1  -20   26    5 o  233.357   9.6242  188.802   15.544  201.463   24.662  180.457   20.021  240.282   14.903  227.625   12.760 12.65750 19.61944 
1 1 1  -20   26    6 o  334.445   6.6134  387.461   15.308  357.561   29.165  398.832   17.985  320.811   13.135  339.259   7.6595 -18.44794 15.20517 
1 1 1  -20   26    7 o  457.450   6.2352  724.904   19.741  683.415   37.382  740.950   23.247  443.526   12.178  462.401   7.2640 -18.87424 14.17966 
1 1 1  -20   26    8 o  408.731   7.2135  579.094   20.406  528.293   34.156  607.290   25.446  389.715   12.663  418.394   8.7875 -28.67981 15.41362 
1 1 1  -20   26    9 o   54.985   22.184   4.9258   13.018   25.400   23.387  -4.2659   15.670   88.370   30.961   51.227   22.603 37.14386 38.33344 
1 1 1  -20   26   10 o  205.206   10.666  147.028   15.096  147.707   27.359  146.731   18.100  203.547   19.665  204.590   12.848 -1.042709 23.49020 
1 1 1  -20   26   11 o   81.385   20.911   24.518   11.842   21.556   25.738   25.314   13.338   85.199   32.081   82.675   22.643 2.524345 39.26669 
1 1 1  -20   26   12 o   77.795   22.130   22.461   12.483   38.546   26.447   17.851   14.159  101.108   32.935   71.686   24.124 29.42239 40.82540 
1 1 1  -20   26   13 o  149.831   12.176   79.470   12.518   96.439   28.499   75.414   13.934  158.962   26.861  145.402   14.020 13.55948 30.29959 
1 1 1  -20   26   14 o  114.061   18.104   48.047   13.814   0.0000   0.0000   48.047   13.814  ?   ?   114.061   18.104 0.000000 18.10369 
1 1 1  -20   26   15 o  106.287   18.301   42.292   12.977   21.171   27.367   48.418   14.739   81.765   32.441  113.355   19.490 -31.58995 37.84565 
1 1 1  -20   26   16 o   72.396   25.487   19.633   15.859   0.0000   0.0000   19.633   15.859  ?   ?    72.396   25.487 0.000000 25.48703 
1 1 1  -20   26   17 o   68.758   23.243   18.395   13.144   45.902   28.976   11.268   14.749   98.997   34.475   60.838   23.918 38.15812 41.95927 
1 1 1  -20   26   18 o  123.377   18.211   59.354   15.083  107.268   28.729   41.122   17.722  156.412   27.545   96.718   25.940 59.69337 37.83635 
1 1 1  -20   28    2 f  184.710   9.0553  118.244   11.576  116.683   22.308  118.820   13.543  182.227   17.919  184.802   10.633 -2.574997 20.83628 
1 1 1  -20   28    3 o  655.748   12.019  1492.19   54.549  1492.19   54.549   0.0000   0.0000  655.748   12.019  ?   ?  0.000000 12.01907 
1 1 1  -20   28    4 o  205.817   16.474  148.342   23.270  148.342   23.270   0.0000   0.0000  205.817   16.474  ?   ?  0.000000 16.47376 
1 1 1  -20   28    5 o  267.213   9.7885  247.629   18.103  256.878   26.974  240.049   24.420  271.438   14.410  262.495   13.487 8.943481 19.73657 
1 1 1  -20   28    6 o  285.208   8.4786  282.011   16.736  283.951   28.529  280.993   20.666  285.323   14.494  284.554   10.494 0.7687988 17.89408 
1 1 1  -20   28    7 o  237.505   9.6145  195.749   15.804  185.610   26.130  201.597   19.846  230.073   16.520  240.849   11.905 -10.77586 20.36270 
1 1 1  -20   28    8 o  246.262   9.0092  210.507   15.355  238.537   26.624  196.535   18.797  261.065   14.796  237.731   11.424 23.33444 18.69287 
1 1 1  -20   28    9 o  293.347   11.048  299.567   22.431  287.268   29.302  316.976   34.862  286.210   14.843  300.120   16.852 -13.91083 22.45641 
1 1 1  -20   28   10 o  156.292   13.210   86.052   14.155  102.878   25.819   78.821   16.926  168.322   22.745  148.723   16.734 19.59894 28.23768 
1 1 1  -20   28   11 o  184.004   10.147  118.472   12.873  145.756   26.906  110.373   14.659  201.341   19.555  177.183   12.025 24.15741 22.95617 
1 1 1  -20   28   12 o  108.572   16.641   42.783   12.106   31.766   26.438   45.706   13.618   93.910   32.918  111.809   18.225 -17.89969 37.62655 
1 1 1  -20   28   13 o   61.989   21.885   12.721   11.702 -19.0781   27.020   20.062   12.982   58.691   27.328   73.651   22.974 -14.95992 35.70174 
1 1 1  -20   28   14 o   63.235   23.024   13.010   13.062   35.771   26.121   5.4209   15.083   95.258   32.757   57.046   23.550 38.21275 40.34445 
1 1 1  -20   28   15 o   38.850   18.974 -28.1364   16.792 -29.1951   26.040 -27.3827   21.970   52.110   25.002   47.258   22.748 4.852493 33.80217 
1 1 1  -20   28   16 o   80.058   23.536   25.649   13.907   21.824   28.885   26.804   15.867   80.815   32.886   81.439   25.398 -0.6246872 41.55161 
1 1 1  -20   28   17 o   98.923   22.771   39.925   15.267   0.0000   0.0000   39.925   15.267  ?   ?    98.923   22.771 0.000000 22.77092 
1 1 1  -20   30    1 o  813.700   7.8391  2294.08   44.148  2095.12   70.373  2423.20   56.691  776.763   13.090  835.997   9.7979 -59.23468 16.35077 
1 1 1  -20   30    2 f  777.884   6.5829  2095.87   35.442  1947.32   66.577  2154.61   41.867  748.876   12.845  788.585   7.6709 -39.70917 14.96121 
1 1 1  -20   30    3 o  208.594   8.5062  150.809   12.281   99.707   23.386  170.266   14.430  167.758   20.573  221.604   9.4085 -53.84554 22.62199 
1 1 1  -20   30    4 o  278.120   7.4571  268.021   14.354  301.366   28.104  256.252   16.696  294.456   13.790  271.872   8.8731 22.58365 16.39807 
1 1 1  -20   30    5 o  457.621   11.883  727.317   37.636  727.317   37.636   0.0000   0.0000  457.621   11.883  ?   ?  0.000000 11.88283 
1 1 1  -20   30    6 o  436.156   7.1365  659.292   21.543  614.146   35.312  686.056   27.189  420.367   12.137  444.745   8.8328 -24.37784 15.01096 
1 1 1  -20   30    7 o   90.550   21.941   29.988   13.606   19.302   23.263   35.544   16.775   82.468   30.607   98.406   24.675 -15.93777 39.31475 
1 1 1  -20   30    8 o   71.846   27.000   14.059   18.214  -3.7205   22.853   45.020   30.157   63.092   27.582  111.188   35.068 -48.09566 44.61555 
1 1 1  -20   30    9 o  106.868   18.742   41.423   13.357   52.341   23.003   35.869   16.406  118.043   28.483   98.285   24.264 19.75747 37.41624 
1 1 1  -20   30   10 o  133.433   14.690   63.280   13.342   55.463   24.004   66.774   16.049  120.745   29.072  136.415   17.395 -15.66939 33.87871 
1 1 1  -20   30   11 o  215.858   9.6225  162.558   14.376  204.293   26.909  145.889   17.006  239.661   16.320  203.664   12.119 35.99736 20.32788 
1 1 1  -20   30   12 o  181.138   10.197  115.170   12.731  150.488   27.801  105.797   14.322  203.333   20.014  173.105   12.028 30.22838 23.35069 
1 1 1  -20   30   13 f  109.556   16.705   43.923   12.266   4.3132   28.915   52.613   13.545   72.874   31.447  120.080   16.754 -47.20641 35.63126 
1 1 1  -20   30   14 o   75.699   21.806   21.935   12.047   31.517   25.295   19.124   13.701   90.337   32.147   71.819   23.720 18.51800 39.95078 
1 1 1  -20   30   15 o  139.115   13.551   69.962   12.882   84.049   26.147   65.447   14.803  144.215   27.193  133.212   16.402 11.00336 31.75663 
1 1 1  -20   30   16 o  158.881   12.504   91.115   13.639  136.927   26.090   73.890   15.999  189.092   20.251  140.682   16.761 48.40997 26.28724 
1 1 1  -20   30   17 o   51.950   23.210  -1.2138   17.051   0.0000   0.0000  -1.2138   17.051  ?   ?    51.950   23.210 0.000000 23.21000 
1 1 1  -20   32    1 o   65.787   21.504   14.559   11.271 -13.8146   21.902   24.779   13.145   56.007   25.537   82.782   22.399 -26.77448 33.96842 
1 1 1  -20   32    2 o  109.077   15.679   42.242   11.496   42.785   23.070   42.062   13.260  108.382   29.819  108.367   18.333 0.1439667E-01 35.00425 
1 1 1  -20   32    3 o  421.555   6.8542  615.676   19.998  586.341   34.751  630.201   24.453  410.877   12.220  426.385   8.2861 -15.50824 14.76444 
1 1 1  -20   32    4 f  258.243   8.6280  231.237   15.421  267.366   28.138  215.727   18.436  276.777   14.742  249.301   10.685 27.47595 18.20700 
1 1 1  -20   32    5 o  109.759   16.581   42.949   12.203   33.878   23.727   46.211   14.230   98.140   31.122  113.513   18.768 -15.37370 36.34288 
1 1 1  -20   32    6 o  299.739   7.1470  311.458   14.827  267.854   28.071  328.329   17.461  276.797   14.706  307.664   8.2000 -30.86737 16.83739 
1 1 1  -20   32    7 o   55.838   22.470   5.2602   13.319   2.9590   23.513   6.3476   16.163   68.695   28.954   61.335   24.728 7.360699 38.07607 
1 1 1  -20   32    8 o  151.095   18.415   81.539   18.859   75.220   23.763   92.293   30.997  143.237   24.873  157.463   29.527 -14.22601 38.60689 
1 1 1  -20   32    9 o  194.564   12.734  132.944   17.053  143.171   25.314  124.447   23.074  200.375   18.461  186.824   18.071 13.55191 25.83281 
1 1 1  -20   32   10 o  206.957   9.3048  149.250   13.328  153.171   25.777  147.819   15.571  206.924   18.183  205.398   10.993 1.526749 21.24781 
1 1 1  -20   32   11 o  196.340   9.6070  134.606   13.055   96.927   27.834  145.233   14.782  160.531   25.936  203.497   10.531 -42.96652 27.99238 
1 1 1  -20   32   12 o  124.669   14.627   55.836   12.381   77.220   26.598   49.921   13.989  140.899   28.258  116.730   17.885 24.16880 33.44275 
1 1 1  -20   32   13 o  121.670   14.674   53.493   12.108   92.146   26.034   42.826   13.677  154.848   25.155  107.079   19.157 47.76860 31.61934 
1 1 1  -20   32   14 o  114.160   25.557   51.774   19.690   20.761   26.161   92.293   29.903   80.561   31.796  150.399   29.781 -69.83798 43.56457 
1 1 1  -20   32   15 o  138.649   11.115   68.659   10.576   57.963   13.232   87.583   17.599  125.438   15.576  153.820   16.805 -28.38148 22.91321 
1 1 1  -20   32   16 o   39.267   17.809  -4.2716   10.472 -18.3465   13.378   18.006   16.830   36.338   17.555   69.881   26.014 -33.54314 31.38335 
1 1 1  -20   32   17 o   54.499   21.773   8.5765   12.408   17.307   18.587   1.5583   16.664   68.373   26.859   53.049   23.363 15.32405 35.59834 
1 1 1  -20   34    1 o  359.501   6.3121  447.709   15.705  439.171   31.061  450.641   18.204  355.507   12.624  360.614   7.2936 -5.107178 14.57944 
1 1 1  -20   34    2 o  208.564   8.7556  150.840   12.639  127.219   24.536  159.371   14.745  189.915   18.919  214.317   9.9408 -24.40259 21.37161 
1 1 1  -20   34    3 o  304.468   6.8610  321.225   14.458  313.512   29.374  323.691   16.609  300.141   14.140  305.571   7.8533 -5.429596 16.17480 
1 1 1  -20   34    4 o  194.327   9.5420  131.051   12.834  129.024   25.848  131.715   14.785  190.933   19.850  194.416   11.033 -3.483231 22.71010 
1 1 1  -20   34    5 o  282.709   7.5594  277.143   14.791  279.220   28.869  276.404   17.224  282.579   14.813  282.229   8.8175 0.3494873 17.23845 
1 1 1  -20   34    6 o  183.428   10.209  117.303   12.909   64.146   24.738  137.193   15.132  131.659   28.009  198.294   11.070 -66.63570 30.11713 
1 1 1  -20   34    7 o  171.152   13.245  102.875   15.567  109.902   24.265   97.959   20.295  175.252   20.386  165.964   17.954 9.287552 27.16513 
1 1 1  -20   34    8 o  161.883   11.448   91.874   12.744   71.463   23.682  100.193   15.119  138.947   25.569  168.774   13.045 -29.82726 28.70387 
1 1 1  -20   34    9 o  167.791   11.111   98.749   12.830  126.683   24.718   88.448   15.010  187.824   19.288  158.157   13.852 29.66695 23.74698 
1 1 1  -20   34   10 o  134.822   14.581   64.809   13.389   60.976   24.674   66.409   15.940  125.838   28.935  135.682   17.373 -9.843987 33.74930 
1 1 1  -20   34   11 o  229.288   8.5442  183.372   13.559  178.634   28.313  184.782   15.445  222.397   18.564  229.905   9.7068 -7.508347 20.94861 
1 1 1  -20   34   12 o   61.671   21.750   12.683   11.554   18.776   24.448   10.931   13.110   79.419   30.916   60.909   22.904 18.51073 38.47567 
1 1 1  -20   34   13 o   79.155   17.935   23.594   9.5980   35.510   12.690   7.6638   14.673   96.921   19.591   58.639   23.589 38.28156 30.66319 
1 1 1  -20   34   14 o   95.350   15.450   33.594   9.8468   28.388   12.836   41.037   15.349   85.282   21.695  102.564   22.262 -17.28118 31.08503 
1 1 1  -20   34   15 o   48.294   19.363   5.2987   9.8504   17.998   12.309 -17.3220   16.428   68.502   22.476   42.475   20.237 26.02628 30.24412 
1 1 1  -20   34   16 o   76.398   23.950   23.959   14.089   26.346   26.465   23.015   16.643   80.932   31.968   75.176   26.131 5.755554 41.28868 
1 1 1  -20   36    1 o  118.071   16.290   49.530   12.958   0.0000   0.0000   49.530   12.958  ?   ?   118.071   16.290 0.000000 16.29020 
1 1 1  -20   36    2 o  311.626   6.7066  336.539   14.465  284.976   28.031  355.254   16.887  286.054   14.158  320.106   7.6221 -34.05215 16.07953 
1 1 1  -20   36    3 o   75.428   22.610   20.253   12.736   5.1122   23.555   26.509   15.141   70.608   29.312   85.574   24.382 -14.96660 38.12753 
1 1 1  -20   36    4 o  113.156   15.594   45.535   11.888   68.244   25.142   38.996   13.492  136.175   27.620  103.779   19.499 32.39550 33.80997 
1 1 1  -20   36    5 o  358.576   6.6689  445.810   16.550  361.415   30.987  479.494   19.577  321.814   13.912  371.767   7.6083 -49.95291 15.85689 
1 1 1  -20   36    6 o  275.664   7.4880  263.728   14.286  258.049   27.970  265.733   16.617  271.118   14.964  276.573   8.6812 -5.455505 17.29969 
1 1 1  -20   36    7 o  260.112   7.8847  235.023   14.195  232.293   26.447  236.127   16.823  256.927   14.937  260.525   9.3299 -3.598297 17.61133 
1 1 1  -20   36    8 o  122.404   14.746   53.382   12.241   34.063   22.871   61.138   14.492   96.176   30.562  130.699   16.380 -34.52339 34.67446 
1 1 1  -20   36    9 o  308.378   7.2245  330.554   15.419  289.707   28.899  346.810   18.231  286.382   14.629  315.635   8.3456 -29.25363 16.84223 
1 1 1  -20   36   10 o  259.750   7.9700  234.987   14.328  272.098   29.184  223.200   16.447  276.755   15.295  252.837   9.3987 23.91838 17.95213 
1 1 1  -20   36   11 o   49.019   21.195  -0.3693   13.188  -4.2961   26.641   0.9052   15.178   65.670   29.198   53.496   22.930 12.17434 37.12545 
1 1 1  -20   36   12 o   86.048   16.842   27.484   9.6709   28.778   12.676   25.682   14.958   86.796   21.268   81.812   24.498 4.983452 32.44249 
1 1 1  -20   36   13 o  136.467   13.219   66.933   12.329   63.669   13.539   82.780   29.833  132.348   15.048  141.237   31.338 -8.888748 34.76363 
1 1 1  -20   36   14 o   83.632   18.025   26.662   10.126   36.241   12.928   11.461   16.286   97.001   19.923   63.529   25.083 33.47165 32.03265 
1 1 1  -20   36   15 o   76.955   23.152   23.806   13.336   33.839   24.391   19.527   15.928   88.728   31.568   71.494   25.502 17.23312 40.58213 
1 1 1  -20   36   16 o   89.597   18.175   31.427   10.885   24.043   14.330   41.499   16.736   75.907   24.198   99.011   24.545 -23.10336 34.46802 
1 1 1  -20   38    1 o  360.759   7.2965  451.287   18.218   0.0000   0.0000  451.287   18.218  ?   ?   360.759   7.2965 0.000000 7.296453 
1 1 1  -20   38    2 o  206.043   10.536  147.939   14.975   0.0000   0.0000  147.939   14.975  ?   ?   206.043   10.536 0.000000 10.53643 
1 1 1  -20   38    3 o  227.645   8.4278  179.875   13.279  186.390   27.049  177.806   15.242  230.042   17.111  226.218   9.7347 3.823654 19.68658 
1 1 1  -20   38    4 o   86.854   20.000   27.630   11.774   44.985   24.650   22.500   13.402  109.949   31.036   78.876   23.080 31.07351 38.67713 
1 1 1  -20   38    5 o  336.043   6.8762  391.774   15.993  361.610   31.088  402.629   18.650  321.582   13.968  340.528   7.9130 -18.94617 16.05349 
1 1 1  -20   38    6 o  170.530   15.305  102.871   17.871   75.024   25.360  130.342   25.188  142.071   26.773  190.979   19.322 -48.90849 33.01687 
1 1 1  -20   38    7 o  377.248   6.5444  493.999   17.087  505.366   33.165  489.891   19.937  379.998   12.610  375.463   7.6722 4.535400 14.76079 
1 1 1  -20   38    8 o   99.373   18.322   36.144   12.137   19.444   22.269   43.201   14.476   80.024   29.898  108.376   20.037 -28.35251 35.99084 
1 1 1  -20   38    9 o  122.542   16.020   54.083   13.262   72.244   24.093   46.188   15.885  138.091   26.167  111.433   21.374 26.65828 33.78690 
1 1 1  -20   38   10 o  127.586   12.152   57.765   10.601   55.612   14.098   60.565   16.081  123.753   16.901  128.628   18.603 -4.875809 25.13443 
1 1 1  -20   38   11 o  199.318   8.3808  138.769   11.561  139.045   15.298  138.400   17.655  198.501   11.180  197.372   12.997 1.128830 17.14425 
1 1 1  -20   38   12 o  134.872   11.422   64.674   10.561   61.901   13.219   69.568   17.561  130.726   14.875  136.833   19.061 -6.107101 24.17864 
1 1 1  -20   38   13 o  127.074   12.012   57.857   10.439   61.609   13.767   52.780   16.013  129.675   15.656  117.674   20.401 12.00157 25.71645 
1 1 1  -20   38   14 o   84.825   18.097   27.566   10.301   15.554   13.272   45.764   16.335   65.544   23.290  107.435   22.681 -41.89042 32.50892 
1 1 1  -20   38   15 o  111.383   14.234   45.879   10.722   37.531   14.012   57.673   16.655   96.779   21.480  121.200   20.592 -24.42062 29.75586 
1 1 1  -20   40    1 o  113.244   15.034   45.614   11.492   42.463   23.980   46.553   13.093  107.011   30.748  113.983   17.126 -6.971626 35.19624 
1 1 1  -20   40    2 o   76.210   24.091   20.469   14.226   0.0000   0.0000   20.469   14.226  ?   ?    76.210   24.091 0.000000 24.09090 
1 1 1  -20   40    3 f  276.667   8.4912  265.896   16.259   0.0000   0.0000  265.896   16.259  ?   ?   276.667   8.4912 0.000000 8.491216 
1 1 1  -20   40    4 o  245.925   8.0454  210.077   13.694  183.561   27.492  218.827   15.793  227.636   17.586  250.863   9.0958 -23.22708 19.79896 
1 1 1  -20   40    5 o   85.196   19.800   26.745   11.453   31.649   23.319   25.186   13.148   93.998   30.941   82.600   22.423 11.39820 38.21163 
1 1 1  -20   40    6 o  130.678   13.648   60.516   12.162   59.171   23.715   60.995   14.166  124.992   28.097  130.635   16.003 -5.643539 32.33471 
1 1 1  -20   40    7 o  176.808   10.245  109.472   12.483   56.244   23.996  129.223   14.617  121.118   29.008  191.967   11.048 -70.84951 31.04082 
1 1 1  -20   40    8 o  103.205   17.985   38.983   12.380   33.259   23.005   41.316   14.688   94.369   30.716  105.454   20.863 -11.08483 37.13118 
1 1 1  -20   40    9 o   46.356   19.035   3.0126   9.7884  -5.2775   12.481   16.260   15.777   43.653   19.652   70.456   25.355 -26.80219 32.07928 
1 1 1  -20   40   10 f  141.044   11.960   70.563   11.565   80.732   16.406   60.521   16.304  149.520   16.108  128.173   18.951 21.34756 24.87158 
1 1 1  -20   40   11 o  175.374   9.1641  108.041   11.085   90.675   14.259  134.568   17.622  159.382   13.040  194.294   13.183 -34.91264 18.54264 
1 1 1  -20   40   12 f   83.523   17.837   26.329   9.9975   35.601   12.746   11.504   16.117   96.712   19.711   64.008   25.051 32.70323 31.87587 
1 1 1  -20   40   13 o   33.271   15.688  -9.3855   9.3905 -35.7284   12.385   26.235   14.402   28.199   14.176   81.227   23.971 -53.02740 27.84938 
1 1 1  -20   40   14 f   35.337   17.021 -16.4900   12.353   16.590   23.660 -28.8862   14.484   73.071   29.752   34.144   16.861 38.92642 34.19809 
1 1 1  -20   40   15 o   44.604   19.161   1.5039   10.641  -6.0977   14.050   11.732   16.297   44.168   20.257   61.970   24.884 -17.80191 32.08718 
1 1 1  -20   42    1 o   77.322   21.467   21.894   11.896   38.200   22.276   15.389   14.070  101.344   29.785   68.890   24.022 32.45402 38.26510 
1 1 1  -20   42    2 o  258.350   7.4324  231.752   13.290  223.317   27.539  234.313   15.173  251.624   15.895  259.647   8.4435 -8.022995 17.99831 
1 1 1  -20   42    3 o   83.769   21.558   25.940   12.572   29.546   24.871   24.702   14.570   92.553   31.956   82.124   24.075 10.42921 40.01030 
1 1 1  -20   42    4 o  165.236   12.192   95.961   13.844   0.0000   0.0000   95.961   13.844  ?   ?   165.236   12.192 0.000000 12.19175 
1 1 1  -20   42    5 o  140.233   15.154   69.999   14.474   86.000   23.144   59.720   18.549  153.300   22.481  127.486   21.806 25.81406 31.31970 
1 1 1  -20   42    6 o  147.833   12.095   77.052   12.267   67.854   24.322   80.190   14.206  133.835   27.185  150.421   13.799 -16.58607 30.48653 
1 1 1  -20   42    7 o   94.050   18.977   32.694   11.927   16.239   23.023   38.730   13.944   77.264   30.023  102.142   20.438 -24.87807 36.31923 
1 1 1  -20   42    8 o   82.261   22.258   25.501   12.980  -1.3585   23.706   37.001   15.512   64.177   28.074   98.775   23.102 -34.59815 36.35719 
1 1 1  -20   42    9 o   97.881   15.706   34.931   10.280   44.268   13.317   21.163   16.171  109.609   18.192   76.529   25.781 33.07965 31.55354 
1 1 1  -20   42   10 o  104.973   15.443   40.168   10.885   38.246   13.136   44.380   19.443  100.953   19.506  106.113   26.542 -5.160507 32.93892 
1 1 1  -20   42   11 o   88.188   20.017   29.692   11.938   18.508   13.159   81.707   28.379   70.635   23.242  141.683   29.881 -71.04852 37.85562 
1 1 1  -20   42   12 o  102.661   14.537   38.602   10.040   48.136   13.570   27.070   14.924  113.378   17.887   82.658   24.404 30.72054 30.25728 
1 1 1  -20   42   13 f   46.271   19.006   3.7866   9.7614   16.261   13.196 -11.2877   14.506   66.411   23.257   42.380   19.829 24.03114 30.56284 
1 1 1  -20   42   14 o  100.734   14.986   37.891   10.130   23.820   14.017   53.274   14.656   76.407   23.879  117.647   18.619 -41.24003 30.27985 
1 1 1  -20   44    1 o  117.279   15.791   49.259   12.492   6.3659   23.403   66.349   14.772   70.254   29.196  136.363   15.953 -66.10925 33.27003 
1 1 1  -20   44    2 o  181.139   9.7884  114.664   12.226  105.024   24.921  117.720   14.030  170.104   21.659  183.288   11.113 -13.18436 24.34338 
1 1 1  -20   44    3 f  190.341   9.3514  126.213   12.319  120.049   24.713  128.251   14.211  182.540   19.882  191.370   10.773 -8.829987 22.61336 
1 1 1  -20   44    4 o   74.128   21.166   20.224   11.397  -1.7024   22.743   27.577   13.170   63.350   27.610   85.973   22.033 -22.62309 35.32390 
1 1 1  -20   44    5 o   89.031   22.005   29.685   13.481   0.0000   0.0000   29.685   13.481  ?   ?    89.031   22.005 0.000000 22.00453 
1 1 1  -20   44    6 o  309.573   7.1272  333.288   15.271  324.244   29.405  336.627   17.869  303.211   14.012  310.846   8.3059 -7.635284 16.28878 
1 1 1  -20   44    7 o   70.506   23.069   17.789   12.970   39.078   23.745   8.7376   15.484  100.345   31.033   61.625   24.417 38.72018 39.48743 
1 1 1  -20   44    8 o  190.671   8.6609  126.962   11.429  137.304   15.294  113.879   17.201  197.367   11.242  178.764   14.015 18.60278 17.96698 
1 1 1  -20   44    9 o  131.053   18.706   63.365   16.486   0.0000   0.0000   63.365   16.486  ?   ?   131.053   18.706 0.000000 18.70610 
1 1 1  -20   44   10 o   82.263   18.008   25.480   9.9687   21.265   12.794   31.993   15.904   74.740   22.719   90.280   24.726 -15.53952 33.57853 
1 1 1  -20   44   11 o  112.772   13.375   46.019   10.236   71.546   13.840   15.200   15.207  140.471   14.441   67.168   24.783 73.30280 28.68338 
1 1 1  -20   44   12 o   61.044   19.796   13.846   9.5591   1.9954   13.036   27.632   14.060   49.881   21.312   83.211   23.422 -33.32967 31.66647 
1 1 1  -20   44   13 o   38.304   17.902  -9.2414   11.769   5.5756   19.781 -17.3604   14.643   61.029   26.168   39.188   18.788 21.84017 32.21437 
1 1 1  -20   44   14 o   37.549   17.190  -4.9722   10.054 -11.8672   13.701   3.0729   14.799   39.974   18.878   52.250   22.522 -12.27618 29.38789 
1 1 1  -20   46    1 o   99.138   16.937   35.732   11.204   24.707   23.410   39.007   12.760   86.000   30.891  103.248   18.538 -17.24811 36.02654 
1 1 1  -20   46    2 o  129.429   12.859   59.346   11.366   58.732   22.850   59.548   13.102  124.207   27.323  129.137   14.935 -4.930168 31.13814 
1 1 1  -20   46    3 o  146.781   11.515   75.889   11.604   72.780   23.204   76.925   13.400  139.395   24.968  147.364   13.281 -7.969498 28.28052 
1 1 1  -20   46    4 o  190.980   11.671  128.311   15.352  119.024   24.231  134.538   19.843  181.223   19.633  194.614   14.844 -13.39093 24.61290 
1 1 1  -20   46    5 o  171.978   10.455  103.866   12.385   70.195   24.407  115.541   14.373  135.484   26.977  181.143   11.524 -45.65910 29.33519 
1 1 1  -20   46    6 o  320.254   8.0985  357.529   17.951   0.0000   0.0000  357.529   17.951  ?   ?   320.254   8.0985 0.000000 8.098537 
1 1 1  -20   46    7 o   65.681   21.327   15.489   11.093   22.800   16.438   9.3758   15.031   78.742   25.980   61.466   24.152 17.27597 35.47228 
1 1 1  -20   46    8 o  147.309   10.702   76.666   10.837   64.152   14.450   92.751   16.383  132.959   16.026  160.639   14.905 -27.67964 21.88586 
1 1 1  -20   46    9 o  231.712   9.3469  188.336   14.990  183.854   26.351  190.480   18.226  224.881   17.057  232.291   11.336 -7.410751 20.48080 
1 1 1  -20   46   10 o  258.561   8.1768  234.105   14.633  229.892   16.768  247.561   29.966  255.709   9.4744  260.618   16.701 -4.908493 19.20108 
1 1 1  -20   46   11 o   57.092   19.961   11.338   9.7186   7.1890   12.851   16.881   14.854   55.075   22.104   68.579   24.610 -13.50449 33.07916 
1 1 1  -20   46   12 o   39.636   17.681  -2.5446   9.8539   11.526   13.844 -16.9938   14.029   60.702   23.366   38.355   18.389 22.34680 29.73414 
1 1 1  -20   46   13 o   87.931   18.335   30.123   10.797   26.576   14.828   34.127   15.752   79.975   24.489   90.260   24.560 -10.28554 34.68304 
1 1 1  -20   48    1 o  137.582   12.227   66.965   11.522   57.902   23.026   69.992   13.307  122.643   27.772  140.246   13.892 -17.60265 31.05249 
1 1 1  -20   48    2 o   76.173   20.704   21.640   11.201   8.8195   21.998   26.128   13.014   69.689   28.567   83.373   22.170 -13.68398 36.16087 
1 1 1  -20   48    3 o   66.451   23.531   14.543   13.537   6.7854   20.569   20.470   17.979   66.246   27.437   77.220   27.141 -10.97385 38.59354 
1 1 1  -20   48    4 o   94.502   18.502   33.066   11.668   34.859   22.954   32.441   13.549   95.476   30.646   92.762   21.521 2.713295 37.44745 
1 1 1  -20   48    5 o  118.766   14.599   50.726   11.747   22.805   22.798   60.819   13.707   82.423   30.355  129.885   15.557 -47.46152 34.10944 
1 1 1  -20   48    6 o   94.310   19.541   33.336   12.336   45.922   22.480   27.913   14.756  107.489   29.378   85.372   23.983 22.11657 37.92456 
1 1 1  -20   48    7 o  273.425   7.6530  260.851   14.483  253.415   22.501  266.111   18.924  267.844   12.138  275.400   9.9281 -7.555664 15.68095 
1 1 1  -20   48    8 o  139.640   12.441   69.617   11.898   97.024   17.886   47.861   15.935  163.507   16.011  112.159   21.307 51.34721 26.65199 
1 1 1  -20   48    9 o   70.956   21.863   19.130   11.798   14.748   13.665   31.961   23.381   65.561   23.596   89.679   30.983 -24.11867 38.94523 
1 1 1  -20   48   10 o   85.053   17.778   27.452   10.128   30.764   13.473   23.150   15.358   88.467   22.076   77.066   25.097 11.40102 33.42471 
1 1 1  -20   48   11 o   84.147   17.603   27.042   9.9225   38.409   13.316   12.848   14.879   99.505   20.028   63.319   24.260 36.18635 31.45914 
1 1 1  -20   48   12 o  115.421   16.969   50.400   13.151   54.585   23.371   48.460   15.908  111.055   29.790  110.363   21.600 0.6920776 36.79662 
1 1 1  -20   48   13 o   36.587   17.070  -7.7344   10.629 -11.7710   14.575  -3.1484   15.535   41.412   19.531   48.276   21.812 -6.863647 29.27835 
1 1 1  -20   50    1 o   84.629   21.581   27.064   12.680   61.171   22.704   11.603   15.286  125.856   26.882   64.414   24.611 61.44129 36.44606 
1 1 1  -20   50    2 f   53.271   20.754   6.9080   11.024   36.722   21.212  -4.1249   12.904   97.192   29.189   45.335   20.228 51.85716 35.51275 
1 1 1  -20   50    3 o  196.415   9.3555  134.914   12.718  168.976   24.599  122.488   14.858  216.871   16.513  186.294   11.581 30.57657 20.16894 
1 1 1  -20   50    4 o  104.405   16.642   39.900   11.622   15.673   22.124   49.133   13.658   74.895   29.339  115.748   17.603 -40.85356 34.21513 
1 1 1  -20   50    5 o  125.615   14.761   56.907   12.588   79.268   22.935   47.266   15.059  144.461   23.765  112.399   20.096 32.06185 31.12276 
1 1 1  -20   50    6 o  158.613   9.4302   88.492   10.306   77.073   13.532  104.259   15.902  146.733   13.476  170.796   13.564 -24.06335 19.11967 
1 1 1  -20   50    7 o   59.623   20.886   12.122   10.643   10.649   15.002   13.615   15.100   62.182   24.215   65.662   24.602 -3.480068 34.51989 
1 1 1  -20   50    8 o  118.998   14.036   51.330   11.338   61.415   17.312   43.756   15.003  127.411   20.314  106.824   21.041 20.58750 29.24706 
1 1 1  -20   50    9 o  132.787   15.764   64.761   14.205   60.829   18.384   70.585   22.377  125.378   21.988  133.199   25.196 -7.820694 33.44077 
1 1 1  -20   50   10 o   54.012   20.229   9.1133   10.207   10.416   13.932   7.6039   14.998   59.720   23.313   57.908   23.645 1.812004 33.20547 
1 1 1  -20   50   11 o   50.602   21.274   3.8612   12.642   0.6410   21.459   5.5729   15.645   59.304   26.294   56.227   23.654 3.076485 35.36800 
1 1 1  -20   50   12 o   44.193   19.009   1.3674   10.497   12.397   14.150 -12.1298   15.653   60.890   23.571   43.143   20.315 17.74694 31.11751 
1 1 1  -20   52    1 o   71.106   21.197   18.879   11.217   15.683   22.551   19.930   12.930   75.113   29.560   73.240   22.941 1.872665 37.41792 
1 1 1  -20   52    2 o   77.065   26.792   21.261   17.496   37.683   21.571 -10.3219   29.914   97.621   29.461   65.901   29.970 31.72042 42.02534 
1 1 1  -20   52    3 o   78.724   20.511   23.519   11.288   3.5200   22.040   30.629   13.142   64.636   27.666   89.588   21.474 -24.95210 35.02190 
1 1 1  -20   52    4 o  107.004   16.218   41.947   11.634   47.390   22.606   39.986   13.570  108.422   29.389  103.133   19.729 5.289284 35.39730 
1 1 1  -20   52    5 o   52.198   20.966   5.7265   11.571   21.961   21.137  -1.2212   13.827   79.285   29.224   48.999   21.437 30.28668 36.24313 
1 1 1  -20   52    6 o  128.141   11.639   58.548   10.210   72.594   13.519   39.898   15.578  141.939   13.941  101.364   22.762 40.57575 26.69173 
1 1 1  -20   52    7 f   55.791   20.569   9.8311   10.472   2.5900   12.601   25.995   18.827   50.119   21.164   81.883   27.817 -31.76331 34.95274 
1 1 1  -20   52    8 f  186.601   10.121  123.299   13.022  121.200   15.078  129.463   25.834  184.210   11.890  184.945   20.529 -0.7352753 23.72338 
1 1 1  -20   52    9 o  159.609   11.450   91.144   12.565   98.098   19.639   86.325   16.349  161.995   17.810  153.173   15.641 8.822632 23.70337 
1 1 1  -20   52   10 o   67.825   21.583   17.931   11.404   24.024   18.374   14.113   14.545   77.454   27.416   64.080   24.119 13.37431 36.51487 
1 1 1  -20   52   11 o   68.281   24.827   17.945   15.181   0.0000   0.0000   17.945   15.181  ?   ?    68.281   24.827 0.000000 24.82665 
1 1 1  -20   54    1 o  109.293   16.032   43.740   11.767   36.517   23.767   46.086   13.543   95.585   31.226  111.407   18.192 -15.82104 36.13848 
1 1 1  -20   54    2 o   77.900   20.581   23.168   11.263   54.439   21.994   12.054   13.112  116.697   27.654   61.951   22.981 54.74660 35.95718 
1 1 1  -20   54    3 o  139.702   14.047   70.290   13.397   69.610   22.860   70.647   16.535  133.298   25.710  138.539   17.645 -5.240829 31.18275 
1 1 1  -20   54    4 o   72.102   21.589   19.776   11.617   26.561   20.976   16.775   13.951   83.646   29.321   68.606   23.920 15.03954 37.84030 
1 1 1  -20   54    5 o  114.629   12.803   47.312   9.9836   48.705   13.472   45.614   14.869  114.453   17.568  109.437   20.381 5.015541 26.90793 
1 1 1  -20   54    6 o   76.036   19.040   22.164   9.9977   15.140   13.304   31.277   15.154   65.584   23.316   88.725   24.068 -23.14027 33.50977 
1 1 1  -20   54    7 o  124.638   11.845   55.758   10.095   64.025   13.390   44.871   15.366  132.328   14.878  107.435   21.416 24.89312 26.07695 
1 1 1  -20   54    8 o   62.806   20.151   14.878   9.9253   7.1046   13.556   23.859   14.571   55.586   22.564   77.378   24.373 -21.79186 33.21383 
1 1 1  -20   54    9 f   75.132   20.103   22.276   10.659   25.420   14.321   18.371   15.959   79.055   24.038   69.993   25.454 9.061577 35.01110 
1 1 1  -20   54   10 o   57.991   22.350   10.842   12.678 -19.4244   22.951   24.133   15.209   50.195   23.916   76.336   24.981 -26.14103 34.58385 
1 1 1  -20   56    1 o   71.889   24.223   19.190   14.276 -14.2098   22.100   43.104   18.701   53.306   24.785  103.724   26.078 -50.41818 35.97692 
1 1 1  -20   56    2 o   49.832   20.284   4.6923   10.993   7.9171   21.950   3.6126   12.701   66.797   28.055   51.356   21.439 15.44085 35.30876 
1 1 1  -20   56    3 o  175.429   9.8393  108.704   11.898  134.683   23.703   99.954   13.757  190.909   18.158  167.389   11.953 23.52040 21.73932 
1 1 1  -20   56    4 o  157.152   10.564   87.647   11.423   90.790   14.011   81.415   19.729  159.028   12.839  146.909   19.917 12.11899 23.69628 
1 1 1  -20   56    5 o  159.219   11.118   90.311   12.175   86.390   18.856   93.114   15.945  152.107   18.277  160.086   14.550 -7.978470 23.36105 
1 1 1  -20   56    6 o   69.504   19.368   18.643   9.6642   25.993   12.830   9.0028   14.693   81.041   22.213   59.112   23.666 21.92894 32.45807 
1 1 1  -20   56    7 o   86.285   19.242   28.900   11.199   29.182   12.823   27.990   22.988   85.709   21.619   83.323   30.512 2.385353 37.39474 
1 1 1  -20   56    8 o   40.843   17.994  -1.1969   9.8956   2.4970   13.555  -5.4123   14.480   50.603   21.679   45.768   20.828 4.834499 30.06293 
1 1 1  -20   56    9 o   42.609   18.630  -0.1847   10.429 -15.0657   14.320   16.623   15.219   39.441   18.820   66.718   24.757 -27.27711 31.09828 
1 1 1  -20   58    1 o   80.790   20.253   25.320   11.303   7.7268   23.009   30.917   12.977   67.101   28.481   88.948   21.351 -21.84606 35.59555 
1 1 1  -20   58    2 o   91.749   18.262   32.001   11.189   26.810   21.100   34.032   13.197   82.720   29.368   93.533   20.910 -10.81380 36.05214 
1 1 1  -20   58    3 o   53.787   21.139   7.6193   11.518   42.200   21.224  -6.8182   13.714  100.168   28.970   43.958   20.107 56.20940 35.26347 
1 1 1  -20   58    4 o   84.691   16.851   27.128   9.5301   32.832   13.061   20.632   13.937   91.525   21.056   72.930   23.916 18.59569 31.86434 
1 1 1  -20   58    5 o   65.842   20.784   16.609   10.592   12.231   12.937   25.507   18.444   60.848   22.777   79.819   27.522 -18.97065 35.72455 
1 1 1  -20   58    6 o   46.239   18.925   4.0714   9.6350   4.4516   12.679   3.5516   14.823   51.365   21.430   53.497   22.787 -2.131737 31.28106 
1 1 1  -20   58    7 o   55.126   19.731   10.628   9.5424   11.435   13.122   9.7227   13.902   59.407   22.777   58.176   23.109 1.230816 32.44767 
1 1 1  -20   58    8 o   66.774   19.863   17.717   9.8579   34.853   13.371  -2.6878   14.591   92.745   21.282   47.407   21.304 45.33794 30.11321 
1 1 1  -20   60    1 o  103.558   25.362   43.971   18.033   0.0000   0.0000   43.971   18.033  ?   ?   103.558   25.362 0.000000 25.36181 
1 1 1  -20   60    2 o   58.215   21.247   11.486   11.134   12.380   21.976   11.177   12.914   68.820   28.420   59.459   22.644 9.360432 36.33815 
1 1 1  -20   60    3 o   73.702   18.778   21.116   9.6060   6.4520   12.751   40.358   14.607   53.666   21.846  101.021   21.549 -47.35450 30.68503 
1 1 1  -20   60    4 o  165.637   9.3173   97.289   10.638   93.285   14.529  101.915   15.619  160.248   13.218  167.306   13.606 -7.058075 18.96927 
1 1 1  -20   60    5 o  105.675   13.934   41.216   9.9429   55.671   13.568   24.449   14.613  121.623   16.548   77.330   24.413 44.29295 29.49312 
1 1 1  -20   60    6 o   96.505   17.858   36.007   11.488   44.501   13.628   15.146   21.357  106.749   19.149   69.091   28.215 37.65804 34.09950 
1 1 1  -20   62    1 o   57.026   20.987   11.100   10.895 -14.2293   20.747   20.745   12.803   49.977   23.488   72.028   22.863 -22.05106 32.77831 
1 1 1  -20   62    2 o   52.644   22.548   3.2326   14.658   0.0000   0.0000   3.2326   14.658  ?   ?    52.644   22.548 0.000000 22.54806 
1 1 1  -20   62    3 o   34.022   16.061  -9.4995   9.8994  -9.0106   13.423 -10.0823   14.658   41.366   19.261   42.860   20.013 -1.494133 27.77618 
1 1 1  -20   62    4 o   47.317   19.321   4.7970   10.013   10.922   13.592  -2.4722   14.808   58.839   23.011   47.972   21.517 10.86729 31.50396 
1 1 1  -19    1    1 o  279.455   7.8588  270.493   15.200  282.585   21.957  259.366   21.063  285.507   11.112  273.525   11.126 11.98181 15.72457 
1 1 1  -19    1    2 o  1018.77   7.6085  3594.57   53.648  3576.55   75.512  3612.94   76.234  1015.82   10.740  1020.96   10.788 -5.147644 15.22329 
1 1 1  -19    1    3 f   75.752   17.345   20.730   8.8980   17.503   12.458   24.091   12.713   71.420   22.541   81.803   21.983 -10.38295 31.48574 
1 1 1  -19    1    4 o  975.910   10.500  3300.08   70.923  3300.08   70.923   0.0000   0.0000  975.910   10.500  ?   ?  0.000000 10.50031 
1 1 1  -19    1    5 o  907.455   7.1131  2851.22   44.674  2879.54   63.699  2823.81   62.672  911.701   10.095  902.842   10.030 8.858154 14.23028 
1 1 1  -19    1    6 f  654.129   6.1264  1481.29   27.736  1476.01   39.241  1486.56   39.209  652.837   8.6847  655.167   8.6468 -2.330017 12.25527 
1 1 1  -19    1    7 o  672.415   6.2396  1565.31   29.039  1586.53   41.448  1544.86   40.696  676.817   8.8481  667.872   8.8040 8.944763 12.48200 
1 1 1  -19    1    8 o  727.161   7.5498  1831.08   37.996  1618.05   60.068  1973.18   49.058  683.120   12.705  754.706   9.3920 -71.58527 15.79944 
1 1 1  -19    1    9 f  303.661   8.4744  319.439   17.810  321.502   22.354  315.854   29.472  304.548   10.605  301.666   14.116 2.881683 17.65583 
1 1 1  -19    1   10 o   64.953   23.686   11.993   13.832   8.9043   19.607   15.053   19.515   69.075   27.442   75.022   27.996 -5.946640 39.20290 
1 1 1  -19    1   11 o  270.911   9.2405  254.482   17.326  244.228   24.351  264.994   24.657  264.785   13.331  276.193   12.899 -11.40747 18.54951 
1 1 1  -19    1   12 o  253.594   9.5696  223.189   16.796  229.219   33.024  221.084   19.508  255.278   18.824  252.264   11.173 3.014008 21.89044 
1 1 1  -19    1   13 o  175.127   9.5324  106.893   11.510  110.160   15.893  103.290   16.693  177.250   13.047  171.393   14.200 5.856873 19.28380 
1 1 1  -19    1   14 o  269.409   7.1618  252.012   13.354  250.386   18.718  253.698   19.058  268.098   10.087  269.845   10.204 -1.747070 14.34853 
1 1 1  -19    1   15 o  197.160   8.6146  135.386   11.755  116.547   16.340  155.593   16.924  181.724   13.079  210.492   11.662 -28.76782 17.52363 
1 1 1  -19    1   16 o   37.453   17.908 -16.8787   13.109  -9.0195   14.460 -53.1219   31.052   44.779   20.542   52.273   25.587 -7.493977 32.81326 
1 1 1  -19    1   17 o   95.725   17.441   34.000   11.130   21.562   16.542   44.288   15.044   76.684   26.074  108.238   20.838 -31.55355 33.37770 
1 1 1  -19    1   18 o  233.404   8.0863  190.794   13.063  190.443   18.789  191.122   18.174  231.377   11.772  232.289   11.304 -0.9112701 16.32025 
1 1 1  -19    1   19 o   37.277   17.473  -9.6686   11.352 -12.9421   15.097  -5.4098   17.219   42.404   19.963   50.328   22.830 -7.923298 30.32656 
1 1 1  -19    1   20 o   60.022   21.340   13.445   11.144   22.124   15.986   5.2397   15.543   73.240   25.601   54.932   23.365 18.30747 34.66052 
1 1 1  -19    3    1 o  372.099   7.4030  479.513   19.065  449.951   26.602  510.732   27.337  360.295   10.668  383.881   10.289 -23.58582 14.82139 
1 1 1  -19    3    2 f  577.898   7.8801  1156.68   31.518   0.0000   0.0000  1156.68   31.518  ?   ?   577.898   7.8801 0.000000 7.880141 
1 1 1  -19    3    3 o  599.852   5.6511  1245.69   23.461  1257.95   33.305  1233.62   33.055  602.675   7.9846  596.817   8.0023 5.858032 11.30449 
1 1 1  -19    3    4 o  650.469   5.9435  1464.80   26.758  1455.96   37.696  1473.78   37.988  648.372   8.4002  652.326   8.4140 -3.953796 11.88947 
1 1 1  -19    3    5 o  389.108   5.8068  524.134   15.638  550.289   22.431  499.402   21.813  398.630   8.1303  379.746   8.2993 18.88364 11.61809 
1 1 1  -19    3    6 o  519.966   5.8447  935.938   21.034  936.021   29.994  935.856   29.504  519.896   8.3357  519.856   8.2001 0.3991699E-01 11.69302 
1 1 1  -19    3    7 o  433.088   5.9516  649.325   17.840  605.206   24.599  698.276   25.911  418.034   8.5021  449.035   8.3373 -31.00076 11.90779 
1 1 1  -19    3    8 o  537.471   6.9861  1000.27   25.988  1023.41   44.733  988.478   31.928  543.345   11.895  534.209   8.6355 9.135925 14.69923 
1 1 1  -19    3    9 o  484.216   7.1606  812.005   23.998  831.838   30.124  777.561   39.699  489.992   8.8829  473.495   12.114 16.49628 15.02183 
1 1 1  -19    3   10 o  449.859   7.4861  701.052   23.308  688.293   38.220  708.607   29.410  445.344   12.400  452.141   9.3982 -6.797363 15.55917 
1 1 1  -19    3   11 o  196.320   11.617  134.260   15.715  130.680   22.014  137.979   22.441  193.003   16.643  198.380   16.494 -5.377167 23.43139 
1 1 1  -19    3   12 o   64.484   22.725   12.878   12.611   51.463   27.576   2.6742   14.181  118.111   32.645   54.743   22.736 63.36758 39.78217 
1 1 1  -19    3   13 o  129.838   13.264   59.416   11.752   58.390   17.921   60.191   15.567  126.980   21.134  129.768   17.802 -2.788239 27.63276 
1 1 1  -19    3   14 o   60.822   20.827   12.188   10.555   12.087   14.520   12.301   15.371   65.028   24.172   66.254   24.822 -1.226097 34.64709 
1 1 1  -19    3   15 o  109.102   14.398   42.619   10.606   40.976   15.007   44.259   14.992  105.008   21.376  109.483   20.540 -4.474617 29.64450 
1 1 1  -19    3   16 f   82.552   22.549   25.767   13.248   21.523   14.724   43.805   30.354   76.574   24.541  105.692   35.323 -29.11791 43.01148 
1 1 1  -19    3   17 o  169.899   12.281  102.575   14.344  167.854   32.768   87.102   15.953  211.486   22.744  155.472   15.013 56.01402 27.25193 
1 1 1  -19    3   18 o  168.418   10.393  100.476   12.055  102.242   16.811   98.607   17.296  168.044   14.600  164.626   15.358 3.417282 21.18971 
1 1 1  -19    3   19 o   72.821   20.826   20.835   11.024   24.597   15.401   16.882   15.788   78.197   25.103   68.500   25.256 9.697815 35.60908 
1 1 1  -19    5    1 o  394.341   6.1526  538.417   16.792  556.029   21.139  508.293   27.646  400.682   7.6225  382.962   10.430 17.72012 12.91869 
1 1 1  -19    5    2 o  882.605   6.8699  2697.45   41.966  2644.85   58.269  2754.13   60.491  873.693   9.6361  891.540   9.8032 -17.84711 13.74621 
1 1 1  -19    5    3 f  602.783   5.7039  1257.90   23.796  1258.68   33.569  1257.11   33.737  602.850   8.0456  602.472   8.0909 0.3779907 11.41024 
1 1 1  -19    5    4 o  609.873   5.8099  1287.64   24.524  1225.93   33.603  1357.95   35.872  594.970   8.1603  626.181   8.2770 -31.21130 11.62321 
1 1 1  -19    5    5 o  1199.20   8.7096  4980.49   72.288  4999.87  102.700  4961.46  101.768  1201.04   12.355  1196.43   12.290 4.611938 17.42646 
1 1 1  -19    5    6 o  1011.52   7.6898  3542.88   53.835  3537.00   76.054  3548.77   76.215  1010.38   10.876  1012.06   10.881 -1.679138 15.38419 
1 1 1  -19    5    7 o  648.013   7.1685  1453.96   32.151  1463.42   57.413  1449.64   38.806  649.729   12.767  646.968   8.6664 2.760681 15.43094 
1 1 1  -19    5    8 o  361.716   6.5467  453.018   16.390  468.037   23.972  439.836   22.459  367.558   9.4234  356.326   9.1066 11.23233 13.10464 
1 1 1  -19    5    9 o   56.696   23.358   3.3490   14.800  -2.4090   18.576   13.356   24.489   58.069   25.131   79.063   30.896 -20.99409 39.82670 
1 1 1  -19    5   10 o  107.888   23.478   42.250   17.033   45.812   20.496   34.298   30.622  112.096   26.784  102.870   35.463 9.226021 44.44087 
1 1 1  -19    5   11 o  365.703   7.5621  463.439   19.140  482.390   34.878  455.272   22.896  372.551   13.527  362.354   9.1296 10.19659 16.31928 
1 1 1  -19    5   12 f  156.861   12.029   86.045   12.960  121.512   30.534   78.250   14.314  184.056   24.583  149.251   14.021 34.80562 28.30076 
1 1 1  -19    5   13 f  393.723   10.946  539.532   29.829   0.0000   0.0000  539.532   29.829  ?   ?   393.723   10.946 0.000000 10.94639 
1 1 1  -19    5   14 o  270.455   7.1280  253.984   13.343  254.087   18.859  253.882   18.879  270.051   10.090  269.940   10.105 0.1116028 14.28026 
1 1 1  -19    5   15 o   48.509   20.900  -0.3998   12.732   4.9956   14.095 -24.3073   29.671   56.115   22.919   60.681   28.381 -4.565701 36.47974 
1 1 1  -19    5   16 o   40.853   18.242  -3.6707   10.516   5.4500   14.843 -12.8642   14.902   57.287   23.473   43.198   20.174 14.08936 30.95108 
1 1 1  -19    5   17 o   74.646   20.216   21.133   10.702   10.776   15.366   30.888   14.913   62.962   24.510   89.240   23.734 -26.27830 34.11801 
1 1 1  -19    5   18 o   67.200   21.351   16.983   11.163   22.558   14.854   9.7463   16.923   76.435   24.665   62.831   25.313 13.60418 35.34263 
1 1 1  -19    5   19 o   89.134   18.563   30.630   11.080   47.606   16.368   16.273   15.052  109.495   22.354   67.286   24.682 42.20861 33.30083 
1 1 1  -19    7    1 o  726.282   7.0205  1826.61   35.290  1775.12   42.305  1944.39   63.987  715.860   8.5387  748.814   12.346 -32.95422 15.01142 
1 1 1  -19    7    2 o  406.779   5.3427  572.825   15.042  557.958   20.961  588.609   21.597  401.392   7.5452  412.269   7.5691 -10.87698 10.68740 
1 1 1  -19    7    3 f  621.077   5.7696  1335.40   24.801  1318.03   34.667  1353.61   35.496  616.904   8.1193  625.170   8.2036 -8.266357 11.54216 
1 1 1  -19    7    4 o  1277.15   9.1415  5649.77   80.805  5581.03  112.932  5721.88  115.668  1268.78   12.860  1284.66   13.009 -15.88367 18.29273 
1 1 1  -19    7    5 o  755.716   6.4081  1977.19   33.517  1922.66   46.344  2036.99   48.532  745.069   8.9872  766.891   9.1436 -21.82220 12.82089 
1 1 1  -19    7    6 o  981.075   7.5489  3332.75   51.258  3362.35   73.062  3304.07   71.932  985.131   10.716  976.564   10.642 8.567200 15.10262 
1 1 1  -19    7    7 o  349.041   11.858  422.244   28.647  422.244   28.647   0.0000   0.0000  349.041   11.858  ?   ?  0.000000 11.85839 
1 1 1  -19    7    8 o  344.714   6.6606  411.444   15.891  421.120   22.760  402.243   22.196  348.644   9.4324  340.741   9.4119 7.902863 13.32492 
1 1 1  -19    7    9 o  243.962   8.6416  206.205   14.591  211.664   20.877  200.991   20.402  247.026   12.211  240.401   12.303 6.625259 17.33398 
1 1 1  -19    7   10 o  255.061   8.9749  225.480   15.843  196.146   28.887  238.101   18.948  236.705   17.762  262.030   10.448 -25.32549 20.60693 
1 1 1  -19    7   11 o  376.301   7.6730  490.728   19.984  479.902   36.297  495.438   23.939  371.493   14.117  377.988   9.1505 -6.494904 16.82317 
1 1 1  -19    7   12 o   41.317   18.985  -9.0914   12.420   25.327   29.338 -16.6077   13.710   93.138   34.411   39.391   18.686 53.74704 39.15691 
1 1 1  -19    7   13 o   83.457   21.409   25.573   12.427   58.341   29.063   18.242   13.747  124.302   33.167   72.744   23.747 51.55762 40.79189 
1 1 1  -19    7   14 o   71.946   21.371   18.767   11.417   21.424   17.470   16.787   15.084   79.013   26.796   71.420   24.873 7.593002 36.56111 
1 1 1  -19    7   15 o  115.465   16.835   48.222   13.057   55.044   14.523   19.449   29.827  123.303   17.510   85.864   33.931 37.43912 38.18256 
1 1 1  -19    7   16 o   49.599   19.964   4.6413   10.517   7.9765   14.928   1.3544   14.819   59.959   23.906   53.366   22.760 6.593071 33.00739 
1 1 1  -19    7   17 o  152.043   11.031   81.854   11.529   82.475   16.103   81.201   16.513  150.928   15.642  149.503   16.219 1.425171 22.53292 
1 1 1  -19    7   18 o   61.958   23.001   12.473   13.139 -12.0146   27.432   19.763   14.967   60.739   28.021   72.645   24.801 -11.90665 37.42005 
1 1 1  -19    7   19 o   61.484   24.288   11.082   15.278   0.0000   0.0000   11.082   15.278  ?   ?    61.484   24.288 0.000000 24.28808 
1 1 1  -19    9    1 o  614.772   6.5087  1308.61   27.694  1283.65   33.507  1362.44   49.198  608.797   7.9521  626.940   11.338 -18.14313 13.84880 
1 1 1  -19    9    2 o  1004.48   7.5323  3494.09   52.366  3387.89   71.891  3614.14   76.430  988.769   10.505  1021.21   10.814 -32.44110 15.07620 
1 1 1  -19    9    3 o  227.859   6.9675  179.772   10.988  173.363   15.290  186.617   15.802  223.697   9.8755  232.091   9.8373 -8.394196 13.93909 
1 1 1  -19    9    4 f  181.439   8.5785  114.013   10.773  109.545   15.022  118.742   15.456  177.349   12.315  184.692   12.160 -7.342621 17.30637 
1 1 1  -19    9    5 o  1095.87   8.1367  4158.70   61.714  4138.65   86.898  4179.11   87.660  1092.86   11.489  1098.18   11.533 -5.323608 16.27893 
1 1 1  -19    9    6 o  573.547   6.8834  1138.93   27.324  1117.07   47.349  1149.84   33.458  567.732   12.050  576.219   8.3894 -8.487244 14.68292 
1 1 1  -19    9    7 o  109.806   16.804   42.815   12.365   58.878   20.062   32.977   15.701  128.062   23.501   95.458   23.837 32.60411 33.47433 
1 1 1  -19    9    8 o  522.133   6.1077  943.899   22.072  950.795   31.444  937.202   30.989  523.905   8.6719  520.150   8.6079 3.754883 12.21873 
1 1 1  -19    9    9 f  314.838   7.3808  343.323   16.083  380.641   23.831  312.112   21.795  331.363   10.391  300.050   10.495 31.31302 14.76887 
1 1 1  -19    9   10 o  109.697   21.413   43.441   15.674   67.951   26.129   29.663   19.590  136.564   28.563   91.783   28.155 44.78082 40.10664 
1 1 1  -19    9   11 o  268.821   12.830  251.118   23.871  241.122   32.316  263.122   35.413  262.306   17.908  273.894   18.795 -11.58780 25.95997 
1 1 1  -19    9   12 o  123.956   15.380   54.417   12.911   51.171   28.650   55.244   14.463  117.692   33.542  124.551   17.240 -6.858749 37.71359 
1 1 1  -19    9   13 o  109.247   17.778   42.999   12.980   7.2049   30.300   51.043   14.365   79.392   33.126  119.201   17.970 -39.80909 37.68604 
1 1 1  -19    9   14 o   78.924   29.886   17.728   22.414   0.0000   0.0000   17.728   22.414  ?   ?    78.924   29.886 0.000000 29.88597 
1 1 1  -19    9   15 o  126.894   12.493   57.047   10.829   67.243   15.209   46.563   15.423  136.803   16.390  112.229   20.616 24.57352 26.33664 
1 1 1  -19    9   16 o  156.343   10.442   86.053   11.234   80.842   15.974   91.152   15.802  149.937   15.623  159.716   14.451 -9.779495 21.28171 
1 1 1  -19    9   17 o  178.481   10.129  112.303   12.461  119.093   16.550  103.415   18.936  182.673   13.178  168.739   16.422 13.93344 21.05611 
1 1 1  -19    9   18 o   90.532   18.369   31.122   11.116   50.929   16.230   13.618   15.257  115.037   21.165   65.163   24.662 49.87386 32.49821 
1 1 1  -19    9   19 o   49.060   20.294   4.2984   11.233   0.2026   16.579   7.7746   15.273   53.158   23.360   58.017   23.796 -4.859097 33.34516 
1 1 1  -19   11    1 o  178.420   7.7543  110.244   9.5756   99.505   13.159  122.330   13.960  169.061   11.311  187.571   10.799 -18.51024 15.63870 
1 1 1  -19   11    2 o  513.589   5.4620  913.127   19.415  868.727   26.655  963.304   28.337  500.861   7.6893  527.417   7.7628 -26.55603 10.92641 
1 1 1  -19   11    3 o  676.573   8.4852  1585.34   39.733   0.0000   0.0000  1585.34   39.733  ?   ?   676.573   8.4852 0.000000 8.485168 
1 1 1  -19   11    4 o  562.411   5.7017  1094.97   22.194  1046.01   30.478  1150.24   32.382  549.601   8.0123  576.330   8.1182 -26.72900 11.40625 
1 1 1  -19   11    5 o  1077.74   8.0320  4022.15   59.912  3935.25   83.070  4116.36   86.490  1065.70   11.262  1089.92   11.466 -24.22253 16.07176 
1 1 1  -19   11    6 o  382.152   8.2758  505.741   21.889  499.024   30.205  513.171   31.765  379.479   11.500  384.800   11.927 -5.321136 16.56841 
1 1 1  -19   11    7 o  505.452   5.9091  884.469   20.672  882.136   29.487  886.725   28.988  504.678   8.4419  505.997   8.2774 -1.318939 11.82293 
1 1 1  -19   11    8 o  354.913   6.6014  436.169   16.216  427.690   22.916  444.672   22.949  351.336   9.4241  358.251   9.2554 -6.915283 13.20895 
1 1 1  -19   11    9 o  358.511   6.2904  445.084   15.608  494.634   31.766  429.314   17.921  377.596   12.155  352.059   7.3547 25.53690 14.20690 
1 1 1  -19   11   10 f  386.547   8.5729  517.857   22.936  454.049   34.336  569.268   30.820  361.523   13.722  405.083   10.993 -43.56042 17.58261 
1 1 1  -19   11   11 o   48.432   20.777  -0.6846   12.482   4.8468   26.940  -2.1965   14.084   74.921   31.246   50.164   21.797 24.75741 38.09702 
1 1 1  -19   11   12 o  141.933   13.449   70.803   13.054   47.415   28.662   76.924   14.663  113.668   33.883  147.813   14.520 -34.14563 36.86320 
1 1 1  -19   11   13 o   75.193   22.511   20.364   12.631 -34.6537   28.847   33.413   14.049   56.393   26.854   95.222   21.789 -38.82890 34.58157 
1 1 1  -19   11   14 o  211.326   13.506  157.213   19.650  120.781   33.305  176.669   24.338  180.160   27.588  223.377   15.845 -43.21674 31.81491 
1 1 1  -19   11   15 o   80.001   18.709   23.759   10.174   29.615   14.180   17.546   14.606   88.664   22.934   71.467   24.500 17.19698 33.55916 
1 1 1  -19   11   16 o   56.996   20.255   10.505   10.039   12.230   14.594   8.9558   13.831   64.231   24.163   59.523   23.231 4.708206 33.51865 
1 1 1  -19   11   17 o  127.349   12.971   58.141   11.273   48.404   15.735   68.409   16.158  113.006   20.888  136.416   17.518 -23.41006 27.26146 
1 1 1  -19   11   18 o   38.955   18.704 -18.6095   14.632   0.0000   0.0000 -18.6095   14.632  ?   ?    38.955   18.704 0.000000 18.70415 
1 1 1  -19   11   19 o   64.711   23.304   15.275   13.330   39.761   31.602   9.9748   14.702   93.865   35.500   59.540   23.729 34.32468 42.70065 
1 1 1  -19   13    1 o  496.856   5.3947  854.582   18.551  814.283   25.590  899.217   26.932  484.918   7.6248  509.580   7.6363 -24.66217 10.79123 
1 1 1  -19   13    2 o  893.100   9.8706  2763.25   61.013   0.0000   0.0000  2763.25   61.013  ?   ?   893.100   9.8706 0.000000 9.870629 
1 1 1  -19   13    3 o  271.628   9.1261  255.553   17.157   0.0000   0.0000  255.553   17.157  ?   ?   271.628   9.1261 0.000000 9.126060 
1 1 1  -19   13    4 o  593.532   5.7588  1219.50   23.657  1163.36   32.396  1283.64   34.625  579.613   8.0757  608.833   8.2171 -29.21948 11.52125 
1 1 1  -19   13    5 o  642.481   5.9778  1428.98   26.581  1378.90   36.917  1482.90   38.305  631.007   8.4531  654.371   8.4577 -23.36359 11.95777 
1 1 1  -19   13    6 o  265.996   7.9520  245.014   14.640  249.268   23.973  242.485   18.487  268.146   12.917  264.564   10.096 3.581787 16.39479 
1 1 1  -19   13    7 o  529.905   6.0286  972.157   22.110  963.546   31.369  980.659   31.169  527.432   8.5932  532.102   8.4635 -4.670471 12.06125 
1 1 1  -19   13    8 o  337.895   7.4977  395.430   17.534  386.439   29.402  400.392   21.844  333.774   12.727  339.934   9.2845 -6.160736 15.75409 
1 1 1  -19   13    9 o  290.747   7.8940  292.859   15.885  346.293   29.161  270.312   18.942  315.838   13.340  279.247   9.8010 36.59027 16.55338 
1 1 1  -19   13   10 o  238.749   8.4766  197.564   14.007  199.268   28.280  197.010   16.123  238.586   17.242  238.354   9.7737 0.2325592 19.81969 
1 1 1  -19   13   11 o  444.771   7.2179  685.581   22.219  760.000   41.636  655.950   26.273  467.540   12.867  434.905   8.7283 32.63516 15.54799 
1 1 1  -19   13   12 o  295.930   12.010  304.819   24.599  298.683   33.100  312.390   36.766  291.748   16.459  298.015   17.908 -6.267029 24.32318 
1 1 1  -19   13   13 o  179.629   14.396  113.683   17.747  119.268   28.476  110.136   22.694  181.541   23.194  175.640   18.969 5.901031 29.96311 
1 1 1  -19   13   14 o   78.656   22.214   22.839   12.625   69.317   29.629   12.528   13.955  133.829   32.347   64.748   23.764 69.08114 40.13775 
1 1 1  -19   13   15 o  147.595   14.675   77.701   14.792   0.0000   0.0000   77.701   14.792  ?   ?   147.595   14.675 0.000000 14.67457 
1 1 1  -19   13   16 o   78.759   19.905   23.381   10.855   17.918   14.390   30.595   16.535   71.188   24.319   89.094   25.513 -17.90656 35.24619 
1 1 1  -19   13   17 o   59.872   20.788   12.354   10.531   11.843   14.977   12.854   14.811   63.473   24.335   64.475   24.323 -1.002491 34.40637 
1 1 1  -19   13   18 o   30.995   15.128 -18.3123   10.624 -31.0720   14.499  -3.5169   15.612   33.626   16.653   49.572   22.174 -15.94517 27.73112 
1 1 1  -19   13   19 o   43.778   19.143  -0.3453   11.012  -2.3549   15.531   1.6867   15.617   49.565   22.147   52.793   22.945 -3.227970 31.89055 
1 1 1  -19   15    1 o  674.311   8.3997  1574.72   39.201   0.0000   0.0000  1574.72   39.201  ?   ?   674.311   8.3997 0.000000 8.399699 
1 1 1  -19   15    2 o  163.768   8.8520   93.160   9.9962   75.295   13.917  112.202   14.368  146.706   13.870  179.561   11.623 -32.85483 18.09669 
1 1 1  -19   15    3 o  446.447   7.8538  690.181   24.268   0.0000   0.0000  690.181   24.268  ?   ?   446.447   7.8538 0.000000 7.853802 
1 1 1  -19   15    4 o  482.998   7.9368  807.819   26.532   0.0000   0.0000  807.819   26.532  ?   ?   482.998   7.9368 0.000000 7.936808 
1 1 1  -19   15    5 o  389.252   6.9314  524.596   18.673  488.602   22.411  606.341   33.773  375.610   8.6206  418.292   11.666 -42.68176 14.50547 
1 1 1  -19   15    6 o  606.628   6.0235  1274.00   25.290  1271.10   35.726  1276.90   35.804  605.814   8.5207  607.196   8.5198 -1.381714 12.04941 
1 1 1  -19   15    7 o  648.343   7.1310  1455.61   31.999  1527.81   55.833  1420.30   39.048  663.807   12.153  640.319   8.8110 23.48761 15.01075 
1 1 1  -19   15    8 o  454.642   5.8657  715.680   18.457  745.366   38.017  706.526   21.112  463.593   11.849  451.685   6.7534 11.90723 13.63812 
1 1 1  -19   15    9 o  380.471   7.1511  501.424   18.831  513.171   33.343  495.922   22.818  384.521   12.529  378.290   8.7153 6.231384 15.26183 
1 1 1  -19   15   10 o  115.553   16.152   47.370   12.564   70.878   26.656   40.656   14.246  139.365   28.594  106.185   20.121 33.18067 34.96387 
1 1 1  -19   15   11 o  164.739   12.666   94.923   14.331  143.463   27.759   77.286   16.733  201.394   20.187  147.914   16.633 53.48018 26.15665 
1 1 1  -19   15   12 o  240.053   8.5611  200.055   14.224  255.561   30.323  184.396   16.106  269.710   16.321  230.322   10.103 39.38808 19.19501 
1 1 1  -19   15   13 o  273.068   10.140  259.656   19.164  291.463   31.258  240.498   24.258  287.635   15.761  261.855   13.430 25.77930 20.70740 
1 1 1  -19   15   14 o  138.516   13.757   68.034   13.015  102.781   28.668   59.014   14.606  166.347   25.731  128.105   16.886 38.24167 30.77637 
1 1 1  -19   15   15 o  107.226   19.702   42.534   14.082   0.0000   0.0000   42.534   14.082  ?   ?   107.226   19.702 0.000000 19.70151 
1 1 1  -19   15   16 o   91.402   17.296   30.929   10.541   34.699   14.653   26.885   15.175   95.233   22.575   83.804   24.571 11.42952 33.36692 
1 1 1  -19   15   17 o   48.222   20.227   2.5748   11.385 -21.2585   17.059   21.715   15.288   42.284   20.274   75.857   25.057 -33.57385 32.23167 
1 1 1  -19   15   18 o   39.623   17.958  -4.6146   10.627   14.438   14.310 -28.0424   15.868   65.059   24.033   37.103   18.189 27.95573 30.13995 
1 1 1  -19   15   19 o   72.677   22.795   21.215   12.760   26.793   14.692   4.0902   25.745   80.560   24.315   65.310   28.886 15.24944 37.75733 
1 1 1  -19   17    1 o  225.674   6.9458  176.332   10.849  174.469   15.415  178.159   15.271  224.421   9.9242  226.786   9.7294 -2.365311 13.89790 
1 1 1  -19   17    2 o  386.826   5.6115  517.987   15.024  487.593   21.102  549.228   21.394  375.239   8.1253  398.262   7.7616 -23.02261 11.23666 
1 1 1  -19   17    3 o  472.823   5.5492  773.890   18.160  729.325   24.935  824.227   26.500  458.935   7.8501  487.882   7.8480 -28.94644 11.10020 
1 1 1  -19   17    4 o  1090.16   8.0988  4115.44   61.107  3977.55   83.617  4273.48   89.520  1071.40   11.276  1110.49   11.647 -39.09265 16.21160 
1 1 1  -19   17    5 o  484.861   6.5030  813.915   21.823  752.683   34.759  853.754   28.037  466.081   10.775  496.521   8.1586 -30.43961 13.51549 
1 1 1  -19   17    6 o  412.251   6.0230  588.381   17.185  575.523   24.034  601.833   24.582  407.633   8.5188  416.846   8.5205 -9.213318 12.04861 
1 1 1  -19   17    7 o  188.889   9.0191  123.611   11.791  137.902   23.457  118.780   13.639  198.469   17.248  184.809   10.709 13.66020 20.30238 
1 1 1  -19   17    8 o   67.875   22.728   15.113   12.567   39.166   23.003   4.8811   15.003  104.449   30.145   58.538   23.746 45.91133 38.37448 
1 1 1  -19   17    9 o  258.575   7.7917  231.657   13.944  207.805   27.269  240.102   16.226  243.877   16.248  263.198   8.9075 -19.32051 18.52991 
1 1 1  -19   17   10 o  211.232   9.2208  154.733   13.480  168.293   27.776  150.555   15.418  218.836   18.512  208.007   10.746 10.82867 21.40532 
1 1 1  -19   17   11 o  253.594   9.1248  223.170   16.015  261.366   30.437  208.545   18.834  273.161   16.171  244.980   11.108 28.18095 19.61858 
1 1 1  -19   17   12 o  138.090   18.552   68.208   17.283   36.478   26.864   90.613   22.574  101.346   33.202  158.851   21.051 -57.50506 39.31357 
1 1 1  -19   17   13 o   43.182   19.581  -6.8440   12.651   25.820   26.520 -16.4668   14.394   89.949   32.797   40.617   19.233 49.33149 38.02076 
1 1 1  -19   17   14 o   54.557   21.670   6.1626   12.223 -34.9073   27.865   15.948   13.601   54.319   26.010   68.760   23.638 -14.44019 35.14637 
1 1 1  -19   17   15 o  241.386   9.6233  203.662   16.077  239.463   33.310  192.790   18.357  257.548   18.817  234.409   11.315 23.13931 21.95712 
1 1 1  -19   17   16 o  127.870   17.295   59.826   14.913   0.0000   0.0000   59.826   14.913  ?   ?   127.870   17.295 0.000000 17.29455 
1 1 1  -19   17   17 o   92.405   18.547   32.254   11.449   26.303   15.594   39.213   16.864   82.001   25.114   99.537   24.616 -17.53599 35.16669 
1 1 1  -19   17   18 o   59.031   21.038   12.094   10.837   17.434   14.694   5.7247   16.047   68.924   24.504   57.477   24.055 11.44681 34.33840 
1 1 1  -19   17   19 o  112.261   14.313   46.724   10.867   47.263   14.562   46.046   16.326  109.704   19.913  106.307   22.868 3.397377 30.32260 
1 1 1  -19   19    1 o  693.396   6.9912  1664.66   33.551  1683.42   58.552  1655.50   40.939  696.941   12.139  691.399   8.5553 5.542053 14.85052 
1 1 1  -19   19    2 o  676.073   6.0158  1582.32   28.149  1535.78   39.017  1632.84   40.651  665.936   8.4653  686.653   8.5538 -20.71722 12.03447 
1 1 1  -19   19    3 o  600.625   6.8170  1248.99   28.338  1190.24   48.399  1279.64   34.957  586.040   11.933  607.879   8.3088 -21.83868 14.54038 
1 1 1  -19   19    4 f  454.951   8.1038  716.768   25.517   0.0000   0.0000  716.768   25.517  ?   ?   454.951   8.1038 0.000000 8.103803 
1 1 1  -19   19    5 o  417.558   5.8776  603.604   16.986  558.168   23.279  655.341   24.841  401.453   8.3783  435.002   8.2509 -33.54868 11.75898 
1 1 1  -19   19    6 o  560.026   6.7357  1085.97   26.108  994.634   41.363  1146.46   33.660  535.681   11.156  575.313   8.4534 -39.63269 13.99737 
1 1 1  -19   19    7 o  641.935   6.1073  1426.84   27.134  1478.54   54.823  1410.07   31.228  652.917   12.132  638.090   7.0710 14.82721 14.04220 
1 1 1  -19   19    8 o  438.710   6.9199  666.613   21.011  589.268   34.916  710.523   26.308  412.099   12.242  452.837   8.3940 -40.73816 14.84318 
1 1 1  -19   19    9 o  272.874   7.5504  257.990   14.260  243.463   28.245  262.959   16.520  264.112   15.520  275.436   8.6656 -11.32410 17.77509 
1 1 1  -19   19   10 o  203.267   12.042  144.041   16.865  128.976   26.744  153.988   21.730  190.897   20.567  209.770   15.068 -18.87273 25.49559 
1 1 1  -19   19   11 o  323.734   7.8769  363.519   17.649  375.707   32.468  358.408   21.027  328.247   14.292  321.286   9.4560 6.961731 17.13667 
1 1 1  -19   19   12 o  129.519   23.907   61.519   20.641   65.951   27.557   55.854   31.155  132.366   30.679  121.556   35.083 10.80972 46.60494 
1 1 1  -19   19   13 o   58.317   22.166   8.9044   12.360  -7.0927   26.580   13.318   13.961   65.474   29.135   65.878   23.831 -0.4042664 37.63990 
1 1 1  -19   19   14 o  217.531   9.3585  165.043   14.090  165.073   30.121  165.035   15.941  213.474   20.644  217.286   10.600 -3.811493 23.20675 
1 1 1  -19   19   15 o  139.578   13.672   69.469   13.038   91.951   30.966   64.625   14.374  153.157   30.286  133.909   15.814 19.24760 34.16593 
1 1 1  -19   19   16 o   83.103   24.150   26.601   14.718   0.0000   0.0000   26.601   14.718  ?   ?    83.103   24.150 0.000000 24.15003 
1 1 1  -19   19   17 o  210.371   8.9984  155.395   13.102  157.552   17.559  152.684   19.679  210.276   12.116  206.071   13.879 4.204742 18.42339 
1 1 1  -19   19   18 o   52.300   21.679   4.8843   12.855   1.0968   14.394   19.810   28.575   51.003   22.098   79.099   32.507 -28.09616 39.30688 
1 1 1  -19   19   19 o   47.400   19.700   4.0433   10.657   0.2867   14.230   8.8408   16.081   49.221   21.635   59.034   24.338 -9.812756 32.56427 
1 1 1  -19   21    1 o  957.831   7.3639  3176.64   48.817  3082.24   67.177  3282.26   71.062  943.243   10.290  973.340   10.549 -30.09741 14.73645 
1 1 1  -19   21    2 o  749.870   6.3736  1946.71   33.079  1821.36   44.642  2099.33   49.259  725.180   8.8945  778.537   9.1417 -53.35657 12.75471 
1 1 1  -19   21    3 o  345.501   5.9772  413.249   14.293  399.408   20.110  427.378   20.318  339.599   8.5561  351.294   8.3567 -11.69562 11.95996 
1 1 1  -19   21    4 o  567.775   6.5915  1116.12   25.902  1059.51   42.657  1149.19   32.601  552.936   11.146  576.048   8.1769 -23.11194 13.82411 
1 1 1  -19   21    5 o  539.200   5.7422  1006.53   21.429  930.244   39.963  1037.32   25.388  518.069   11.145  547.344   6.7018 -29.27496 13.00504 
1 1 1  -19   21    6 o  357.630   7.1435  442.924   17.682  441.024   28.788  444.076   22.406  356.646   11.663  358.016   9.0425 -1.369751 14.75741 
1 1 1  -19   21    7 o  123.694   15.239   53.945   12.770   45.205   21.352   58.813   15.934  111.423   27.783  128.725   18.409 -17.30244 33.32821 
1 1 1  -19   21    8 o  635.804   6.2153  1399.96   27.350  1387.81   53.181  1404.34   31.891  632.370   12.151  636.711   7.2368 -4.340637 14.14272 
1 1 1  -19   21    9 f  190.598   9.7844  126.325   12.864   87.268   24.356  141.434   15.149  156.180   23.240  201.592   10.898 -45.41138 25.66848 
1 1 1  -19   21   10 o  244.736   8.2619  207.698   13.994  231.171   29.141  200.662   15.954  256.897   16.476  240.469   9.5862 16.42781 19.06217 
1 1 1  -19   21   11 o  104.133   27.445   40.093   20.060   61.220   26.465   11.566   30.753  128.117   30.318   83.286   33.917 44.83043 45.49220 
1 1 1  -19   21   12 o  239.840   9.4090  200.075   15.619  245.171   30.420  183.932   18.201  263.543   16.765  229.681   11.449 33.86221 20.30126 
1 1 1  -19   21   13 o   77.638   21.869   22.219   12.252   70.732   27.888   10.615   13.639  135.970   30.398   62.023   23.354 73.94724 38.33305 
1 1 1  -19   21   14 o  106.393   19.163   41.657   13.592   22.727   28.103   47.437   15.529   86.894   33.330  113.248   20.570 -26.35339 39.16595 
1 1 1  -19   21   15 o   84.382   21.619   26.986   12.682   1.9151   29.456   32.691   14.052   72.384   31.486   92.741   22.189 -20.35765 38.51921 
1 1 1  -19   21   16 o  129.783   16.258   61.442   14.284   79.220   31.288   56.762   16.054  137.919   33.182  123.341   19.451 14.57799 38.46233 
1 1 1  -19   21   17 o   62.556   23.755   12.164   14.186   65.512   31.336  -1.5879   15.910  121.479   35.220   51.638   22.780 69.84122 41.94491 
1 1 1  -19   21   18 o   42.897   19.003  -1.8520   11.185  -0.2085   14.747  -4.0777   17.161   50.308   22.071   51.061   23.011 -0.7537079 31.88428 
1 1 1  -19   23    1 o  287.619   6.2629  286.394   12.467  260.228   17.368  314.208   17.907  274.099   9.1552  301.206   8.5896 -27.10602 12.55390 
1 1 1  -19   23    2 o  304.623   7.2341  321.309   15.252  248.781   25.539  361.517   19.015  267.487   13.842  323.087   8.5037 -55.60022 16.24567 
1 1 1  -19   23    3 o  504.603   8.1498  881.817   28.463  881.817   28.463   0.0000   0.0000  504.603   8.1498  ?   ?  0.000000 8.149817 
1 1 1  -19   23    4 o  455.169   5.5804  717.233   17.580  703.903   33.683  722.224   20.610  450.680   10.798  456.718   6.5200 -6.037842 12.61419 
1 1 1  -19   23    5 o   83.992   18.502   25.486   10.465   37.878   19.355   20.366   12.440  102.279   26.960   75.827   22.251 26.45209 34.95672 
1 1 1  -19   23    6 o  289.072   6.8077  289.384   13.620  295.366   26.520  287.241   15.874  291.756   13.133  287.961   7.9646 3.794708 15.35968 
1 1 1  -19   23    7 o  106.532   17.738   40.540   12.618   54.098   21.949   33.847   15.422  121.927   26.745   96.518   23.341 25.40897 35.49841 
1 1 1  -19   23    8 o  211.877   8.7976  155.605   12.901  163.951   25.426  152.711   14.971  216.329   17.122  209.833   10.309 6.496094 19.98575 
1 1 1  -19   23    9 o  371.260   6.5030  477.507   16.710  457.171   31.950  485.164   19.605  362.707   12.727  374.152   7.5707 -11.44513 14.80888 
1 1 1  -19   23   10 o   69.247   22.171   16.519   12.020 -15.0927   25.539   25.514   13.623   60.641   27.622   83.764   22.860 -23.12359 35.85452 
1 1 1  -19   23   11 o  242.856   8.6015  204.815   14.458  234.293   29.352  195.372   16.613  258.029   16.523  237.032   10.127 20.99709 19.37894 
1 1 1  -19   23   12 o   59.397   22.626   9.1094   12.896   15.200   24.848   6.8641   15.087   79.216   31.076   59.925   23.985 19.29072 39.25551 
1 1 1  -19   23   13 o   94.150   19.455   32.694   12.258   70.927   27.925   23.569   13.643  135.803   30.461   79.882   23.262 55.92161 38.32734 
1 1 1  -19   23   14 f  199.787   9.8089  139.489   13.563  159.415   31.885  135.087   14.987  208.295   22.473  196.043   11.091 12.25156 25.06109 
1 1 1  -19   23   15 o   44.905   20.058  -4.0933   12.727  -7.6195   27.401  -3.1233   14.371   64.526   29.077   48.707   21.560 15.81895 36.19872 
1 1 1  -19   23   16 o  135.177   14.934   66.196   13.739   68.146   27.736   65.562   15.816  128.283   31.475  133.414   17.554 -5.131226 36.03964 
1 1 1  -19   23   17 o   92.182   31.443   35.255   24.057   0.0000   0.0000   35.255   24.057  ?   ?    92.182   31.443 0.000000 31.44333 
1 1 1  -19   23   18 o   89.489   19.001   31.137   11.405   27.245   15.583   35.627   16.736   81.411   25.133   92.512   25.375 -11.10110 35.71560 
1 1 1  -19   25    1 o  341.730   6.0715  404.296   14.360  375.658   19.897  435.427   20.745  329.329   8.7295  354.571   8.4536 -25.24200 12.15187 
1 1 1  -19   25    2 o  372.118   8.3320  479.593   21.459  479.593   21.459   0.0000   0.0000  372.118   8.3320  ?   ?  0.000000 8.332041 
1 1 1  -19   25    3 o  155.335   11.854   84.135   12.648   88.098   20.881   81.838   15.895  157.991   19.510  152.803   15.233 5.187241 24.75263 
1 1 1  -19   25    4 o  759.584   6.4587  1997.79   33.954  1921.95   65.077  2026.16   39.802  744.419   12.631  764.880   7.5185 -20.46027 14.69915 
1 1 1  -19   25    5 o  411.816   5.9555  587.206   16.975  520.976   31.497  614.316   20.152  387.593   11.741  421.176   6.9130 -33.58264 13.62526 
1 1 1  -19   25    6 o  208.224   9.3049  150.266   13.410  121.219   23.258  164.729   16.412  185.733   18.332  217.955   10.880 -32.22200 21.31750 
1 1 1  -19   25    7 o  453.000   6.0733  710.658   19.041  636.097   35.587  740.567   22.539  428.124   12.010  462.376   7.0431 -34.25223 13.92292 
1 1 1  -19   25    8 o   90.766   19.756   29.871   12.058   39.737   22.285   25.787   14.338  104.658   29.498   84.559   23.601 20.09887 37.77755 
1 1 1  -19   25    9 o  399.068   6.4212  551.779   17.735  551.707   34.735  551.805   20.627  398.355   12.599  398.991   7.4695 -0.6360168 14.64644 
1 1 1  -19   25   10 o  245.859   10.191  210.039   17.342  223.854   27.402  200.810   22.398  252.624   15.751  239.645   13.560 12.97890 20.78335 
1 1 1  -19   25   11 o  186.559   10.382  121.506   13.353  120.098   27.361  121.946   15.298  182.703   22.086  186.643   11.905 -3.939728 25.08981 
1 1 1  -19   25   12 o  198.597   10.579  137.924   14.489  130.585   27.422  140.767   17.065  190.264   21.184  200.259   12.373 -9.994751 24.53267 
1 1 1  -19   25   13 o   95.420   20.488   33.817   13.127   95.951   28.070   16.427   14.850  160.033   26.254   70.355   24.670 89.67859 36.02604 
1 1 1  -19   25   14 o  203.010   9.7107  144.097   13.644  114.390   30.160  151.742   15.299  174.092   25.813  207.842   10.672 -33.74944 27.93182 
1 1 1  -19   25   15 o   45.708   20.075  -1.9111   12.230   37.785   26.031 -13.1547   13.854   97.861   32.711   40.828   19.190 57.03368 37.92431 
1 1 1  -19   25   16 o   97.716   26.364   38.237   18.242   71.512   28.359   14.752   23.825  130.837   31.660   74.138   29.976 56.69902 43.59900 
1 1 1  -19   25   17 o   49.223   21.879  -2.4251   14.947   0.0000   0.0000  -2.4251   14.947  ?   ?    49.223   21.879 0.000000 21.87871 
1 1 1  -19   25   18 f   45.743   19.599   1.6095   11.082  -9.6246   14.908   15.481   16.566   43.672   20.323   66.708   25.589 -23.03602 32.67719 
1 1 1  -19   27    1 o  362.002   6.9624  453.780   17.444  430.833   21.062  503.902   31.128  352.670   8.6288  381.244   11.797 -28.57364 14.61608 
1 1 1  -19   27    2 o  205.025   7.7727  145.585   11.029  163.122   21.665  139.450   12.814  216.315   14.555  200.624   9.2286 15.69022 17.23444 
1 1 1  -19   27    3 o  945.370   7.3251  3095.17   47.929  2935.61   90.607  3157.17   56.477  919.699   14.234  954.658   8.5477 -34.95935 16.60358 
1 1 1  -19   27    4 o  279.075   6.8317  269.715   13.196  252.244   25.078  276.404   15.518  269.606   13.439  282.479   7.9371 -12.87357 15.60816 
1 1 1  -19   27    5 o  277.388   8.2979  266.583   15.931  218.244   25.490  297.566   20.407  250.230   14.784  292.983   10.064 -42.75323 17.88407 
1 1 1  -19   27    6 o  562.421   6.7830  1095.60   26.403  993.659   43.185  1156.46   33.366  535.156   11.659  577.700   8.3450 -42.54364 14.33804 
1 1 1  -19   27    7 o  511.154   6.0732  904.906   21.486  884.878   40.818  912.582   25.270  504.914   11.680  513.240   7.1138 -8.326843 13.67612 
1 1 1  -19   27    8 f  276.643   9.4820  265.474   18.155  227.854   27.052  296.301   24.489  255.343   15.379  292.044   12.115 -36.70084 19.57817 
1 1 1  -19   27    9 o  215.549   11.181  161.900   16.623  184.732   25.490  145.003   21.928  229.470   16.153  203.250   15.710 26.21988 22.53232 
1 1 1  -19   27   10 o  117.344   15.726   49.018   12.451   62.878   25.092   44.491   14.341  129.999   28.659  110.899   19.390 19.10013 34.60236 
1 1 1  -19   27   11 o  273.320   7.6186  259.418   14.412  265.317   29.667  257.596   16.488  274.442   15.684  272.207   8.7519 2.235229 17.96029 
1 1 1  -19   27   12 o  128.783   15.605   59.257   13.625   69.317   26.787   55.746   15.825  134.823   29.525  123.904   19.065 10.91945 35.14545 
1 1 1  -19   27   13 o  173.738   10.682  105.976   12.783  130.585   29.019  100.051   14.239  188.535   22.695  168.395   12.302 20.14021 25.81461 
1 1 1  -19   27   14 o  112.359   16.430   45.928   12.399   49.805   26.903   44.883   13.971  111.416   32.730  110.181   19.008 1.234428 37.84876 
1 1 1  -19   27   15 o  104.115   18.919   40.511   13.131   33.083   26.083   43.032   15.197   92.738   32.682  106.398   21.379 -13.65973 39.05377 
1 1 1  -19   27   16 o   80.261   28.879   24.037   20.468   18.278   27.372   31.341   30.827   79.119   32.081   90.990   34.906 -11.87105 47.40868 
1 1 1  -19   27   17 o   27.662   13.719 -22.4239   9.9699 -20.5152   12.511 -25.7457   16.504   33.844   16.496   38.970   18.984 -5.126095 25.14931 
1 1 1  -19   27   18 o   47.758   21.689  -4.5968   15.600   0.0000   0.0000  -4.5968   15.600  ?   ?    47.758   21.689 0.000000 21.68936 
1 1 1  -19   29    1 o  712.728   12.435  1761.95   61.339  1761.95   61.339   0.0000   0.0000  712.728   12.435  ?   ?  0.000000 12.43479 
1 1 1  -19   29    2 o  324.363   8.8242  364.526   19.810  340.585   26.148  396.780   30.350  313.368   12.056  338.175   12.967 -24.80661 17.70580 
1 1 1  -19   29    3 o  423.491   5.9036  620.983   17.304  624.390   32.730  619.661   20.385  424.345   11.144  422.993   6.9632 1.351593 13.14080 
1 1 1  -19   29    4 o  271.298   7.1435  254.932   13.413  208.878   25.500  272.550   15.772  244.732   15.129  280.479   8.1245 -35.74701 17.17223 
1 1 1  -19   29    5 o  308.816   12.902  331.073   27.575  331.073   27.575   0.0000   0.0000  308.816   12.902  ?   ?  0.000000 12.90164 
1 1 1  -19   29    6 o  311.218   6.9036  335.520   14.870  292.976   27.984  352.260   17.554  290.363   13.925  318.834   7.9547 -28.47025 16.03683 
1 1 1  -19   29    7 o  760.342   6.6402  2002.83   34.943  1866.34   64.730  2058.96   41.512  732.890   12.761  770.764   7.7816 -37.87476 14.94660 
1 1 1  -19   29    8 o  179.369   10.401  112.081   12.857   88.878   23.981  121.440   15.231  157.484   22.654  186.553   11.858 -29.06960 25.56968 
1 1 1  -19   29    9 o  216.603   11.074  163.583   16.546  160.683   25.265  165.760   21.894  213.534   17.242  217.443   14.633 -3.908981 22.61445 
1 1 1  -19   29   10 o  321.000   6.9672  357.498   15.479  330.829   30.131  367.059   18.042  307.565   14.155  325.130   8.0176 -17.56451 16.26762 
1 1 1  -19   29   11 o  161.776   11.267   91.770   12.537   71.756   24.101   99.194   14.679  138.889   26.028  167.930   12.724 -29.04102 28.97194 
1 1 1  -19   29   12 o  200.393   11.148  140.834   15.401  163.024   26.611  129.658   18.885  213.400   18.191  191.409   14.360 21.99089 23.17602 
1 1 1  -19   29   13 o  102.792   21.374   39.555   14.710   0.0000   0.0000   39.555   14.710  ?   ?   102.792   21.374 0.000000 21.37358 
1 1 1  -19   29   14 o  129.134   11.624   59.151   10.278   58.273   13.446   60.385   15.942  126.936   15.635  128.182   18.505 -1.246277 24.22602 
1 1 1  -19   29   15 o   97.569   17.801   35.503   11.578   34.149   12.511   43.576   30.549   94.960   19.683  102.768   35.420 -7.808403 40.52173 
1 1 1  -19   29   16 o   59.549   20.959   12.302   10.724   17.376   13.331   2.9950   18.055   68.594   23.406   58.145   24.968 10.44888 34.22338 
1 1 1  -19   29   17 o   51.189   21.990   2.1495   14.015   1.1034   25.568   2.5988   16.756   64.232   28.579   55.356   23.913 8.875282 37.26400 
1 1 1  -19   31    1 o  462.271   5.7970  739.922   18.547  663.903   35.500  768.462   21.752  437.497   11.724  471.058   6.6719 -33.56094 13.48945 
1 1 1  -19   31    2 o  153.477   10.655   82.066   11.248   40.600   21.557   97.579   13.185  105.819   28.706  167.341   11.453 -61.52121 30.90630 
1 1 1  -19   31    3 o  473.101   6.8028  775.215   22.275  748.293   37.079  790.417   27.863  464.446   11.535  477.610   8.4291 -13.16354 14.28650 
1 1 1  -19   31    4 o  676.664   7.3275  1586.17   34.317  1525.37   56.241  1622.23   43.314  662.944   12.257  684.113   9.1480 -21.16949 15.29470 
1 1 1  -19   31    5 o  463.987   6.7721  745.741   21.747  689.756   36.796  775.796   26.960  445.770   11.926  473.134   8.2331 -27.36371 14.49219 
1 1 1  -19   31    6 o  171.536   10.480  102.479   12.383   89.707   23.762  107.240   14.508  158.553   22.267  175.317   12.030 -16.76419 25.30878 
1 1 1  -19   31    7 f  282.081   7.4873  275.806   14.618  280.537   28.577  274.130   17.012  283.469   14.616  281.139   8.7427 2.329956 17.03085 
1 1 1  -19   31    8 o   94.010   19.203   32.098   12.072   20.951   22.680   36.504   14.260   83.499   30.348  100.042   21.251 -16.54277 37.04874 
1 1 1  -19   31    9 o  472.583   7.4209  774.891   24.272  731.219   38.062  804.823   31.511  458.105   12.005  481.230   9.4609 -23.12531 15.28474 
1 1 1  -19   31   10 o  197.409   12.037  136.532   16.368  191.024   25.353   97.589   21.433  232.675   15.838  165.090   19.111 67.58507 24.82087 
1 1 1  -19   31   11 o  128.872   16.466   59.526   14.351   52.878   24.115   63.171   17.857  117.603   29.638  131.724   20.234 -14.12106 35.88685 
1 1 1  -19   31   12 o  191.625   8.9422  128.011   11.860  144.420   15.196  102.439   18.970  202.904   10.860  169.230   16.402 33.67383 19.67119 
1 1 1  -19   31   13 o   86.113   17.844   27.483   10.286   34.928   13.031   15.176   16.753   96.653   20.133   69.955   25.972 26.69788 32.86141 
1 1 1  -19   31   14 o   99.863   14.622   36.207   9.8068   25.309   12.791   51.747   15.274   81.401   22.125  117.950   19.384 -36.54953 29.41553 
1 1 1  -19   31   15 o  136.591   11.267   66.367   10.556   73.769   13.465   54.565   17.003  143.131   13.762  119.638   21.316 23.49373 25.37257 
1 1 1  -19   31   16 o  150.611   10.652   80.710   11.032   87.612   13.889   68.911   18.159  155.936   12.987  134.493   20.127 21.44255 23.95309 
1 1 1  -19   31   17 o   58.211   24.794   5.3502   17.545   21.449   23.177 -16.2585   26.852   76.374   29.996   56.602   26.639 19.77160 40.11761 
1 1 1  -19   33    1 o  231.869   9.3265  186.361   14.967  181.951   25.530  188.670   18.475  228.152   16.274  233.203   11.447 -5.051498 19.89673 
1 1 1  -19   33    2 o  578.416   5.9260  1158.58   23.724  1052.19   44.355  1201.21   28.077  550.678   11.638  588.889   6.8887 -38.21185 13.52379 
1 1 1  -19   33    3 o  149.342   11.426   77.839   11.720   63.610   23.782   82.403   13.470  132.278   26.893  153.525   12.793 -21.24721 29.78124 
1 1 1  -19   33    4 o  363.373   8.5489  457.678   21.500  449.220   31.159  465.366   29.704  359.664   12.517  366.149   11.722 -6.485260 17.14872 
1 1 1  -19   33    5 o  203.958   10.754  144.768   15.127  119.317   24.901  159.656   19.044  183.739   19.899  213.963   12.921 -30.22342 23.72571 
1 1 1  -19   33    6 o  184.895   19.105  120.781   24.096  120.781   24.096   0.0000   0.0000  184.895   19.105  ?   ?  0.000000 19.10514 
1 1 1  -19   33    7 o  313.062   7.1486  339.776   15.489  297.317   28.376  357.795   18.486  292.098   14.036  321.154   8.3168 -29.05627 16.31511 
1 1 1  -19   33    8 o  338.625   8.4087  398.059   19.707  375.122   30.970  413.666   25.547  327.886   13.647  344.865   10.703 -16.97845 17.34351 
1 1 1  -19   33    9 o  300.988   7.2201  314.416   15.041  309.317   28.174  316.448   17.788  297.422   13.687  301.788   8.5160 -4.365723 16.11975 
1 1 1  -19   33   10 o   98.295   18.522   35.269   12.138   43.259   23.620   32.401   14.150  106.914   30.451   93.402   22.213 13.51194 37.69145 
1 1 1  -19   33   11 o   57.600   20.479   10.444   10.263   2.2890   12.888   24.580   16.969   51.443   21.546   82.310   26.342 -30.86716 34.03161 
1 1 1  -19   33   12 o  322.913   7.8407  363.099   17.523  391.171   24.453  333.463   25.125  334.316   10.568  308.254   11.776 26.06161 15.82302 
1 1 1  -19   33   13 o  122.024   12.566   53.051   10.460   58.712   13.192   43.463   17.169  127.611   15.237  106.521   23.878 21.08950 28.32573 
1 1 1  -19   33   14 o  179.930   10.368  114.203   12.857  118.842   14.307   94.732   29.313  183.223   11.338  154.657   28.432 28.56622 30.60945 
1 1 1  -19   33   15 o   94.133   15.806   32.806   9.9325   30.920   12.437   36.127   16.504   89.567   20.505   95.213   24.799 -5.646538 32.17806 
1 1 1  -19   33   16 o   47.313   19.490   3.8785   10.302   0.6114   12.996   9.4027   16.899   48.433   20.991   61.763   25.146 -13.33038 32.75578 
1 1 1  -19   33   17 o   55.122   20.748   9.9654   10.764   3.6020   13.970   19.263   16.886   51.891   22.113   70.742   26.112 -18.85124 34.21729 
1 1 1  -19   35    1 o  223.888   8.1341  173.716   12.604  152.049   25.138  180.992   14.568  208.176   17.612  228.482   9.2123 -20.30606 19.87586 
1 1 1  -19   35    2 o  339.794   7.2271  400.030   16.996  388.341   30.129  405.486   20.584  334.349   13.020  342.013   8.6960 -7.663666 15.65674 
1 1 1  -19   35    3 f  554.924   6.7958  1066.83   26.101  1065.37   46.350  1067.51   31.585  553.880   12.091  554.958   8.2232 -1.078552 14.62217 
1 1 1  -19   35    4 o  714.823   7.3196  1770.74   36.213  1767.32   63.239  1772.40   44.173  713.102   12.813  714.916   8.9273 -1.813904 15.61646 
1 1 1  -19   35    5 o  265.422   15.031  246.195   27.500  246.195   27.500   0.0000   0.0000  265.422   15.031  ?   ?  0.000000 15.03143 
1 1 1  -19   35    6 o  379.216   7.6167  498.665   19.991  436.780   31.974  538.380   25.615  354.207   13.043  393.817   9.3975 -39.61011 16.07555 
1 1 1  -19   35    7 o  295.572   8.4021  303.242   17.188  310.585   28.621  299.100   21.496  298.353   13.860  293.285   10.590 5.067657 17.44299 
1 1 1  -19   35    8 o  314.201   8.0583  342.809   17.524  307.902   28.078  365.082   22.428  296.823   13.667  323.948   10.003 -27.12500 16.93699 
1 1 1  -19   35    9 o  170.844   12.023  102.432   14.125  110.634   24.413   98.304   17.319  175.360   20.502  166.657   15.181 8.702393 25.51043 
1 1 1  -19   35   10 o  220.279   10.999  169.488   16.769  166.585   25.982  171.561   21.953  216.195   17.515  220.427   14.470 -4.231964 22.71906 
1 1 1  -19   35   11 o  194.730   9.0060  132.217   12.138  125.645   15.010  144.634   20.632  189.039   11.528  201.852   14.873 -12.81316 18.81732 
1 1 1  -19   35   12 o  205.146   8.4815  146.814   12.042  149.316   14.747  141.805   20.863  206.491   10.319  199.311   15.240 7.180115 18.40463 
1 1 1  -19   35   13 o   85.186   17.937   27.092   10.241   30.477   12.801   21.073   17.069   89.550   21.015   76.579   26.472 12.97061 33.79961 
1 1 1  -19   35   14 o   72.385   19.004   19.889   9.6417   11.288   12.490   32.573   15.167   60.193   22.410   91.213   23.781 -31.01963 32.67627 
1 1 1  -19   35   15 o   91.855   16.339   31.506   10.007   49.694   12.818   3.1218   16.012  115.818   16.453   55.474   23.658 60.34432 28.81687 
1 1 1  -19   35   16 o   46.007   20.676  -3.5911   13.744 -29.4585   25.327   7.2065   16.363   50.119   24.198   58.774   24.418 -8.655472 34.37706 
1 1 1  -19   37    1 o  164.649   10.538   94.465   11.946   87.561   24.398   96.642   13.700  156.343   23.256  166.377   11.978 -10.03397 26.15910 
1 1 1  -19   37    2 o  163.963   10.817   93.730   12.207  142.098   25.730   79.682   13.866  200.844   18.725  150.788   13.427 50.05638 23.04199 
1 1 1  -19   37    3 o  437.115   6.7959  662.090   20.560  616.097   35.777  684.767   25.123  421.027   12.278  444.407   8.1678 -23.37991 14.74645 
1 1 1  -19   37    4 o  372.253   6.3430  480.156   16.342  452.293   31.729  490.216   19.065  360.592   12.714  376.052   7.3252 -15.46005 14.67288 
1 1 1  -19   37    5 o  241.985   8.3026  203.154   13.905  208.146   26.732  201.301   16.281  243.607   15.943  240.762   9.7708 2.844635 18.69871 
1 1 1  -19   37    6 o  110.778   16.476   43.870   12.247   51.073   23.719   41.252   14.301  117.085   29.331  106.576   20.126 10.50893 35.57238 
1 1 1  -19   37    7 o  243.921   12.468  208.087   20.978  159.073   26.480  290.683   34.375  211.834   18.239  287.079   17.383 -75.24443 25.19585 
1 1 1  -19   37    8 o  158.007   13.151   87.904   14.251   42.624   22.811  116.892   18.252  106.455   29.787  182.028   14.610 -75.57361 33.17763 
1 1 1  -19   37    9 o   91.105   17.509   30.298   10.639   32.211   12.702   25.800   19.476   93.387   20.237   85.281   28.287 8.106361 34.78029 
1 1 1  -19   37   10 o   99.630   16.264   35.985   10.828   37.376   13.262   33.205   18.752  100.627   19.748   93.764   27.263 6.863335 33.66386 
1 1 1  -19   37   11 o  140.548   11.453   69.730   11.044   70.683   13.688   67.951   18.697  140.767   14.246  135.872   20.521 4.895187 24.98115 
1 1 1  -19   37   12 o  285.209   7.1448  283.279   14.104  273.980   17.269  301.902   24.439  280.000   8.9113  292.736   12.062 -12.73615 14.99708 
1 1 1  -19   37   13 o   86.553   19.963   28.443   11.715   28.633   12.589   27.215   31.992   86.503   21.194   90.100   35.285 -3.597527 41.16115 
1 1 1  -19   37   14 o   39.965   17.660  -2.0195   9.6007   13.051   12.586 -22.9924   14.848   62.401   22.618   37.507   18.210 24.89489 29.03792 
1 1 1  -19   37   15 o   59.308   20.218   12.681   9.9468   6.8126   12.837   21.497   15.735   54.501   22.015   74.629   25.429 -20.12811 33.63488 
1 1 1  -19   37   16 o   49.614   19.868   6.0354   10.358  -7.8518   13.553   25.535   16.060   42.455   19.624   78.684   25.667 -36.22867 32.30921 
1 1 1  -19   39    1 o  664.617   9.1127  1532.65   41.918   0.0000   0.0000  1532.65   41.918  ?   ?   664.617   9.1127 0.000000 9.112738 
1 1 1  -19   39    2 o  438.771   6.0908  667.053   18.496  604.878   35.175  690.816   21.746  417.047   12.186  446.425   7.0380 -29.37747 14.07253 
1 1 1  -19   39    3 o  149.544   11.883   78.267   12.197   49.171   24.896   87.457   13.992  115.229   30.674  157.982   12.909 -42.75307 33.27983 
1 1 1  -19   39    4 o  271.895   7.4947  256.405   14.104  282.098   28.814  248.310   16.174  283.914   14.714  267.461   8.7371 16.45294 17.11261 
1 1 1  -19   39    5 o  182.495   10.026  116.126   12.615  143.366   25.509  107.308   14.514  201.156   18.531  175.107   12.049 26.04898 22.10403 
1 1 1  -19   39    6 o  153.342   14.596   83.004   15.304   87.707   23.801   79.689   19.982  155.579   22.778  148.973   19.876 6.606552 30.23096 
1 1 1  -19   39    7 o  209.814   9.0038  153.099   13.075  131.463   25.071  161.182   15.324  191.878   19.134  215.118   10.292 -23.24051 21.72636 
1 1 1  -19   39    8 o  126.604   11.853   56.499   10.266   30.630   13.179   96.409   16.370   90.875   21.321  165.078   14.474 -74.20303 25.76978 
1 1 1  -19   39    9 o   68.354   24.639   14.746   14.905  -5.6732   22.996   29.537   19.572   61.114   27.152   89.459   28.255 -28.34577 39.18614 
1 1 1  -19   39   10 o   59.945   20.747   11.926   10.487   9.1798   12.549   18.283   19.093   58.511   22.312   75.762   27.798 -17.25076 35.64474 
1 1 1  -19   39   11 o  194.208   9.2348  131.811   12.413  122.709   15.026  151.366   22.026  186.484   11.702  205.729   15.584 -19.24507 19.48846 
1 1 1  -19   39   12 o  181.131   9.1097  115.107   11.384  112.968   13.756  119.756   20.277  178.822   11.171  182.108   16.259 -3.286423 19.72672 
1 1 1  -19   39   13 o   70.055   19.125   18.595   9.5332   21.799   12.596   14.298   14.586   75.465   22.454   65.967   24.282 9.498413 33.07264 
1 1 1  -19   39   14 o   90.062   16.802   30.412   10.088   30.193   13.175   30.723   15.684   87.829   21.780   87.651   24.761 0.1782532 32.97714 
1 1 1  -19   39   15 o   79.264   19.701   24.571   10.761   34.331   14.600   12.963   15.922   92.388   22.939   64.185   24.960 28.20269 33.89948 
1 1 1  -19   41    1 o  233.055   7.9555  188.441   12.832  129.268   24.822  210.022   14.991  190.974   19.033  245.968   8.8058 -54.99432 20.97176 
1 1 1  -19   41    2 o   38.783   18.541 -18.9268   14.039   0.0000   0.0000 -18.9268   14.039  ?   ?    38.783   18.541 0.000000 18.54129 
1 1 1  -19   41    3 o  250.807   7.7852  218.283   13.514  191.707   26.447  227.673   15.721  233.374   16.480  256.041   8.8717 -22.66626 18.71614 
1 1 1  -19   41    4 o  328.109   6.7470  373.392   15.322  363.512   30.635  376.687   17.693  322.600   13.721  329.434   7.7601 -6.834045 15.76331 
1 1 1  -19   41    5 o  155.003   11.016   84.117   11.741   75.024   23.121   87.276   13.629  143.148   24.199  157.625   12.598 -14.47699 27.28234 
1 1 1  -19   41    6 o  305.801   8.4568  325.062   17.899  308.878   28.465  335.646   23.019  296.979   13.849  310.320   10.718 -13.34094 17.51160 
1 1 1  -19   41    7 o  121.209   12.341   51.906   10.208   41.823   13.518   65.285   15.572  107.103   18.929  134.959   17.052 -27.85638 25.47689 
1 1 1  -19   41    8 o   54.731   20.048   8.8141   9.9255   24.948   13.103 -12.9060   15.203   81.892   22.449   44.060   20.510 37.83253 30.40726 
1 1 1  -19   41    9 o  254.147   6.9877  224.556   12.291  204.432   15.927  254.189   19.327  242.017   9.5084  269.654   10.356 -27.63678 14.05906 
1 1 1  -19   41   10 o   77.586   18.453   22.434   9.7647   37.422   12.598  -0.1186   15.454  100.590   18.787   53.214   22.976 47.37679 29.67902 
1 1 1  -19   41   11 o   36.209   16.730  -7.3092   9.8356   4.7214   12.636 -25.8024   15.667   53.014   21.682   38.180   18.576 14.83479 28.55144 
1 1 1  -19   41   12 o   53.352   20.793   7.2359   11.068   13.072   12.055 -24.1073   27.937   62.364   22.192   57.046   26.946 5.318169 34.90847 
1 1 1  -19   41   13 o   45.624   18.656   3.5383   9.3525   12.456   12.491  -7.8390   14.109   61.499   22.496   44.260   20.300 17.23926 30.30093 
1 1 1  -19   41   14 o   60.661   22.458   12.192   12.509   29.122   23.939   5.8323   14.672   85.437   31.159   55.905   23.165 29.53225 38.82690 
1 1 1  -19   41   15 o  114.836   13.977   48.546   10.880   37.729   14.368   63.084   16.657   96.954   21.926  127.838   19.438 -30.88448 29.30155 
1 1 1  -19   43    1 f   85.953   19.065   27.027   11.045   8.4195   21.757   33.486   12.819   70.490   28.595   95.693   19.999 -25.20240 34.89468 
1 1 1  -19   43    2 o   78.121   20.232   22.373   11.026   20.927   23.125   22.798   12.544   83.264   30.586   79.004   22.083 4.259384 37.72465 
1 1 1  -19   43    3 o  262.695   8.5843  239.790   15.607   0.0000   0.0000  239.790   15.607  ?   ?   262.695   8.5843 0.000000 8.584258 
1 1 1  -19   43    4 o  336.800   6.5545  393.560   15.279  393.171   30.153  393.694   17.722  335.370   12.991  336.707   7.6048 -1.336548 15.05293 
1 1 1  -19   43    5 o   94.791   21.620   33.260   13.870   30.268   22.089   35.207   17.821   91.898   30.107   97.032   26.008 -5.133667 39.78488 
1 1 1  -19   43    6 o  210.596   7.6339  154.134   11.127  149.442   14.759  160.314   16.937  207.005   10.301  213.905   11.483 -6.899750 15.42599 
1 1 1  -19   43    7 o   54.913   19.964   9.0340   9.8163   16.516   12.997  -0.9007   14.977   69.135   23.114   52.152   22.568 16.98263 32.30446 
1 1 1  -19   43    8 o  183.221   10.902  117.866   13.762  103.512   24.606  124.400   16.601  168.100   21.652  187.731   12.854 -19.63068 25.18051 
1 1 1  -19   43    9 o  103.453   16.544   38.982   11.447   42.283   16.408   35.853   15.976  105.722   23.072   97.021   23.939 8.701103 33.24800 
1 1 1  -19   43   10 o   65.550   19.681   15.818   9.6446   19.948   12.270   9.1400   15.601   73.208   22.248   61.912   24.516 11.29590 33.10638 
1 1 1  -19   43   11 o  113.330   15.217   46.655   11.634   36.359   12.908   91.220   26.855   98.282   19.663  153.379   26.241 -55.09656 32.79086 
1 1 1  -19   43   12 o   50.929   19.319   7.3350   9.3764   4.1860   12.602   11.240   14.033   51.906   21.486   61.671   23.577 -9.764832 31.89803 
1 1 1  -19   43   13 o   96.399   15.604   34.426   10.055   47.490   13.785   19.576   14.698  112.292   18.373   72.120   24.577 40.17188 30.68562 
1 1 1  -19   43   14 o   51.055   19.596   7.5505   9.7186  -9.1447   13.355   26.346   14.170   41.515   19.291   80.776   23.760 -39.26145 30.60513 
1 1 1  -19   45    1 o  316.392   7.3953  347.585   16.194  365.610   30.151  340.277   19.198  323.233   13.477  312.818   8.8674 10.41464 16.13299 
1 1 1  -19   45    2 o  202.938   8.6441  143.195   12.141  127.366   24.196  148.521   14.036  188.886   18.756  206.537   9.8192 -17.65149 21.17104 
1 1 1  -19   45    3 o  114.256   14.540   46.513   11.237   18.073   22.577   55.878   12.956   79.533   30.024  125.224   15.265 -45.69112 33.68135 
1 1 1  -19   45    4 o  148.582   13.446   77.985   13.678   0.0000   0.0000   77.985   13.678  ?   ?   148.582   13.446 0.000000 13.44623 
1 1 1  -19   45    5 o   42.068   19.149  -7.0810   12.249 -22.8293   21.362   0.6322   14.950   49.708   23.505   53.501   22.840 -3.793312 32.77427 
1 1 1  -19   45    6 o   78.593   18.320   22.828   9.7815   25.400   12.812   19.234   15.145   82.532   22.021   74.303   24.950 8.229393 33.27825 
1 1 1  -19   45    7 o  349.474   7.2654  424.761   17.573  393.610   29.741  441.472   21.783  334.650   12.841  355.856   8.8442 -21.20520 15.59163 
1 1 1  -19   45    8 o  196.017   9.7276  134.307   13.197  125.756   15.129  161.512   26.987  188.930   11.627  211.429   18.632 -22.49931 21.96241 
1 1 1  -19   45    9 o   92.844   17.591   31.863   10.890   23.513   13.069   50.829   19.697   78.921   22.706  114.819   25.454 -35.89729 34.11001 
1 1 1  -19   45   10 o  109.881   13.544   43.439   10.082   43.545   13.327   43.298   15.417  108.341   18.433  106.803   21.598 1.538803 28.39479 
1 1 1  -19   45   11 o   46.416   18.957   3.6301   9.6430   9.8285   12.736  -4.6978   14.762   58.649   22.451   47.814   21.462 10.83474 31.05919 
1 1 1  -19   45   12 o   58.123   19.886   11.906   9.6225   16.128   13.322   7.3012   13.914   66.984   23.373   56.819   22.931 10.16526 32.74321 
1 1 1  -19   45   13 o   40.464   18.655  -7.4291   12.129 -34.4634   20.269   7.6510   15.138   41.847   20.523   58.180   23.756 -16.33364 31.39341 
1 1 1  -19   45   14 o   72.896   19.576   20.966   10.085   20.630   14.001   21.329   14.540   71.977   23.988   73.017   24.447 -1.039917 34.25075 
1 1 1  -19   47    1 o   42.472   18.783  -3.0941   10.883  -2.2424   21.727  -3.3793   12.574   61.783   26.955   45.723   20.207 16.06041 33.68834 
1 1 1  -19   47    2 o   27.365   13.678 -28.9800   10.746 -62.2439   21.258 -17.5633   12.454   37.064   18.625   35.957   17.263 1.106949 25.39451 
1 1 1  -19   47    3 o   89.577   18.639   29.517   11.180   44.239   21.410   23.997   13.109  107.765   28.331   80.492   22.602 27.27206 36.24191 
1 1 1  -19   47    4 o   60.052   23.382   8.6883   13.986 -25.7122   22.421   30.599   17.894   50.023   23.779   90.419   26.730 -40.39636 35.77573 
1 1 1  -19   47    5 o  210.097   8.5982  153.766   12.503  182.244   18.987  131.962   16.613  227.687   12.092  193.547   12.468 34.13997 17.36870 
1 1 1  -19   47    6 o  209.331   7.7645  152.536   11.249  146.029   14.844  161.316   17.242  204.048   10.547  214.174   11.676 -10.12587 15.73403 
1 1 1  -19   47    7 o  106.369   14.078   40.640   10.109   29.013   13.515   55.409   15.232   87.598   22.249  123.082   18.449 -35.48339 28.90286 
1 1 1  -19   47    8 o   61.893   20.169   13.599   9.9183   9.4418   13.263   18.873   14.939   59.396   22.869   72.912   24.778 -13.51560 33.71841 
1 1 1  -19   47    9 o   74.976   19.296   21.196   10.072   14.620   13.391   29.762   15.284   65.856   23.394   87.777   24.319 -21.92033 33.74516 
1 1 1  -19   47   10 o   91.822   18.883   31.775   11.600   29.036   12.961   42.800   25.999   86.856   21.640  102.065   32.600 -15.20877 39.12901 
1 1 1  -19   47   11 o  114.200   13.402   47.151   10.391   45.295   13.634   49.723   16.051  109.808   18.604  113.957   21.129 -4.148682 28.15221 
1 1 1  -19   47   12 o  125.830   12.270   56.979   10.550   59.068   14.969   54.918   14.871  125.650   17.703  120.745   18.375 4.904808 25.51557 
1 1 1  -19   47   13 o   37.200   17.169  -6.5553   10.314   2.3753   14.732 -15.1396   14.443   52.332   22.515   39.971   19.025 12.36103 29.47633 
1 1 1  -19   49    1 o  250.548   7.6052  218.317   13.188  231.854   26.800  213.992   15.149  255.881   15.201  247.840   8.8317 8.041534 17.58042 
1 1 1  -19   49    2 o   47.173   19.771   1.7792   10.865   27.317   21.580  -6.8923   12.575   87.539   29.781   42.794   19.449 44.74584 35.56916 
1 1 1  -19   49    3 o   43.111   18.984  -2.5050   11.001   20.844   20.984 -11.3536   12.918   80.129   29.181   40.404   18.840 39.72590 34.73425 
1 1 1  -19   49    4 o  115.248   12.501   47.178   9.8117   53.228   13.205   39.720   14.661  121.534   16.095  103.198   21.234 18.33536 26.64441 
1 1 1  -19   49    5 o   52.511   19.331   8.1070   9.2449  -2.2491   12.124   22.492   14.290   45.522   19.991   77.999   24.066 -32.47717 31.28591 
1 1 1  -19   49    6 o   72.194   24.366   18.422   14.445   0.0000   0.0000   18.422   14.445  ?   ?    72.194   24.366 0.000000 24.36643 
1 1 1  -19   49    7 o  243.780   10.635  208.536   17.943   0.0000   0.0000  208.536   17.943  ?   ?   243.780   10.635 0.000000 10.63465 
1 1 1  -19   49    8 o   66.824   19.737   16.614   9.7597   26.774   12.936   3.1915   14.869   83.683   22.033   54.804   23.058 28.87887 31.89227 
1 1 1  -19   49    9 o   47.381   19.021   4.5206   9.5188   8.8314   12.917  -0.6026   14.082   57.745   22.474   49.948   21.749 7.796543 31.27430 
1 1 1  -19   49   10 o   51.849   21.210   4.9299   12.094   19.551   20.264  -3.1596   15.073   75.681   28.472   49.306   21.940 26.37538 35.94450 
1 1 1  -19   49   11 o  131.666   11.870   62.134   10.701   67.077   14.500   56.221   15.858  135.116   15.804  121.758   19.474 13.35809 25.07942 
1 1 1  -19   49   12 o   55.107   21.833   8.0677   12.379  -1.2976   21.460   12.737   15.154   58.549   26.107   63.317   24.426 -4.768467 35.75187 
1 1 1  -19   49   13 o   54.592   20.311   9.9226   10.257   21.067   14.294  -1.9064   14.727   72.317   24.240   48.429   21.608 23.88763 32.47269 
1 1 1  -19   51    1 o   57.321   21.117   9.7627   11.034  -2.3780   22.186   13.753   12.719   61.698   27.070   64.704   22.820 -3.005711 35.40484 
1 1 1  -19   51    2 o  152.388   10.905   81.739   11.425   84.634   22.317   80.711   13.300  151.371   21.942  150.928   12.855 0.4434967 25.43000 
1 1 1  -19   51    3 o   85.658   23.036   27.742   13.954   39.878   22.179   19.791   17.952  101.334   29.703   76.371   27.092 24.96289 40.20274 
1 1 1  -19   51    4 o  151.413   9.7059   80.489   10.118   86.763   13.330   71.961   15.541  156.537   12.405  141.315   16.181 15.22249 20.38897 
1 1 1  -19   51    5 o  189.860   8.0810  125.713   10.619  116.120   14.372  137.245   15.758  181.408   11.507  197.249   11.594 -15.84174 16.33436 
1 1 1  -19   51    6 o  253.343   6.7855  223.427   11.898  218.316   16.013  229.725   17.777  249.794   9.2623  255.995   10.033 -6.201340 13.65496 
1 1 1  -19   51    7 o   52.432   20.304   7.0616   10.503   0.9463   14.704   13.432   15.007   52.479   22.533   65.728   24.546 -13.24839 33.32012 
1 1 1  -19   51    8 o  169.604   9.4301  101.225   11.026  108.635   15.137   92.849   16.093  174.604   12.610  160.536   14.645 14.06779 19.32609 
1 1 1  -19   51    9 o   58.920   21.465   11.309   11.356   15.594   13.494   0.9098   21.021   66.587   23.503   60.724   26.503 5.863125 35.42281 
1 1 1  -19   51   10 o   94.714   16.583   33.513   10.474   42.557   14.012   22.059   15.769  105.472   19.925   75.784   25.459 29.68770 32.32916 
1 1 1  -19   51   11 f   43.458   19.458  -3.2267   12.052   13.390   20.839 -11.5784   14.774   68.916   27.975   42.689   19.985 26.22720 34.38050 
1 1 1  -19   51   12 o  113.630   13.700   47.478   10.557   53.123   14.832   41.683   15.029  117.373   18.900  101.908   21.956 15.46547 28.97055 
1 1 1  -19   53    1 o  163.490   12.162   94.579   13.663   75.317   23.253  104.737   16.886  140.938   24.741  171.365   14.370 -30.42668 28.61128 
1 1 1  -19   53    2 o  135.152   15.710   65.848   14.421   65.854   22.353   65.844   18.874  131.140   25.546  133.054   21.208 -1.913773 33.20184 
1 1 1  -19   53    3 o  200.321   7.8692  139.921   10.910  144.428   14.831  134.607   16.106  202.632   10.612  195.166   11.982 7.465683 16.00561 
1 1 1  -19   53    4 o  178.238   8.6225  110.989   10.637  113.600   14.388  107.842   15.796  179.263   11.660  174.123   13.205 5.139954 17.61644 
1 1 1  -19   53    5 o  160.693   11.277   91.334   12.462   80.780   22.709   95.882   14.907  146.081   23.239  164.003   13.246 -17.92168 26.74946 
1 1 1  -19   53    6 o   81.402   19.774   25.149   11.031   43.483   16.551   10.496   14.796  106.212   23.167   62.011   24.076 44.20072 33.41155 
1 1 1  -19   53    7 o  136.001   11.026   65.656   10.290   60.470   13.504   72.835   15.888  128.936   15.440  141.164   16.577 -12.22734 22.65381 
1 1 1  -19   53    8 o  151.553   14.108   82.904   14.629  105.122   18.376   44.463   24.171  169.948   15.804  103.163   31.198 66.78434 34.97263 
1 1 1  -19   53    9 o   48.726   20.472   2.8381   11.694   11.322   18.388  -2.9235   15.153   65.624   26.404   49.355   21.978 16.26898 34.35404 
1 1 1  -19   53   10 o   80.601   18.821   25.097   10.309   18.706   13.924   32.853   15.337   70.151   23.921   90.126   24.115 -19.97429 33.96665 
1 1 1  -19   53   11 o   38.734   17.780  -5.9340   10.856 -26.4855   15.615   13.297   15.105   36.921   18.088   63.426   24.409 -26.50498 30.38020 
1 1 1  -19   55    1 o  106.853   15.429   41.524   11.080   20.073   20.613   50.239   13.139   77.690   28.816  117.291   16.653 -39.60079 33.28180 
1 1 1  -19   55    2 o   77.338   29.290   19.141   21.530   19.141   21.530   0.0000   0.0000   77.338   29.290  ?   ?  0.000000 29.28966 
1 1 1  -19   55    3 o   32.080   15.213 -10.3957   9.0712   0.6266   12.057 -24.7752   13.771   47.692   20.439   34.945   17.091 12.74728 26.64341 
1 1 1  -19   55    4 o   87.580   16.422   28.395   9.5887   33.958   13.172   22.124   13.986   94.482   20.714   76.466   23.845 18.01637 31.58533 
1 1 1  -19   55    5 o   59.687   19.744   12.702   9.4915   12.663   12.919   12.749   13.990   62.525   22.877   63.652   23.714 -1.127407 32.95010 
1 1 1  -19   55    6 o  108.885   15.296   43.359   11.209   43.644   13.802   42.805   19.212  107.670   19.226  103.316   26.681 4.354240 32.88651 
1 1 1  -19   55    7 o  139.059   10.432   68.602   9.9671   57.338   13.034   84.465   15.467  125.249   15.358  152.573   14.835 -27.32376 21.35258 
1 1 1  -19   55    8 o   33.168   15.784 -11.4983   9.9311  -7.1943   13.329 -16.8689   14.889   43.079   19.748   40.264   19.206 2.815010 27.54749 
1 1 1  -19   55    9 o  157.126   11.701   88.487   12.634   73.951   20.173   97.867   16.205  137.844   21.876  163.850   14.438 -26.00673 26.21033 
1 1 1  -19   55   10 o  110.721   21.235   48.412   15.681   0.0000   0.0000   48.412   15.681  ?   ?   110.721   21.235 0.000000 21.23523 
1 1 1  -19   57    1 o   95.304   21.468   34.826   13.821   37.590   20.444   32.499   18.756   96.837   28.556   90.678   27.495 6.158684 39.64105 
1 1 1  -19   57    2 o  113.188   15.626   46.790   11.915   9.5951   20.845   64.838   14.521   67.523   27.759  133.365   16.054 -65.84213 32.06688 
1 1 1  -19   57    3 o  123.408   12.715   54.605   10.705   38.797   13.024   87.512   18.792  101.460   19.252  154.180   17.946 -52.72038 26.31880 
1 1 1  -19   57    4 o  104.963   14.045   40.015   9.9474   20.899   13.773   60.858   14.382   74.218   23.730  128.777   16.517 -54.55871 28.91250 
1 1 1  -19   57    5 o  132.970   11.315   63.002   10.314   58.661   13.644   68.792   15.756  126.505   15.936  136.614   17.034 -10.10926 23.32669 
1 1 1  -19   57    6 o   47.352   19.058   4.6511   9.5826   12.282   12.638  -5.6685   14.697   61.227   22.592   46.669   21.139 14.55770 30.93949 
1 1 1  -19   57    7 f   92.131   18.393   32.338   11.318   35.073   13.080   24.190   22.573   95.109   20.477   80.441   30.091 14.66823 36.39789 
1 1 1  -19   57    8 o   92.367   15.952   31.972   9.8295   36.512   13.530   26.897   14.304   96.504   20.865   81.707   23.827 14.79740 31.67100 
1 1 1  -19   57    9 o   63.984   20.162   15.810   9.9708   23.787   13.491   6.2092   14.801   76.652   23.337   55.731   23.194 20.92075 32.90251 
1 1 1  -19   59    1 o   52.331   20.608   6.7728   10.967   7.8390   21.216   6.3839   12.812   65.963   27.637   54.476   21.997 11.48745 35.32242 
1 1 1  -19   59    2 o  151.191   9.8223   80.799   10.222   77.549   13.557   85.082   15.563  146.749   13.499  153.144   14.871 -6.395020 20.08405 
1 1 1  -19   59    3 o   73.659   21.532   20.916   11.669  -4.7693   20.550   33.140   14.177   56.192   25.265   91.977   22.464 -35.78543 33.80724 
1 1 1  -19   59    4 o   55.362   21.646   8.2154   12.026   4.9024   16.092   12.405   18.097   57.207   24.024   66.451   26.376 -9.244007 35.67683 
1 1 1  -19   59    5 o   43.486   18.338   1.7855   9.4395   6.5535   12.848  -3.8069   13.915   54.365   22.002   46.540   20.868 7.825253 30.32373 
1 1 1  -19   59    6 o   73.630   19.002   20.973   9.7484   28.413   13.193   12.024   14.468   84.590   22.239   62.142   23.896 22.44734 32.64352 
1 1 1  -19   59    7 o   88.625   16.474   29.702   9.7330   28.908   13.408   30.586   14.151   84.839   22.475   87.000   23.111 -2.160324 32.23725 
1 1 1  -19   59    8 o   46.848   18.947   4.8490   9.5215 -16.5049   12.886   30.524   14.130   36.233   17.436   86.306   23.169 -50.07343 28.99703 
1 1 1  -19   61    1 o   70.947   23.439   19.161   13.377   0.0000   0.0000   19.161   13.377  ?   ?    70.947   23.439 0.000000 23.43865 
1 1 1  -19   61    2 o  136.364   10.970   66.342   10.266   54.477   13.682   81.626   15.529  121.050   16.782  149.378   15.233 -28.32753 22.66472 
1 1 1  -19   61    3 o  183.286   8.5896  118.082   10.896  130.048   14.829  104.041   16.064  190.981   11.269  169.484   13.815 21.49649 17.82783 
1 1 1  -19   61    4 o   83.135   19.363   26.811   10.934   35.091   13.370   10.093   18.998   94.622   20.967   64.491   26.505 30.13107 33.79562 
1 1 1  -19   61    5 o   94.367   16.887   33.691   10.625   43.841   13.255   15.449   17.770  107.084   18.557   68.190   26.409 38.89319 32.27702 
1 1 1  -19   61    6 o   59.460   21.513   12.451   11.378  -0.7219   13.192   50.732   22.488   47.218   20.791  107.603   29.373 -60.38529 35.98663 
1 1 1  -19   63    1 o  136.562   11.141   66.842   10.439   76.093   14.174   55.880   15.431  144.159   14.399  120.851   19.082 23.30750 23.90486 
1 1 1  -19   63    2 o  112.679   20.085   49.255   15.089   0.0000   0.0000   49.255   15.089  ?   ?   112.679   20.085 0.000000 20.08463 
1 1 1  -19   63    3 o   57.280   20.037   11.741   9.7928   4.5575   13.244   20.407   14.546   52.206   21.852   72.081   24.451 -19.87453 32.79205 
1 1 1  -19   63    4 o  163.498   9.6257   95.069   10.844  103.489   14.915   85.625   15.795  168.863   12.858  152.111   15.207 16.75208 19.91469 
1 1 1  -18    0    1 o  117.013   14.522   49.565   11.273   49.565   11.273   49.565   11.273  117.013   14.522  117.013   14.522 0.000000 0.000000 
1 1 1  -18    0    2 o   51.698   26.136   13.604   11.614   13.604   11.614   13.604   11.614   51.698   26.136   51.698   26.136 0.000000 0.000000 
1 1 1  -18    0    3 o  451.327   10.602  706.341   33.075  706.341   33.075  706.341   33.075  451.327   10.602  451.327   10.602 0.000000 0.000000 
1 1 1  -18    0    4 o   55.074   27.424   15.469   12.686   15.469   12.686   15.469   12.686   55.074   27.424   55.074   27.424 0.000000 0.000000 
1 1 1  -18    0    5 o  1062.20   11.170  3907.18   82.097  3907.18   82.097  3907.18   82.097  1062.20   11.170  1062.20   11.170 0.000000 0.000000 
1 1 1  -18    0    6 o  1375.69   13.806  6554.65  131.417  6554.65  131.417  6554.65  131.417  1375.69   13.806  1375.69   13.806 0.000000 0.000000 
1 1 1  -18    0    7 o  363.206   8.6033  457.377   21.600  457.377   21.600  457.377   21.600  363.206   8.6033  363.206   8.6033 0.000000 0.000000 
1 1 1  -18    0    8 o  530.758   8.4960  975.833   31.192  975.833   31.192  975.833   31.192  530.758   8.4960  530.758   8.4960 0.000000 0.000000 
1 1 1  -18    0    9 o  413.371   11.975  593.171   34.196  593.171   34.196  593.171   34.196  413.371   11.975  413.371   11.975 0.000000 0.000000 
1 1 1  -18    0   10 o  643.310   9.2184  1433.72   41.025  1433.72   41.025  1433.72   41.025  643.310   9.2184  643.310   9.2184 0.000000 0.000000 
1 1 1  -18    0   11 o  625.807   9.3991  1357.12   40.689  1357.12   40.689  1357.12   40.689  625.807   9.3991  625.807   9.3991 0.000000 0.000000 
1 1 1  -18    0   12 o  139.262   17.719   70.522   16.324   70.522   16.324   70.522   16.324  139.262   17.719  139.262   17.719 0.000000 0.000000 
1 1 1  -18    0   13 o   47.347   28.474   7.9951   16.869   7.9951   16.869   7.9951   16.869   47.347   28.474   47.347   28.474 0.000000 0.000000 
1 1 1  -18    0   14 o   72.272   30.298   26.004   15.215   26.004   15.215   26.004   15.215   72.272   30.298   72.272   30.298 0.000000 0.000000 
1 1 1  -18    0   15 o   51.306   28.692   12.998   15.256   12.998   15.256   12.998   15.256   51.306   28.692   51.306   28.692 0.000000 0.000000 
1 1 1  -18    0   16 o   58.391   29.384   18.367   14.640   18.367   14.640   18.367   14.640   58.391   29.384   58.391   29.384 0.000000 0.000000 
1 1 1  -18    0   17 o  293.869   17.939  311.561   36.174  311.561   36.174  311.561   36.174  293.869   17.939  293.869   17.939 0.000000 0.000000 
1 1 1  -18    0   18 o  147.686   17.419   81.685   17.154   81.685   17.154   81.685   17.154  147.686   17.419  147.686   17.419 0.000000 0.000000 
1 1 1  -18    0   19 o  133.184   18.420   68.820   16.053   68.820   16.053   68.820   16.053  133.184   18.420  133.184   18.420 0.000000 0.000000 
1 1 1  -18    0   20 o   61.549   32.850   27.415   19.054   27.415   19.054   27.415   19.054   61.549   32.850   61.549   32.850 0.000000 0.000000 
1 1 1  -18    2    1 o  263.014   5.6328  239.505   10.254  237.884   14.501  241.126   14.501  262.059   7.9950  263.841   7.9411 -1.781128 11.26859 
1 1 1  -18    2    2 o  123.951   10.229   53.608   8.6966   57.541   12.319   49.701   12.279  127.993   14.142  118.671   15.307 9.321243 20.84000 
1 1 1  -18    2    3 o  433.512   7.4725  650.823   22.420  681.951   32.181  621.463   31.254  443.603   10.482  423.462   10.664 20.14072 14.95253 
1 1 1  -18    2    4 o  737.075   7.1513  1881.18   36.482  1949.76   65.250  1850.00   44.002  749.919   12.572  730.835   8.6990 19.08350 15.28784 
1 1 1  -18    2    5 o  769.968   6.4021  2052.47   34.117  2079.50   48.776  2026.58   47.738  774.853   9.0952  764.936   9.0169 9.917297 12.80733 
1 1 1  -18    2    6 o  1425.47   10.051  7038.35   99.165  6989.91  139.181  7088.28  141.324  1419.89   14.163  1429.83   14.281 -9.933838 20.11283 
1 1 1  -18    2    7 o  1262.84   9.1140  5522.98   79.659  5428.66  110.792  5623.92  114.615  1251.56   12.790  1273.84   13.000 -22.27844 18.23722 
1 1 1  -18    2    8 o  104.374   16.888   38.764   11.783   11.170   16.994   64.310   16.352   68.141   25.970  134.933   17.955 -66.79164 31.57247 
1 1 1  -18    2    9 o  546.383   8.5524  1034.00   32.342  1012.20   43.491  1060.98   48.374  540.392   11.628  553.180   12.635 -12.78784 17.17129 
1 1 1  -18    2   10 o  401.219   7.5230  557.539   20.890  548.420   26.140  573.659   34.755  397.826   9.4936  406.689   12.347 -8.863312 15.57519 
1 1 1  -18    2   11 o  204.741   12.225  145.981   17.245  163.366   27.278  134.408   22.257  215.821   18.439  195.890   16.572 19.93086 24.79132 
1 1 1  -18    2   12 f  187.011   10.557  121.743   13.609  123.073   29.934  121.396   15.279  185.841   23.821  186.597   11.893 -0.7563019 26.62469 
1 1 1  -18    2   13 o  129.606   12.864   59.042   11.387   49.404   15.823   69.393   16.399  117.014   20.273  139.822   17.316 -22.80782 26.66150 
1 1 1  -18    2   14 o   97.034   16.655   33.951   10.782   35.253   15.005   32.561   15.505   97.746   22.627   93.831   23.830 3.914291 32.86094 
1 1 1  -18    2   15 f  286.613   7.0235  285.274   13.932  280.324   19.461  290.478   19.955  283.624   9.9141  288.700   9.9867 -5.076477 14.07212 
1 1 1  -18    2   16 o   42.717   18.358  -0.2579   9.7760   21.784   13.543 -24.2368   14.126   76.933   23.373   36.144   17.597 40.78878 29.25645 
1 1 1  -18    2   17 o   32.369   15.553 -14.2864   10.157  -5.4762   14.925 -21.8860   13.862   47.992   21.559   36.483   17.686 11.50953 27.88504 
1 1 1  -18    2   18 o  145.081   11.875   74.893   11.820   70.986   16.853   78.676   16.582  138.819   17.962  146.862   16.605 -8.042557 24.46126 
1 1 1  -18    2   19 o  112.047   15.747   46.309   11.875   39.706   15.233   56.537   18.958  100.582   22.451  119.798   23.704 -19.21597 32.64825 
1 1 1  -18    2   20 o   55.655   21.789   8.9976   12.196 -28.6976   19.703   32.413   15.529   42.584   20.744   88.479   24.514 -45.89529 32.11271 
1 1 1  -18    4    1 o  280.265   5.5304  271.944   10.728  265.291   15.235  278.487   15.108  276.749   7.9537  283.557   7.6985 -6.807831 11.06924 
1 1 1  -18    4    2 o  496.788   5.3234  854.396   18.304  867.176   25.996  841.832   25.776  500.392   7.5061  493.023   7.5540 7.368988 10.64916 
1 1 1  -18    4    3 o  368.931   7.6045  471.363   19.418  483.854   27.573  459.073   27.350  373.654   10.662  363.950   10.858 9.703857 15.21718 
1 1 1  -18    4    4 o  863.813   7.8599  2584.01   46.991  2612.68   82.454  2570.22   57.187  867.961   13.726  861.355   9.5926 6.605103 16.74549 
1 1 1  -18    4    5 o  593.350   5.7582  1218.76   23.647  1222.55   33.506  1214.99   33.377  594.173   8.1476  592.331   8.1416 1.841614 11.51826 
1 1 1  -18    4    6 o  1118.05   8.2502  4328.59   63.842  4285.32   89.448  4373.53   91.148  1112.10   11.621  1123.48   11.722 -11.37476 16.50633 
1 1 1  -18    4    7 o  851.211   6.8990  2508.47   40.645  2445.58   56.216  2577.35   58.834  840.298   9.6660  862.625   9.8544 -22.32648 13.80365 
1 1 1  -18    4    8 o  416.915   6.9797  601.798   20.140  608.150   25.072  590.244   33.815  419.055   8.6446  412.706   11.839 6.348663 14.65875 
1 1 1  -18    4    9 o  428.197   6.9799  634.878   20.686  640.976   34.983  631.600   25.651  430.016   11.754  427.022   8.6790 2.994537 14.61123 
1 1 1  -18    4   10 o  513.803   12.199  915.610   43.382   0.0000   0.0000  915.610   43.382  ?   ?   513.803   12.199 0.000000 12.19935 
1 1 1  -18    4   11 o  127.187   14.014   56.861   12.132   48.712   25.148   59.332   13.850  115.604   30.855  129.698   15.752 -14.09383 34.64322 
1 1 1  -18    4   12 o  347.463   7.8580  418.440   18.897  446.927   35.776  407.416   22.255  358.443   14.421  342.743   9.3818 15.69983 17.20416 
1 1 1  -18    4   13 o  124.233   13.122   54.334   11.112   33.109   15.539   76.549   15.897   95.005   23.708  147.224   15.851 -52.21873 28.51830 
1 1 1  -18    4   14 o  123.888   14.021   54.332   11.811   61.268   18.204   49.290   15.521  130.026   20.939  116.580   19.953 13.44622 28.92381 
1 1 1  -18    4   15 o  206.457   8.5014  148.272   12.148  159.385   16.472  135.020   17.987  213.365   11.193  195.837   13.350 17.52730 17.42171 
1 1 1  -18    4   16 o  141.924   13.984   71.636   13.557   69.038   15.236   81.512   29.709  138.673   16.179  144.967   30.573 -6.293762 34.58978 
1 1 1  -18    4   17 o   77.102   20.069   22.365   10.814   10.367   15.596   33.474   15.006   63.247   24.673   93.556   23.271 -30.30897 33.91618 
1 1 1  -18    4   18 o   44.152   20.037  -6.1192   13.284 -29.4634   28.441   0.3946   15.024   55.553   26.512   52.310   22.620 3.243057 34.85018 
1 1 1  -18    4   19 o   80.065   21.069   24.994   11.833   24.144   15.409   26.215   18.475   78.432   25.102   81.559   27.556 -3.126160 37.27540 
1 1 1  -18    4   20 o   59.556   21.105   12.799   10.892   25.531   15.814   1.3116   15.022   78.807   25.452   51.632   22.473 27.17505 33.95326 
1 1 1  -18    6    1 o  339.007   5.2472  397.865   12.312  375.305   17.229  421.404   17.599  329.186   7.5621  348.829   7.2896 -19.64212 10.50352 
1 1 1  -18    6    2 o  548.606   7.6131  1042.33   28.907  1000.98   40.153  1086.83   41.649  537.401   10.795  559.977   10.746 -22.57635 15.23237 
1 1 1  -18    6    3 o  269.097   8.5141  250.816   15.857  211.219   21.985  293.756   22.894  246.462   12.933  291.121   11.362 -44.65825 17.21555 
1 1 1  -18    6    4 o  476.042   6.3499  784.574   20.921  840.976   37.555  759.195   25.192  492.633   11.015  468.227   7.7739 24.40616 13.48168 
1 1 1  -18    6    5 o  628.977   5.8588  1369.52   25.505  1342.44   35.736  1397.63   36.412  622.620   8.2930  635.292   8.2812 -12.67181 11.71972 
1 1 1  -18    6    6 o  1639.27   11.351  9310.22  128.783  9196.40  179.718  9430.36  184.634  1628.28   15.947  1648.81   16.179 -20.52563 22.71760 
1 1 1  -18    6    7 o  682.242   6.1678  1611.29   29.124  1575.84   40.765  1648.25   41.623  674.578   8.7313  689.902   8.7170 -15.32416 12.33785 
1 1 1  -18    6    8 o  351.939   7.0244  428.842   17.110  408.976   28.898  439.567   21.232  343.520   12.154  356.268   8.6106 -12.74805 14.89535 
1 1 1  -18    6    9 o  289.088   7.4656  289.405   14.937  296.268   21.581  283.094   20.696  292.391   10.664  285.824   10.462 6.567047 14.93919 
1 1 1  -18    6   10 o  111.182   24.606   44.847   18.434   74.878   23.611  -2.0332   29.500  144.491   24.485   74.038   31.857 70.45287 40.17900 
1 1 1  -18    6   11 o  311.593   14.878  337.415   32.086  337.415   32.086   0.0000   0.0000  311.593   14.878  ?   ?  0.000000 14.87843 
1 1 1  -18    6   12 o   90.068   20.739   29.502   12.661   22.473   27.755   31.349   14.227   89.780   33.410   92.756   22.412 -2.975998 40.23090 
1 1 1  -18    6   13 o  165.600   11.596   95.842   13.207  109.171   29.519   92.506   14.767  173.856   25.272  162.431   13.251 11.42505 28.53534 
1 1 1  -18    6   14 o  153.539   11.680   82.650   12.319   71.463   18.953   90.833   16.210  140.872   20.001  160.408   14.767 -19.53687 24.86161 
1 1 1  -18    6   15 o   98.715   15.842   35.151   10.457   5.0059   14.243   70.404   15.403   56.580   23.066  140.433   16.140 -83.85255 28.15264 
1 1 1  -18    6   16 o   47.536   19.528   3.0852   10.307   18.974   14.197 -14.6174   14.986   73.140   24.146   42.527   19.979 30.61332 31.33980 
1 1 1  -18    6   17 o   52.005   20.188   6.7152   10.402   14.792   14.778  -1.2157   14.644   67.509   24.503   50.774   22.141 16.73497 33.02493 
1 1 1  -18    6   18 o  196.468   9.2850  135.397   12.626  137.263   16.876  133.024   19.028  196.390   12.480  192.452   14.390 3.938324 19.04789 
1 1 1  -18    6   19 o   33.087   15.974 -15.9506   11.035 -36.0870   15.798   3.2360   15.420   34.307   17.057   54.699   23.270 -20.39157 28.85188 
1 1 1  -18    6   20 o   88.794   19.603   30.999   11.725   60.296   16.978   4.2859   16.212  124.166   20.470   55.637   23.768 68.52881 31.36791 
1 1 1  -18    8    1 f  515.260   6.1259  919.225   21.846  891.219   37.107  934.081   27.026  507.096   10.573  519.341   7.5189 -12.24484 12.97373 
1 1 1  -18    8    2 o  242.333   8.8074  203.424   14.772  205.610   21.214  201.366   20.582  243.176   12.648  240.669   12.398 2.507065 17.71127 
1 1 1  -18    8    3 o  634.456   6.6886  1393.74   29.370  1386.83   50.725  1397.22   36.023  632.545   11.587  635.165   8.1945 -2.619202 14.19145 
1 1 1  -18    8    4 o  462.128   6.3680  739.369   20.368  730.244   35.406  743.883   24.900  459.060   11.144  463.487   7.7622 -4.427094 13.58064 
1 1 1  -18    8    5 o  513.272   5.5892  911.957   19.855  911.958   28.233  911.957   27.929  513.192   7.9486  513.195   7.8632 -0.3051758E-02 11.18082 
1 1 1  -18    8    6 o  1849.08   14.631 11855.00  187.249 11643.90  318.636 11966.36  231.427  1829.06   25.170  1856.81   18.008 -27.74963 30.94895 
1 1 1  -18    8    7 o  682.432   8.8005  1612.78   41.566  1612.78   41.566   0.0000   0.0000  682.432   8.8005  ?   ?  0.000000 8.800480 
1 1 1  -18    8    8 o  533.882   6.7067  986.826   24.782  1019.51   42.487  969.972   30.509  542.418   11.317  529.237   8.3292 13.18164 14.05189 
1 1 1  -18    8    9 o  309.707   7.0394  332.141   15.089  351.217   21.521  313.696   21.162  318.384   9.7664  300.882   10.162 17.50226 14.09442 
1 1 1  -18    8   10 o  667.006   6.3204  1540.57   29.177  1635.61   60.491  1511.75   33.308  686.613   12.729  660.670   7.2844 25.94257 14.66614 
1 1 1  -18    8   11 o  400.113   8.4500  554.785   23.400  526.341   34.886  578.049   31.550  389.353   12.946  408.202   11.167 -18.84906 17.09687 
1 1 1  -18    8   12 o  428.203   6.5103  635.238   19.294  663.903   40.892  627.029   21.883  436.943   13.522  425.355   7.4334 11.58832 15.43042 
1 1 1  -18    8   13 o  162.581   11.978   92.478   13.383   95.024   29.820   91.836   14.976  161.209   27.726  161.775   13.499 -0.5664215 30.83751 
1 1 1  -18    8   14 o  157.825   10.517   87.110   11.422   82.987   15.710   91.734   16.637  153.187   15.011  161.108   15.096 -7.921249 21.28895 
1 1 1  -18    8   15 o  115.172   18.839   48.243   14.498   39.522   16.504   77.707   30.337  102.802   23.684  142.171   31.645 -39.36871 39.52600 
1 1 1  -18    8   16 o   60.400   20.509   12.362   10.234   2.4710   13.826   24.347   15.220   53.036   22.270   81.027   24.811 -27.99130 33.33956 
1 1 1  -18    8   17 o   98.215   15.883   35.225   10.428   28.931   14.742   41.528   14.752   86.906   23.807  105.037   21.026 -18.13037 31.76298 
1 1 1  -18    8   18 o  188.289   9.7296  124.870   12.636  116.648   16.601  136.195   19.484  180.564   13.379  194.600   14.572 -14.03639 19.78211 
1 1 1  -18    8   19 o  129.252   16.549   61.845   14.464   25.741   29.615   73.154   16.575   84.995   33.740  140.228   17.456 -55.23376 37.98792 
1 1 1  -18    8   20 o   81.584   20.094   26.438   11.271   12.877   16.007   39.778   15.875   63.461   24.927   98.383   23.614 -34.92153 34.33593 
1 1 1  -18   10    1 o  289.327   6.5406  289.842   13.097  297.805   22.983  286.012   15.939  293.115   11.329  287.370   8.0137 5.745087 13.87695 
1 1 1  -18   10    2 o  315.442   7.9430  344.603   17.341  346.049   25.029  343.268   24.049  315.973   11.445  314.718   11.041 1.254608 15.90233 
1 1 1  -18   10    3 o  811.599   7.5635  2280.92   42.486  2279.51   73.665  2281.62   52.007  810.820   13.127  811.593   9.2586 -0.7722778 16.06342 
1 1 1  -18   10    4 o  1031.02   8.9269  3681.60   63.700  3643.42  109.545  3701.10   78.300  1024.81   15.444  1033.53   10.946 -8.715820 18.93008 
1 1 1  -18   10    5 o  281.065   6.2770  273.479   12.211  256.784   16.798  292.185   17.781  272.300   8.9132  290.466   8.8447 -18.16589 12.55681 
1 1 1  -18   10    6 o  448.841   8.0321  697.565   24.952  697.565   24.952   0.0000   0.0000  448.841   8.0321  ?   ?  0.000000 8.032126 
1 1 1  -18   10    7 o  435.288   6.6044  655.960   19.897  646.341   33.304  661.299   24.812  431.922   11.141  437.007   8.2035 -5.085175 13.83518 
1 1 1  -18   10    8 o  809.208   6.7966  2267.17   38.065  2312.16   55.123  2226.16   52.629  816.982   9.7487  801.666   9.4853 15.31610 13.60175 
1 1 1  -18   10    9 o  127.710   12.678   57.116   11.058   53.171   22.327   58.398   12.729  120.999   27.309  128.916   14.519 -7.916946 30.92895 
1 1 1  -18   10   10 o  407.264   7.5210  574.515   21.200  654.634   36.421  533.458   26.072  434.416   12.113  392.328   9.6016 42.08752 15.45718 
1 1 1  -18   10   11 o  431.525   10.075  645.749   30.090  715.610   40.041  555.122   45.606  453.985   12.744  399.401   16.498 54.58328 20.84671 
1 1 1  -18   10   12 o  216.404   9.4802  162.468   14.199  176.000   30.685  158.781   16.017  223.395   20.060  213.576   10.872 9.819351 22.81647 
1 1 1  -18   10   13 o   98.295   19.553   35.116   12.834   14.746   29.836   39.742   14.217   84.687   33.787  104.550   20.380 -19.86269 39.45721 
1 1 1  -18   10   14 o  136.283   13.969   65.657   12.989   17.780   28.959   77.716   14.533   85.382   33.531  148.309   14.338 -62.92688 36.46768 
1 1 1  -18   10   15 o  164.103   10.517   94.364   11.882  111.463   17.618   80.097   16.092  177.480   14.468  149.933   15.742 27.54686 21.38104 
1 1 1  -18   10   16 o   91.755   16.928   30.843   10.354   24.884   14.363   37.290   14.940   81.553   23.902   99.567   22.241 -18.01371 32.64906 
1 1 1  -18   10   17 o   95.277   17.896   33.651   11.367   36.950   14.878   29.024   17.619   98.450   22.346   86.976   26.705 11.47405 34.82092 
1 1 1  -18   10   18 o   73.512   23.984   20.283   14.024  -3.3024   32.224   25.794   15.576   70.721   31.729   81.521   25.122 -10.80051 40.47029 
1 1 1  -18   10   19 o  104.416   15.842   40.441   11.089   28.935   16.023   51.017   15.362   84.727   25.352  115.464   19.945 -30.73746 32.25676 
1 1 1  -18   12    1 o  677.846   6.8439  1590.94   32.108  1556.58   54.544  1609.15   39.718  670.122   11.760  681.618   8.4193 -11.49615 14.46332 
1 1 1  -18   12    2 o  307.508   7.9818  327.474   16.988  317.659   24.417  336.683   23.650  302.739   11.653  311.701   10.963 -8.961517 15.99929 
1 1 1  -18   12    3 o  307.230   6.8384  326.807   14.541  304.341   25.174  338.056   17.813  296.317   12.275  312.438   8.2377 -16.12012 14.78288 
1 1 1  -18   12    4 o  846.511   6.7694  2480.90   39.661  2366.54   53.940  2615.49   58.516  826.594   9.4285  868.960   9.7297 -42.36676 13.54859 
1 1 1  -18   12    5 o  330.332   7.0335  377.785   16.081  398.488   29.525  369.053   19.174  339.093   12.580  326.458   8.4861 12.63470 15.17489 
1 1 1  -18   12    6 o  1011.40   7.6644  3541.78   53.651  3504.40   75.159  3580.61   76.610  1005.78   10.797  1016.65   10.888 -10.86829 15.33347 
1 1 1  -18   12    7 o  541.552   6.5993  1015.34   24.735  1026.83   41.593  1009.05   30.767  544.403   11.039  539.809   8.2352 4.593933 13.77214 
1 1 1  -18   12    8 o  533.631   6.8006  985.956   25.117  1019.51   43.286  968.924   30.839  542.369   11.531  528.928   8.4243 13.44153 14.28063 
1 1 1  -18   12    9 o  595.017   6.0053  1225.81   24.731  1243.42   49.733  1220.03   28.505  598.826   12.000  593.562   6.9387 5.264038 13.86131 
1 1 1  -18   12   10 o  297.523   7.9432  306.659   16.357  300.341   29.428  309.484   19.676  294.077   14.458  298.821   9.5137 -4.743317 17.30765 
1 1 1  -18   12   11 o   77.435   22.058   21.484   12.393   43.039   25.753   14.988   14.138  109.279   32.000   69.137   24.081 40.14189 40.04873 
1 1 1  -18   12   12 o  159.573   13.186   89.171   14.432  136.732   28.510   72.784   16.735  196.338   21.323  143.393   17.206 52.94466 27.39912 
1 1 1  -18   12   13 o  297.220   7.6006  306.479   15.635  300.049   33.079  308.329   17.742  292.292   16.418  298.010   8.6020 -5.718781 18.53510 
1 1 1  -18   12   14 o  194.033   13.810  132.434   18.424  135.171   30.366  130.839   23.178  193.278   23.162  191.876   17.651 1.402298 29.12101 
1 1 1  -18   12   15 o   84.988   18.096   26.571   10.318   19.265   14.731   33.606   14.457   74.188   24.600   94.853   22.382 -20.66533 33.25865 
1 1 1  -18   12   16 o  111.560   14.466   44.683   10.906   53.759   15.524   35.838   15.326  121.045   19.169   97.288   23.105 23.75714 30.02120 
1 1 1  -18   12   17 o  168.376   10.551   99.930   12.234  108.852   16.064   87.610   18.877  174.816   13.379  154.942   17.935 19.87422 22.37524 
1 1 1  -18   12   18 o   82.161   19.459   25.751   10.895   15.792   14.880   37.259   15.996   67.945   24.599   97.401   23.906 -29.45592 34.30144 
1 1 1  -18   12   19 o  145.123   11.716   75.465   11.667   70.666   16.703   80.037   16.305  137.290   18.013  147.221   16.274 -9.931107 24.27563 
1 1 1  -18   14    1 o  123.607   11.548   53.412   9.7651   55.236   12.127   50.049   16.470  125.397   14.224  118.245   20.888 7.151642 25.27155 
1 1 1  -18   14    2 o  216.409   6.8671  162.150   10.285  150.805   14.272  174.410   14.836  208.645   9.8832  224.388   9.5531 -15.74326 13.74552 
1 1 1  -18   14    3 o  538.413   5.5194  1003.49   20.568  951.524   28.170  1062.81   30.100  524.209   7.7643  554.013   7.8500 -29.80444 11.04117 
1 1 1  -18   14    4 o  541.305   5.6173  1014.29   21.045  976.231   29.153  1055.70   30.411  530.975   7.9329  552.162   7.9576 -21.18738 11.23626 
1 1 1  -18   14    5 o  351.198   6.7969  427.004   16.521  412.246   19.940  459.317   29.506  345.039   8.3499  364.094   11.709 -19.05554 14.38128 
1 1 1  -18   14    6 f  175.326   9.1512  106.746   11.066  101.181   15.674  112.277   15.625  170.326   13.405  179.548   12.655 -9.221695 18.43441 
1 1 1  -18   14    7 o  599.100   5.8503  1242.50   24.258  1246.34   47.718  1241.16   28.170  599.730   11.496  598.741   6.7978 0.9891968 13.35540 
1 1 1  -18   14    8 o  383.855   7.0305  510.200   18.678  500.488   30.626  515.951   23.569  379.987   11.645  385.947   8.8233 -5.959839 14.61030 
1 1 1  -18   14    9 o  584.075   7.0662  1181.41   28.565  1250.24   49.997  1148.06   34.804  600.432   12.031  575.659   8.7355 24.77271 14.86798 
1 1 1  -18   14   10 o  295.504   7.9362  302.526   16.231  307.561   29.788  300.400   19.358  297.563   14.464  294.392   9.5005 3.171753 17.30505 
1 1 1  -18   14   11 o  176.992   10.708  109.087   13.056   84.537   26.845  116.693   14.942  153.025   26.295  182.956   11.864 -29.93060 28.84736 
1 1 1  -18   14   12 o  246.165   9.3051  210.288   15.853  220.537   30.359  206.445   18.589  250.590   17.617  243.768   11.018 6.821503 20.77842 
1 1 1  -18   14   13 o  106.477   17.624   40.812   12.534   18.010   26.465   47.406   14.231   83.798   32.292  114.733   18.554 -30.93523 37.24311 
1 1 1  -18   14   14 o  140.144   13.672   69.403   13.092  125.317   29.898   56.138   14.562  185.626   23.821  125.071   17.285 60.55501 29.43145 
1 1 1  -18   14   15 o   43.372   19.543  -5.6463   12.373 -15.9512   30.495  -3.6155   13.538   65.503   29.969   47.293   20.931 18.20995 36.55490 
1 1 1  -18   14   16 o   42.582   19.014  -3.9695   11.426 -20.2732   16.537   10.922   15.804   42.381   20.223   64.370   24.913 -21.98962 32.08776 
1 1 1  -18   14   17 o  127.154   16.991   59.054   14.579   73.561   36.611   56.320   15.894  130.811   38.111  123.231   19.266 7.580177 42.70392 
1 1 1  -18   14   18 o   65.736   21.231   15.993   11.003   23.160   14.689   6.8281   16.610   77.528   24.477   59.948   24.728 17.57920 34.79323 
1 1 1  -18   14   19 o   83.990   18.886   27.222   10.712   19.483   15.046   35.176   15.254   71.639   24.848   93.530   23.573 -21.89143 34.25107 
1 1 1  -18   16    1 o  353.046   6.2405  431.504   15.248  428.871   18.983  436.293   25.601  351.927   7.7935  354.871   10.424 -2.943909 13.01492 
1 1 1  -18   16    2 o  257.159   6.2419  228.940   11.110  222.846   15.528  235.330   15.901  253.664   8.8448  260.673   8.8136 -7.009079 12.48637 
1 1 1  -18   16    3 o  655.481   5.8952  1487.34   26.744  1449.14   36.976  1529.25   38.730  646.906   8.2585  664.537   8.4207 -17.63159 11.79452 
1 1 1  -18   16    4 o  732.688   6.2388  1858.40   31.637  1792.60   43.723  1930.72   45.835  719.474   8.7804  746.674   8.8694 -27.19983 12.48044 
1 1 1  -18   16    5 o  901.798   7.0761  2815.54   44.165  2769.17   61.620  2864.52   63.334  894.143   9.9573  909.399   10.062 -15.25623 14.15625 
1 1 1  -18   16    6 o  317.149   6.9658  348.235   15.290  339.707   24.792  353.470   19.424  313.120   11.440  319.481   8.7847 -6.361023 14.42356 
1 1 1  -18   16    7 o  776.469   6.5344  2087.34   35.116  2011.22   67.274  2115.85   41.170  761.687   12.761  781.690   7.6097 -20.00275 14.85794 
1 1 1  -18   16    8 o  970.572   8.7070  3263.07   58.489  3408.29  104.234  3196.32   70.662  990.948   15.198  960.365   10.631 30.58252 18.54700 
1 1 1  -18   16    9 o  106.134   17.752   40.220   12.579   48.732   22.788   36.489   15.086  115.674   28.620  100.354   22.300 15.32047 36.28178 
1 1 1  -18   16   10 o  100.847   17.943   36.456   12.064   34.590   24.376   37.062   13.884   99.692   31.537  101.290   20.508 -1.598709 37.61924 
1 1 1  -18   16   11 o  157.081   12.103   86.201   13.057   50.390   26.558   97.616   14.994  117.267   31.883  167.095   13.069 -49.82789 34.45745 
1 1 1  -18   16   12 o  156.350   13.414   85.746   14.375   70.146   27.107   91.849   16.955  137.844   29.315  161.535   15.350 -23.69147 33.09016 
1 1 1  -18   16   13 o   70.985   26.216   14.562   17.026   43.946   25.840  -7.9827   22.634  108.779   32.111   59.949   26.766 48.82951 41.80346 
1 1 1  -18   16   14 o   73.464   22.361   19.463   12.387   68.634   27.089   6.4626   13.929  134.485   29.880   57.731   23.068 76.75461 37.74804 
1 1 1  -18   16   15 o  100.324   19.267   37.063   12.892   42.824   29.985   35.756   14.279  106.303   35.090   97.882   21.651 8.421516 41.23211 
1 1 1  -18   16   16 o  152.485   11.083   81.983   11.617   87.575   16.046   75.822   16.841  156.457   15.002  144.750   17.143 11.70715 22.78058 
1 1 1  -18   16   17 o   49.087   19.987   4.2047   10.678   15.867   14.869  -8.2150   15.344   68.548   24.620   46.603   21.298 21.94433 32.55379 
1 1 1  -18   16   18 o   36.801   17.166  -8.9059   10.737  -4.8370   14.510 -13.8304   15.963   47.064   21.189   43.939   20.635 3.125584 29.57656 
1 1 1  -18   16   19 o  151.971   13.131   83.627   13.675   98.606   15.894   40.922   26.836  164.567   14.090   96.315   33.198 68.25184 36.06464 
1 1 1  -18   18    1 o   55.001   18.841   9.5814   8.6385  -1.5957   12.146   21.021   12.288   47.073   20.347   76.867   21.988 -29.79425 29.95809 
1 1 1  -18   18    2 o  292.863   5.9146  296.907   11.989  284.257   16.841  309.903   17.070  286.507   8.4930  299.158   8.2443 -12.65131 11.83637 
1 1 1  -18   18    3 o  1053.25   11.080  3843.23   80.769   0.0000   0.0000  3843.23   80.769  ?   ?   1053.25   11.080 0.000000 11.07997 
1 1 1  -18   18    4 o  672.737   12.305  1568.29   57.295   0.0000   0.0000  1568.29   57.295  ?   ?   672.737   12.305 0.000000 12.30528 
1 1 1  -18   18    5 o  612.857   5.8986  1300.18   25.020  1274.99   35.108  1326.18   35.666  606.794   8.3597  618.855   8.3269 -12.06104 11.79927 
1 1 1  -18   18    6 f  146.207   10.148   74.406   10.205   67.561   19.096   77.143   12.074  137.931   20.638  148.733   11.827 -10.80164 23.78622 
1 1 1  -18   18    7 o  357.757   6.1111  443.110   15.131  432.390   29.556  446.918   17.615  353.180   12.091  359.264   7.0843 -6.084106 14.01371 
1 1 1  -18   18    8 o  544.520   5.8936  1026.56   22.211  1052.68   44.014  1017.63   25.727  551.029   11.541  542.101   6.8570 8.928162 13.42417 
1 1 1  -18   18    9 o  279.087   8.0784  269.835   15.604  277.902   27.502  266.005   18.950  282.918   14.045  277.025   9.8834 5.893127 17.17400 
1 1 1  -18   18   10 o  600.294   6.2382  1248.02   25.918  1228.78   50.654  1254.84   30.165  594.964   12.301  601.849   7.2418 -6.885254 14.27453 
1 1 1  -18   18   11 o   39.186   18.289 -11.6493   12.217   46.366   25.213 -29.4495   13.966  112.563   31.253   34.115   16.791 78.44857 35.47795 
1 1 1  -18   18   12 o  136.369   14.890   65.660   13.825   8.8049   25.512   89.296   16.449   75.670   30.862  159.234   15.107 -83.56360 34.36120 
1 1 1  -18   18   13 o  270.492   8.8715  254.276   16.608  273.073   30.800  246.570   19.722  278.528   16.045  266.103   10.708 12.42496 19.29010 
1 1 1  -18   18   14 o  233.852   8.8298  190.300   14.291  254.781   31.043  172.959   16.099  268.149   16.812  222.696   10.445 45.45274 19.79208 
1 1 1  -18   18   15 f   53.820   22.203   3.8966   13.393  -7.6829   27.724   7.4217   15.297   65.946   29.520   60.296   24.145 5.649883 38.13670 
1 1 1  -18   18   16 o  131.337   16.706   62.526   14.842   0.0000   0.0000   62.526   14.842  ?   ?   131.337   16.706 0.000000 16.70636 
1 1 1  -18   18   17 o   47.391   20.281   0.7939   11.841  -1.6585   16.891   3.1637   16.604   53.687   23.585   57.127   24.218 -3.440125 33.80529 
1 1 1  -18   18   18 o   76.502   20.617   22.614   11.163   34.063   15.144   8.9905   16.519   92.817   23.540   61.652   24.949 31.16438 34.30086 
1 1 1  -18   18   19 o   91.978   17.166   32.154   10.526   15.910   14.106   52.565   15.811   66.201   23.953  116.344   20.378 -50.14307 31.44822 
1 1 1  -18   20    1 o  663.664   6.8014  1524.85   31.241  1346.83   49.417  1643.38   40.321  623.478   11.452  688.894   8.4567 -65.41602 14.23586 
1 1 1  -18   20    2 o  536.087   5.5511  994.806   20.596  986.244   29.078  1003.43   29.178  533.699   7.8721  538.330   7.8311 -4.630737 11.10389 
1 1 1  -18   20    3 o  920.860   7.1398  2935.85   45.505  2865.42   63.177  3011.77   65.598  909.546   10.036  932.472   10.164 -22.92609 14.28404 
1 1 1  -18   20    4 o  300.085   6.0415  311.731   12.548  290.427   17.440  334.597   18.067  289.598   8.7009  310.848   8.3979 -21.25006 12.09256 
1 1 1  -18   20    5 o   70.976   20.926   17.767   10.980   25.020   17.593   13.139   14.053   85.243   26.770   66.843   23.942 18.39999 35.91439 
1 1 1  -18   20    6 o  160.675   9.5006   89.739   10.518   63.756   19.771   99.996   12.422  133.631   22.153  169.551   10.639 -35.91954 24.57564 
1 1 1  -18   20    7 o  761.237   6.4931  2006.41   34.210  1991.22   66.724  2011.82   39.846  757.778   12.722  762.193   7.5533 -4.414368 14.79550 
1 1 1  -18   20    8 o  330.387   7.2750  378.040   16.635  370.537   29.065  381.695   20.287  326.817   12.850  331.918   8.8308 -5.100830 15.59160 
1 1 1  -18   20    9 o  383.626   6.3462  509.656   16.850  478.829   31.781  521.709   19.873  371.470   12.362  388.086   7.3987 -16.61627 14.40656 
1 1 1  -18   20   10 o  567.199   6.2063  1114.28   24.364  1184.39   49.579  1091.95   27.975  584.041   12.265  561.405   7.1996 22.63647 14.22214 
1 1 1  -18   20   11 o  130.729   14.347   60.212   12.768   67.415   26.423   58.018   14.583  135.388   29.067  127.848   16.895 7.539719 33.62061 
1 1 1  -18   20   12 o  138.660   17.794   68.498   16.682  105.610   26.939   45.415   21.246  171.233   23.339  110.621   27.787 60.61152 36.28800 
1 1 1  -18   20   13 o   63.612   23.370   11.795   13.501   13.259   26.513   11.283   15.687   79.476   31.801   65.604   24.964 13.87172 40.42896 
1 1 1  -18   20   14 o  141.292   15.002   71.014   14.446  123.317   28.414   52.783   16.776  183.930   22.810  119.927   20.975 64.00237 30.98779 
1 1 1  -18   20   15 o   86.684   21.537   28.199   12.863   65.317   29.097   19.182   14.341  128.505   32.650   73.479   24.268 55.02536 40.68114 
1 1 1  -18   20   16 o  133.743   16.597   64.870   15.033  102.976   31.788   53.892   17.062  162.275   29.385  119.953   21.333 42.32182 36.31172 
1 1 1  -18   20   17 o   55.335   21.735   7.6451   12.169   22.659   17.256  -7.2094   17.164   78.078   26.630   50.161   22.769 27.91708 35.03691 
1 1 1  -18   20   18 o   74.779   23.290   21.686   13.347   21.294   14.872   23.307   30.258   74.536   24.718   83.935   33.836 -9.398956 41.90273 
1 1 1  -18   20   19 o   39.247   17.870  -4.8478   10.675 -19.9733   14.748   11.800   15.472   38.129   18.423   62.201   24.483 -24.07193 30.64052 
1 1 1  -18   22    1 o  637.991   11.511  1410.24   50.829   0.0000   0.0000  1410.24   50.829  ?   ?   637.991   11.511 0.000000 11.51115 
1 1 1  -18   22    2 o  528.235   6.5414  965.985   23.915  884.390   40.647  1009.19   29.577  505.223   11.624  539.870   7.9156 -34.64706 14.06344 
1 1 1  -18   22    3 o  280.857   9.2196  273.185   17.921  273.185   17.921   0.0000   0.0000  280.857   9.2196  ?   ?  0.000000 9.219569 
1 1 1  -18   22    4 o  212.754   8.0169  156.737   11.805  157.512   19.705  156.303   14.744  212.738   13.452  212.423   10.028 0.3157043 16.77858 
1 1 1  -18   22    5 o  589.080   5.7585  1201.29   23.478  1178.05   44.956  1210.00   27.531  583.078   11.140  591.176   6.7285 -8.097351 13.01439 
1 1 1  -18   22    6 o  240.678   7.1830  200.580   11.965  203.463   22.785  199.483   14.060  241.823   13.670  239.990   8.4646 1.833023 16.07816 
1 1 1  -18   22    7 o  300.416   8.0506  312.595   16.739  313.561   26.036  311.915   21.855  300.689   12.511  299.993   10.526 0.6954956 16.34945 
1 1 1  -18   22    8 o  175.235   11.309  106.926   13.642   88.780   23.631  115.998   16.708  158.028   22.219  182.337   13.332 -24.30923 25.91211 
1 1 1  -18   22    9 o  270.354   7.6332  253.226   14.283  194.585   27.364  275.184   16.745  235.879   16.873  281.790   8.5858 -45.91084 18.93176 
1 1 1  -18   22   10 o   47.022   20.209  -0.8460   11.847 -25.9122   23.881   7.3369   13.645   53.171   25.054   58.934   23.054 -5.762447 34.04681 
1 1 1  -18   22   11 o  466.434   6.2133  753.884   20.058  798.537   40.870  739.716   23.021  479.117   12.325  461.926   7.2008 17.19177 14.27425 
1 1 1  -18   22   12 o  128.798   14.051   58.618   12.323   52.244   26.691   60.345   13.892  117.993   31.914  130.375   15.712 -12.38197 35.57201 
1 1 1  -18   22   13 o   58.507   22.683   8.1255   13.119   17.010   26.428   5.2205   15.112   82.229   32.107   58.283   23.760 23.94653 39.94227 
1 1 1  -18   22   14 o  176.777   11.844  109.854   14.407  143.658   29.296   99.071   16.547  198.952   21.624  167.191   14.441 31.75999 26.00287 
1 1 1  -18   22   15 o   68.365   23.590   15.938   13.552   0.0000   0.0000   15.938   13.552  ?   ?    68.365   23.590 0.000000 23.58958 
1 1 1  -18   22   16 o  154.428   13.220   84.981   13.993  128.976   29.969   72.715   15.824  185.065   23.960  141.630   16.450 43.43576 29.06296 
1 1 1  -18   22   17 o  145.302   11.770   75.170   11.735   87.072   15.052   56.722   18.740  155.523   14.138  121.229   23.180 34.29449 27.15128 
1 1 1  -18   22   18 o   40.514   18.675  -7.5547   12.146   2.2590   16.884 -18.0810   17.486   55.818   24.058   44.081   20.968 11.73675 31.91311 
1 1 1  -18   22   19 o   45.812   20.045  -0.1119   12.092   0.3052   14.724  -0.9756   21.191   50.300   22.061   57.713   25.823 -7.412998 33.96380 
1 1 1  -18   24    1 o  415.089   5.5138  596.420   15.840  567.606   21.957  627.692   22.875  404.880   7.8356  425.773   7.7624 -20.89328 11.02958 
1 1 1  -18   24    2 o  686.045   6.1069  1629.31   28.997  1588.05   40.474  1672.82   41.563  677.184   8.6356  695.023   8.6403 -17.83966 12.21590 
1 1 1  -18   24    3 o  1208.56   10.080  5059.53   84.316  5102.44  146.473  5038.27  103.113  1212.48   17.454  1205.72   12.356 6.761353 21.38545 
1 1 1  -18   24    4 o  571.899   6.6240  1132.36   26.219  1058.54   42.347  1178.25   33.388  552.716   11.070  583.298   8.2703 -30.58173 13.81821 
1 1 1  -18   24    5 o  1012.17   7.6829  3547.75   53.821  3491.22  104.920  3567.94   62.699  1003.09   15.113  1014.93   8.9259 -11.83545 17.55170 
1 1 1  -18   24    6 o  189.555   8.7529  124.467   11.483  102.585   21.188  133.568   13.664  170.847   18.198  196.070   10.103 -25.22287 20.81496 
1 1 1  -18   24    7 o  755.110   7.4395  1974.85   38.881  1810.24   62.314  2079.78   49.753  722.407   12.463  774.730   9.2788 -52.32355 15.53787 
1 1 1  -18   24    8 o  207.049   8.9753  148.564   12.862  132.293   23.969  155.144   15.242  194.137   18.045  211.532   10.411 -17.39453 20.83294 
1 1 1  -18   24    9 o  503.744   6.2131  878.879   21.662  841.463   41.497  892.893   25.396  492.320   12.179  507.669   7.2279 -15.34900 14.16189 
1 1 1  -18   24   10 f  171.082   10.934  102.040   12.879  120.781   26.094   96.004   14.808  184.574   20.789  165.660   13.021 18.91402 24.52967 
1 1 1  -18   24   11 o  154.854   15.546   84.585   16.437  111.805   25.407   64.995   21.554  177.006   21.159  133.588   24.204 43.41789 32.14845 
1 1 1  -18   24   12 o  336.130   6.7912  391.947   15.799  400.195   32.785  389.452   18.031  338.305   14.002  334.931   7.7783 3.374176 16.01732 
1 1 1  -18   24   13 o  146.549   13.653   75.900   13.688   92.780   27.352   70.259   15.811  158.371   25.846  140.239   16.612 18.13196 30.72415 
1 1 1  -18   24   14 o   87.304   22.466   28.558   13.654   37.639   29.137   26.003   15.456  101.126   34.603   83.645   24.870 17.48051 42.61363 
1 1 1  -18   24   15 o   71.781   30.350   6.1854   25.966   6.1854   25.966   0.0000   0.0000   71.781   30.350  ?   ?  0.000000 30.34982 
1 1 1  -18   24   16 o  121.293   12.709   52.575   10.510   49.139   13.268   58.363   17.221  115.765   17.072  124.872   20.647 -9.106651 26.79111 
1 1 1  -18   24   17 o   44.080   19.446  -2.0088   11.593  -7.6420   12.392   37.488   32.813   41.191   18.941   96.961   36.279 -55.76979 40.92551 
1 1 1  -18   24   18 o   44.266   21.404 -26.5610   19.997   0.0000   0.0000 -26.5610   19.997  ?   ?    44.266   21.404 0.000000 21.40430 
1 1 1  -18   26    1 o  208.962   11.677  151.781   16.820  151.781   16.820   0.0000   0.0000  208.962   11.677  ?   ?  0.000000 11.67672 
1 1 1  -18   26    2 f  390.216   5.6553  527.105   15.274  543.903   30.293  521.379   17.686  396.203   11.047  388.068   6.5849 8.135193 12.86075 
1 1 1  -18   26    3 o  714.400   7.1689  1767.13   35.446  1769.76   60.481  1765.76   43.747  714.553   12.229  714.019   8.8524 0.5337524 15.09722 
1 1 1  -18   26    4 o  1470.06   10.314  7487.88  104.937  7195.12  200.521  7598.29  123.146  1438.53   20.140  1480.53   12.018 -42.00305 23.45325 
1 1 1  -18   26    5 o  411.562   6.7367  586.506   19.189  565.366   31.413  599.091   24.237  403.865   11.238  415.885   8.4204 -12.02011 14.04269 
1 1 1  -18   26    6 o  193.893   9.6326  130.275   12.927   78.000   21.791  158.659   16.057  148.043   21.931  213.658   10.895 -65.61459 24.48778 
1 1 1  -18   26    7 o  674.454   7.3701  1575.61   34.403  1462.44   53.896  1653.43   44.693  649.294   11.993  690.718   9.3490 -41.42358 15.20666 
1 1 1  -18   26    8 o  155.488   11.670   84.358   12.467   71.561   22.674   89.903   14.925  141.088   24.085  160.321   13.578 -19.23296 27.64840 
1 1 1  -18   26    9 o  568.182   6.2044  1118.23   24.399  1087.81   46.734  1129.63   28.607  559.664   12.065  570.973   7.2389 -11.30890 14.07013 
1 1 1  -18   26   10 o  164.270   11.411   94.228   12.893   73.366   25.758  101.203   14.894  141.643   27.264  170.087   12.744 -28.44466 30.09579 
1 1 1  -18   26   11 o  111.418   16.097   44.321   12.053   64.488   27.292   39.435   13.434  131.307   30.598  104.293   19.323 27.01398 36.18874 
1 1 1  -18   26   12 o  194.286   9.5250  131.323   12.808  141.707   27.388  128.416   14.490  199.050   20.158  191.651   10.970 7.398361 22.94954 
1 1 1  -18   26   13 o  162.316   12.430   92.751   13.858   50.780   27.324  107.285   16.079  114.865   32.764  174.404   13.424 -59.53863 35.40744 
1 1 1  -18   26   14 o  136.998   19.143   68.341   17.655   0.0000   0.0000   68.341   17.655  ?   ?   136.998   19.143 0.000000 19.14261 
1 1 1  -18   26   15 o  142.481   10.814   71.614   10.585   74.976   14.075   67.238   16.058  144.827   14.226  135.973   17.467 8.854294 22.52720 
1 1 1  -18   26   16 o  118.063   18.322   51.614   14.486  102.829   27.398   31.741   17.066  163.674   24.977   90.043   25.959 73.63155 36.02394 
1 1 1  -18   26   17 o   82.211   18.796   25.774   10.462   35.379   13.162   9.2966   17.239   95.967   20.443   62.824   25.464 33.14226 32.65496 
1 1 1  -18   26   18 o  122.133   12.426   53.948   10.357   46.673   11.661   81.122   22.538  112.220   15.422  142.986   23.598 -30.76567 28.19050 
1 1 1  -18   28    1 o  515.314   6.4415  919.371   22.974  855.122   37.995  956.398   28.844  496.759   11.051  525.526   7.9302 -28.76657 13.60204 
1 1 1  -18   28    2 o  235.587   8.0408  192.207   13.111  191.805   21.332  192.452   16.620  234.825   13.179  235.683   10.189 -0.8582916 16.65819 
1 1 1  -18   28    3 o  374.844   6.7584  486.506   17.534  425.561   28.527  523.507   22.228  350.382   11.764  388.783   8.2606 -38.40094 14.37433 
1 1 1  -18   28    4 o  668.054   7.1050  1545.46   32.851  1571.71   56.168  1531.82   40.501  673.283   12.054  664.981   8.7999 8.302002 14.92399 
1 1 1  -18   28    5 o  669.007   6.1386  1549.69   28.423  1460.00   53.411  1585.13   33.572  648.869   11.893  676.545   7.1697 -27.67554 13.88711 
1 1 1  -18   28    6 o  365.376   7.0156  462.354   17.741  422.634   29.623  484.568   22.153  349.041   12.263  373.977   8.5589 -24.93552 14.95407 
1 1 1  -18   28    7 o  430.592   6.1504  642.077   18.329  619.024   34.285  651.303   21.689  422.398   11.727  433.617   7.2271 -11.21811 13.77540 
1 1 1  -18   28    8 o  853.401   7.0580  2523.11   41.688  2471.71   80.334  2542.06   48.768  843.349   13.763  856.427   8.2275 -13.07892 16.03479 
1 1 1  -18   28    9 o  125.863   14.503   55.867   12.403   59.707   24.103   54.483   14.464  127.540   28.067  123.769   17.363 3.770195 33.00371 
1 1 1  -18   28   10 o  107.388   22.001   42.071   15.802   44.946   24.514   40.027   20.669  110.325   30.883  104.202   28.042 6.122749 41.71494 
1 1 1  -18   28   11 o   69.123   22.862   16.269   12.726   18.737   25.136   15.419   14.757   83.041   31.600   69.723   24.581 13.31824 40.03496 
1 1 1  -18   28   12 o  196.835   8.0173  134.637   10.922  136.721   14.423  131.835   16.723  197.772   10.575  193.803   12.535 3.969147 16.40005 
1 1 1  -18   28   13 o  111.280   13.225   44.050   9.9864   57.045   13.490   28.293   14.854  126.187   15.792   86.986   23.926 39.20161 28.66731 
1 1 1  -18   28   14 o   71.340   19.935   18.874   10.223   20.664   13.019   15.995   16.511   74.921   22.948   70.932   25.876 3.988838 34.58585 
1 1 1  -18   28   15 o   35.070   16.330  -8.2464   9.6486   3.5828   12.246 -27.6132   15.669   51.185   21.183   37.477   18.309 13.70791 27.99873 
1 1 1  -18   28   16 o  137.211   13.685   67.667   12.823   85.073   14.139 -12.9854   30.435  154.104   13.389   64.541   29.680 89.56362 32.56021 
1 1 1  -18   28   17 o   44.539   18.907   1.4697   10.142  -1.9105   12.766   7.2548   16.701   46.139   20.377   60.073   24.789 -13.93358 32.08932 
1 1 1  -18   28   18 o  142.559   18.047   76.903   17.407   57.512   28.734   88.146   21.880  111.125   34.100  150.054   21.698 -38.92940 40.41771 
1 1 1  -18   30    1 o  863.778   7.9581  2584.04   47.576  2387.80   76.481  2707.90   60.764  829.735   13.318  884.041   9.9311 -54.30615 16.61301 
1 1 1  -18   30    2 o  532.620   5.6850  982.120   20.957  873.171   38.320  1028.61   25.032  501.916   11.031  545.039   6.6358 -43.12244 12.87309 
1 1 1  -18   30    3 o  390.009   11.388  527.317   30.739  527.317   30.739   0.0000   0.0000  390.009   11.388  ?   ?  0.000000 11.38792 
1 1 1  -18   30    4 o  715.291   7.1987  1771.93   35.638  1641.46   58.126  1850.51   45.112  687.958   12.208  730.830   8.9186 -42.87164 15.11849 
1 1 1  -18   30    5 o  401.480   5.9928  558.122   16.652  592.195   32.768  546.258   19.335  413.233   11.457  397.146   7.0343 16.08655 13.44415 
1 1 1  -18   30    6 o  563.350   5.9926  1098.98   23.365  1085.85   44.733  1103.90   27.400  559.478   11.552  564.542   7.0126 -5.064270 13.51418 
1 1 1  -18   30    7 o  326.575   6.7724  369.432   15.307  339.463   28.587  381.480   18.125  312.622   13.212  331.799   7.8927 -19.17725 15.38988 
1 1 1  -18   30    8 o  228.871   8.4664  181.609   13.411  180.878   25.914  181.876   15.673  227.219   16.593  228.962   9.8906 -1.743469 19.31720 
1 1 1  -18   30    9 o  104.605   21.286   39.795   14.886   33.766   22.002   44.884   20.216   97.133   29.845  110.407   26.739 -13.27406 40.07110 
1 1 1  -18   30   10 o   61.024   20.492   12.360   10.216   3.5721   13.576   23.832   15.512   54.434   22.393   81.675   25.054 -27.24104 33.60256 
1 1 1  -18   30   11 o  182.426   8.7429  115.670   11.039  112.380   14.580  120.090   16.898  179.106   11.828  184.886   13.294 -5.779816 17.79420 
1 1 1  -18   30   12 o  135.984   13.560   65.455   12.592  115.463   24.545   47.591   14.670  179.031   20.159  114.322   19.222 64.70810 27.85502 
1 1 1  -18   30   13 o   55.099   19.792   9.3769   9.6093   6.0071   13.032   13.393   14.226   55.556   22.272   65.884   24.021 -10.32783 32.75787 
1 1 1  -18   30   14 o   51.406   19.864   6.5917   10.035   6.2793   12.528   7.1512   16.765   54.817   21.886   61.642   25.066 -6.824898 33.27605 
1 1 1  -18   30   15 o   73.067   20.031   20.125   10.432   21.842   12.555   16.298   18.746   76.001   22.369   72.321   27.345 3.679924 35.32816 
1 1 1  -18   30   16 o   84.582   18.433   27.063   10.486   23.009   13.124   34.220   17.437   77.261   22.905   92.698   26.081 -15.43668 34.71108 
1 1 1  -18   30   17 o  159.644   10.601   90.626   11.647   87.380   15.055   95.465   18.381  155.125   14.179  160.737   16.769 -5.612289 21.96037 
1 1 1  -18   32    1 o  560.757   11.492  1090.24   44.601  1090.24   44.601   0.0000   0.0000  560.757   11.492  ?   ?  0.000000 11.49187 
1 1 1  -18   32    2 o  318.903   9.0122  352.362   19.891  315.366   25.694  407.707   31.426  301.540   12.311  342.795   13.246 -41.25531 18.08351 
1 1 1  -18   32    3 o  1098.44   8.1776  4179.79   62.169  4011.71  118.989  4242.90   72.913  1074.54   16.000  1106.50   9.5209 -31.95569 18.61805 
1 1 1  -18   32    4 o  338.383   8.6685  396.744   20.302  363.756   27.660  435.268   29.891  323.800   12.342  354.213   12.193 -30.41226 17.34920 
1 1 1  -18   32    5 o  364.641   6.9610  460.537   17.568  425.415   30.321  478.285   21.554  350.112   12.513  371.526   8.3823 -21.41360 15.06113 
1 1 1  -18   32    6 o  414.625   6.1185  595.384   17.558  568.293   33.255  605.855   20.675  404.644   11.874  418.195   7.1431 -13.55154 13.85711 
1 1 1  -18   32    7 o  186.997   9.9112  121.642   12.782   94.439   23.887  132.555   15.130  162.858   21.735  195.087   11.253 -32.22885 24.47533 
1 1 1  -18   32    8 o  105.819   17.251   40.094   12.199   38.546   22.700   40.722   14.466  103.015   30.008  106.053   20.449 -3.038101 36.31295 
1 1 1  -18   32    9 o  103.650   17.180   38.587   11.893   41.164   13.255   27.937   26.941  106.837   18.601   93.388   33.182 13.44862 38.04051 
1 1 1  -18   32   10 o  230.335   7.4119  184.120   11.816  196.749   16.054  169.192   17.454  237.857   9.7517  220.067   11.500 17.78970 15.07773 
1 1 1  -18   32   11 o  211.300   7.7376  155.103   11.316  153.219   15.215  157.436   16.928  209.411   10.531  212.071   11.577 -2.659592 15.65020 
1 1 1  -18   32   12 o  143.976   16.256   74.112   15.915   0.0000   0.0000   74.112   15.915  ?   ?   143.976   16.256 0.000000 16.25634 
1 1 1  -18   32   13 o   31.635   15.123 -12.3540   9.3355  -6.5819   12.313 -20.1586   14.317   42.404   19.262   38.334   18.431 4.069603 26.65954 
1 1 1  -18   32   14 o  116.406   13.355   48.479   10.565   46.790   13.144   51.561   17.756  113.090   17.347  116.766   22.789 -3.675430 28.64035 
1 1 1  -18   32   15 o   47.923   19.342   4.3795   9.9004   4.3298   11.633   4.5102   18.856   50.767   20.788   61.277   25.884 -10.51065 33.19794 
1 1 1  -18   32   16 o   43.608   18.683   0.6280   10.069   9.3374   12.462 -15.7564   17.092   57.440   22.152   44.838   21.148 12.60144 30.62645 
1 1 1  -18   32   17 o  126.248   16.371   59.260   13.968   32.878   23.854   73.027   17.231   88.633   31.252  139.174   18.335 -50.54193 36.23354 
1 1 1  -18   34    1 o  441.135   5.8377  673.803   17.823  635.122   35.087  687.256   20.692  427.911   11.847  445.476   6.7112 -17.56546 13.61606 
1 1 1  -18   34    2 o  339.475   7.0613  399.143   16.591  397.415   28.314  400.046   20.474  338.464   12.087  339.784   8.7060 -1.320526 14.89591 
1 1 1  -18   34    3 o  561.706   6.9441  1092.79   26.996  1045.37   45.139  1119.20   33.684  548.929   11.881  568.326   8.5635 -19.39679 14.64559 
1 1 1  -18   34    4 o  318.519   6.7146  351.393   14.802  290.293   27.956  375.197   17.449  289.091   13.972  329.088   7.6610 -39.99738 15.93467 
1 1 1  -18   34    5 o  457.555   6.0637  725.057   19.202  679.512   35.735  743.548   22.769  442.483   11.669  463.285   7.1010 -20.80167 13.65945 
1 1 1  -18   34    6 o   42.532   19.080  -5.3898   11.648 -13.1854   22.459  -2.5215   13.623   57.204   25.997   49.024   21.368 8.180103 33.65107 
1 1 1  -18   34    7 o  305.084   7.2041  322.598   15.212  286.878   28.110  337.389   18.089  287.063   14.148  311.915   8.3792 -24.85178 16.44353 
1 1 1  -18   34    8 o  138.061   12.833   66.933   12.122   65.369   13.672   72.683   26.214  136.103   14.750  140.570   27.929 -4.466782 31.58438 
1 1 1  -18   34    9 o   65.451   20.150   15.125   10.024   13.831   13.025   17.006   15.699   65.976   23.106   72.674   25.372 -6.698761 34.31678 
1 1 1  -18   34   10 f  113.573   13.249   45.691   10.219   34.707   13.582   60.021   15.513   97.148   20.826  129.352   17.799 -32.20380 27.39560 
1 1 1  -18   34   11 o  231.042   9.0307  185.819   14.441  226.293   27.177  169.895   17.046  253.044   15.594  220.293   11.217 32.75092 19.20921 
1 1 1  -18   34   12 o   99.245   15.192   35.527   10.103   60.152   13.288   1.7805   15.555  129.725   15.081   55.334   23.448 74.39097 27.87942 
1 1 1  -18   34   13 o  197.301   7.9918  135.637   10.913  148.575   14.750  119.990   16.222  205.759   10.391  184.168   12.806 21.59021 16.49166 
1 1 1  -18   34   14 o   37.583   17.677 -11.6251   11.791 -11.6251   11.791   0.0000   0.0000   37.583   17.677  ?   ?  0.000000 17.67726 
1 1 1  -18   34   15 o   49.067   19.492   5.3681   9.8903   18.220   11.978 -22.1610   17.531   69.837   22.109   42.751   20.513 27.08588 30.15944 
1 1 1  -18   34   16 o  145.389   11.244   75.360   11.226   86.806   14.408   57.676   17.909  155.102   13.558  122.081   22.005 33.02139 25.84696 
1 1 1  -18   34   17 o   43.432   18.873   0.0464   10.561   21.591   14.016 -28.2458   16.062   73.710   23.975   37.114   18.215 36.59579 30.10962 
1 1 1  -18   36    1 o  576.790   6.9541  1152.34   27.761  1079.02   45.074  1197.14   35.238  557.676   11.678  587.748   8.6625 -30.07220 14.54005 
1 1 1  -18   36    2 o  275.752   7.0930  263.397   13.537  274.537   27.191  259.726   15.609  281.126   13.975  273.777   8.2376 7.348663 16.22221 
1 1 1  -18   36    3 o  533.511   7.0312  986.000   25.963  957.561   42.445  1003.00   32.818  525.290   11.675  537.934   8.8147 -12.64447 14.62874 
1 1 1  -18   36    4 o  180.089   13.054  113.248   16.160  103.902   24.147  120.829   21.749  171.224   20.803  185.472   17.137 -14.24841 26.95267 
1 1 1  -18   36    5 o  540.175   7.2441  1011.10   27.083  940.976   42.126  1060.51   35.358  520.550   11.693  552.984   9.2385 -32.43475 14.90194 
1 1 1  -18   36    6 o  230.420   8.4903  184.131   13.540  154.537   25.691  195.514   15.933  209.574   17.883  237.357   9.6985 -27.78239 20.34361 
1 1 1  -18   36    7 o  262.539   6.8552  238.937   12.456  239.454   16.772  238.301   18.602  262.639   9.2267  261.909   10.262 0.7302246 13.80004 
1 1 1  -18   36    8 o  106.556   14.399   40.360   10.347   43.001   13.421   36.491   16.246  109.205   18.412   99.473   23.896 9.732346 30.16646 
1 1 1  -18   36    9 f  159.224   9.8963   88.545   10.852   92.479   14.283   83.173   16.690  162.242   12.825  153.152   15.981 9.089233 20.49036 
1 1 1  -18   36   10 o  168.210   11.616   99.259   13.441  117.415   23.953   90.916   16.238  180.960   19.429  160.258   14.807 20.70193 24.42820 
1 1 1  -18   36   11 o  111.459   14.477   44.413   10.904   47.210   15.350   41.565   15.493  113.359   20.311  105.770   21.885 7.589485 29.85803 
1 1 1  -18   36   12 o   53.180   19.588   8.2840   9.4943  -4.5397   12.289   27.271   14.953   43.959   19.668   85.139   24.222 -41.17941 31.20111 
1 1 1  -18   36   13 o  205.476   7.7193  147.137   10.978  157.743   14.698  133.754   16.509  212.249   10.005  194.488   12.328 17.76093 15.87766 
1 1 1  -18   36   14 o  125.557   12.106   56.178   10.389   52.213   12.911   63.463   17.500  119.728   15.979  130.489   20.016 -10.76146 25.61203 
1 1 1  -18   36   15 o   46.754   19.427   2.9272   10.360   15.564   12.402 -26.2488   18.844   65.844   22.575   43.068   20.813 22.77619 30.70569 
1 1 1  -18   36   16 o  148.766   14.376   80.577   14.618   87.610   25.824   77.261   17.732  147.329   26.289  143.528   18.264 3.801529 32.01118 
1 1 1  -18   38    1 o  413.058   6.0667  590.918   17.344  549.756   33.806  605.622   20.206  397.906   12.276  418.110   6.9824 -20.20416 14.12239 
1 1 1  -18   38    2 o  103.587   16.443   38.270   11.395   59.220   23.023   31.475   13.113  127.424   26.948   93.093   20.868 34.33049 34.08321 
1 1 1  -18   38    3 o  352.108   7.2001  429.593   17.546  400.244   30.893  443.569   21.319  339.358   13.153  357.691   8.6115 -18.33255 15.72135 
1 1 1  -18   38    4 o   40.711   18.495  -6.8234   11.357 -15.5122   22.839  -3.9691   13.090   56.480   25.876   46.717   20.633 9.763229 33.09507 
1 1 1  -18   38    5 o  362.636   7.5637  455.904   18.984  435.463   30.876  468.328   24.071  353.846   12.608  367.356   9.4674 -13.50980 15.76647 
1 1 1  -18   38    6 o  179.858   13.456  113.320   16.628   88.195   23.994  136.537   23.065  156.588   22.810  196.842   17.100 -40.25381 28.50797 
1 1 1  -18   38    7 o  195.989   9.5790  133.473   12.994  138.831   15.107  118.244   25.470  199.457   10.986  182.037   20.577 17.42033 23.32618 
1 1 1  -18   38    8 o  152.931   10.265   81.753   10.802   62.458   14.097  109.200   16.813  132.589   15.665  176.196   13.900 -43.60646 20.94254 
1 1 1  -18   38    9 o  171.131   9.1226  102.169   10.766  113.126   14.034   86.496   16.784  179.719   11.340  156.112   15.749 23.60689 19.40725 
1 1 1  -18   38   10 o   92.744   16.010   31.160   9.9050   27.141   12.794   37.173   15.650   85.433   21.619   99.752   23.119 -14.31963 31.65218 
1 1 1  -18   38   11 o  149.086   10.834   78.133   11.103   85.651   13.616   63.220   19.178  155.680   12.749  130.775   21.968 24.90567 25.39915 
1 1 1  -18   38   12 o  129.594   11.085   59.306   9.8471   51.148   12.883   70.769   15.272  118.938   16.061  140.229   16.023 -21.29110 22.68637 
1 1 1  -18   38   13 o  129.844   13.275   60.256   11.762   55.076   12.857   86.829   29.124  123.405   15.388  148.343   29.406 -24.93745 33.18842 
1 1 1  -18   38   14 o  150.715   11.172   80.553   11.570   88.370   14.496   66.829   19.207  157.061   13.465  132.848   21.634 24.21291 25.48181 
1 1 1  -18   38   15 o  109.618   15.567   44.208   11.478   40.738   13.826   51.902   20.589  103.212   20.078  113.197   26.710 -9.984993 33.41531 
1 1 1  -18   38   16 o  110.846   15.984   45.794   11.908   44.673   14.368   48.254   21.284  107.358   20.074  106.481   28.369 0.8770828 34.75339 
1 1 1  -18   40    1 o  253.152   7.5678  222.123   13.259  188.732   25.663  234.283   15.487  232.165   16.070  259.928   8.6085 -27.76297 18.23028 
1 1 1  -18   40    2 o  269.482   7.3456  251.698   13.700  246.000   27.663  253.549   15.770  265.325   15.127  270.405   8.4265 -5.080017 17.31572 
1 1 1  -18   40    3 o  273.643   8.0780  259.655   15.299  233.561   27.108  271.852   18.533  258.422   15.223  279.882   9.5673 -21.45981 17.98004 
1 1 1  -18   40    4 o  310.415   6.9107  334.001   14.847  323.268   29.078  337.786   17.268  304.639   13.791  312.082   7.9945 -7.442932 15.94071 
1 1 1  -18   40    5 o  339.208   6.5376  398.852   15.348  388.976   29.307  402.584   18.017  334.206   12.670  340.686   7.6409 -6.480072 14.79581 
1 1 1  -18   40    6 f  121.512   13.994   52.217   11.554   46.443   13.742   66.146   21.344  113.660   18.074  134.675   23.768 -21.01452 29.85922 
1 1 1  -18   40    7 o   98.171   22.092   35.513   14.648   37.459   21.764   33.902   19.805  100.615   29.404   95.937   28.054 4.677925 40.63997 
1 1 1  -18   40    8 o  261.548   7.5454  237.567   13.659  240.489   16.505  231.219   24.330  262.944   9.0693  256.626   13.748 6.318756 16.47009 
1 1 1  -18   40    9 o  116.026   16.815   48.468   13.110   56.049   22.242   44.432   16.229  121.871   27.073  109.550   22.165 12.32130 34.98866 
1 1 1  -18   40   10 o  248.977   7.1960  215.475   12.400  198.620   15.956  241.180   19.705  238.617   9.6614  262.671   10.839 -24.05440 14.51967 
1 1 1  -18   40   11 o   76.236   18.716   21.623   9.8025   30.554   12.824   9.0676   15.204   90.284   20.930   61.743   24.281 28.54094 32.05643 
1 1 1  -18   40   12 o   33.891   15.865  -8.7604   9.3053 -11.4338   12.085  -4.8680   14.583   38.402   18.009   47.837   21.412 -9.434761 27.97876 
1 1 1  -18   40   13 o   46.936   18.839   4.3543   9.3357   5.8805   12.344   2.3145   14.270   53.673   21.620   52.986   22.456 0.6872330 31.17249 
1 1 1  -18   40   14 o   32.866   15.786 -14.1874   10.443 -20.6409   12.711  -0.7868   18.316   34.460   16.758   56.042   24.592 -21.58138 29.75875 
1 1 1  -18   40   15 o   96.047   23.333   36.732   15.357   28.361   23.316   43.146   20.409   84.774   30.777  101.768   28.067 -16.99371 41.65270 
1 1 1  -18   40   16 o  105.704   16.893   42.320   11.942   42.104   14.583   42.761   20.811  103.043   21.156   99.046   28.698 3.997360 35.65319 
1 1 1  -18   42    1 f  187.308   12.659  122.644   16.315   0.0000   0.0000  122.644   16.315  ?   ?   187.308   12.659 0.000000 12.65913 
1 1 1  -18   42    2 o  324.976   6.6896  366.069   15.046  324.000   29.154  381.343   17.567  304.919   13.815  331.603   7.6541 -26.68359 15.79324 
1 1 1  -18   42    3 o  158.747   11.110   88.055   12.130  115.805   24.378   78.924   13.984  180.503   19.841  149.867   13.630 30.63571 24.07182 
1 1 1  -18   42    4 f   71.276   21.431   18.115   11.430   16.083   22.656   18.809   13.237   78.549   29.974   73.350   23.244 5.198586 37.93056 
1 1 1  -18   42    5 o  151.599   10.087   80.273   10.523   78.005   14.382   82.884   15.437  148.766   14.138  153.273   14.733 -4.506302 20.41946 
1 1 1  -18   42    6 o   80.978   20.337   24.097   11.382   18.672   13.288   39.044   22.058   72.964   23.307  102.480   29.503 -29.51650 37.59804 
1 1 1  -18   42    7 o  143.868   12.319   72.820   12.149   80.049   13.859   48.829   25.246  150.667   13.431  113.497   31.181 37.16968 33.95015 
1 1 1  -18   42    8 o  100.006   16.747   36.203   11.182   39.969   13.384   27.502   20.345  104.564   19.202   87.742   28.901 16.82146 34.69877 
1 1 1  -18   42    9 o  258.078   7.6314  231.607   13.631  222.311   16.329  252.976   24.756  252.541   9.3425  268.395   13.327 -15.85361 16.27537 
1 1 1  -18   42   10 o   41.281   18.162  -2.2315   10.048  -3.6687   12.045   1.0580   18.223   44.193   19.642   58.653   25.132 -14.45950 31.89689 
1 1 1  -18   42   11 o  261.899   7.4758  238.873   13.551  247.703   16.567  221.024   23.554  266.322   8.9882  249.730   13.679 16.59132 16.36807 
1 1 1  -18   42   12 o  109.589   16.038   43.792   11.805   47.646   12.705   19.468   31.920  114.211   16.556   85.242   34.616 28.96973 38.37102 
1 1 1  -18   42   13 o   49.350   19.754   5.1456   10.234 -13.1791   12.545   41.610   17.696   38.045   17.997  102.787   25.094 -64.74185 30.88025 
1 1 1  -18   42   14 o   67.221   24.323   15.710   14.546   7.3610   23.336   21.015   18.601   67.493   28.667   75.907   27.500 -8.413780 39.72459 
1 1 1  -18   42   15 o   61.090   21.808   13.195   11.650   1.3737   14.210   37.434   20.347   50.919   22.009   93.915   28.674 -42.99634 36.14670 
1 1 1  -18   44    1 o  277.407   7.0786  266.899   13.591  214.293   26.945  284.848   15.740  246.981   15.847  286.501   7.9376 -39.52019 17.72358 
1 1 1  -18   44    2 o  198.224   11.511  137.258   15.724   0.0000   0.0000  137.258   15.724  ?   ?   198.224   11.511 0.000000 11.51081 
1 1 1  -18   44    3 o  157.226   11.041   86.469   11.938   76.146   23.996   89.865   13.763  144.287   24.930  160.057   12.523 -15.76985 27.89911 
1 1 1  -18   44    4 o  120.206   12.310   50.917   10.097   53.022   13.884   48.553   14.711  121.751   16.936  115.929   18.992 5.822456 25.44638 
1 1 1  -18   44    5 f   74.715   18.813   20.469   9.7224   29.417   12.636   7.4855   15.221   89.358   20.818   60.862   24.179 28.49603 31.90653 
1 1 1  -18   44    6 o  182.685   8.4243  116.021   10.652  108.963   14.009  125.693   16.399  176.323   11.543  189.212   12.595 -12.88914 17.08418 
1 1 1  -18   44    7 o  134.601   11.173   63.687   10.314   55.882   13.652   74.065   15.743  124.918   16.170  144.113   16.056 -19.19590 22.78788 
1 1 1  -18   44    8 o  257.294   8.5912  230.488   15.299  204.732   26.247  243.741   18.828  240.251   15.874  264.240   10.295 -23.98872 18.92043 
1 1 1  -18   44    9 o  105.589   15.488   40.230   10.982   42.528   13.323   35.361   19.397  107.738   18.536   96.291   27.651 11.44756 33.28854 
1 1 1  -18   44   10 o  214.345   8.4863  160.243   12.590  167.999   15.296  143.951   22.168  219.118   10.086  200.539   16.108 18.57936 19.00470 
1 1 1  -18   44   11 f  117.736   13.848   49.759   11.069   43.397   13.157   65.171   20.477  108.442   18.173  131.136   23.421 -22.69435 29.64417 
1 1 1  -18   44   12 f   42.176   18.378  -0.9952   10.072 -14.7314   12.628   23.024   16.699   37.393   17.796   78.491   26.200 -41.09729 31.67199 
1 1 1  -18   44   13 o   71.284   20.523   19.394   10.674   38.671   13.362 -14.5902   17.742  100.831   19.854   46.578   21.836 54.25347 29.51233 
1 1 1  -18   44   14 o   41.308   18.453  -2.9986   10.775   6.1642   13.249 -20.8927   18.516   54.420   22.223   44.404   21.246 10.01687 30.74527 
1 1 1  -18   46    1 o  295.758   7.4703  303.623   15.291  267.512   27.698  319.455   18.340  276.081   14.547  303.202   8.7394 -27.12109 16.97014 
1 1 1  -18   46    2 o   66.814   21.117   15.661   10.931   2.5590   21.563   20.191   12.681   65.422   27.659   74.917   22.584 -9.494843 35.70805 
1 1 1  -18   46    3 o  144.895   13.136   73.969   13.030   0.0000   0.0000   73.969   13.030  ?   ?   144.895   13.136 0.000000 13.13632 
1 1 1  -18   46    4 o  130.036   11.190   59.400   9.9730   59.750   13.427   58.969   14.894  129.605   15.262  128.275   17.211 1.329300 23.00265 
1 1 1  -18   46    5 o   65.417   19.622   15.382   9.5903   26.823   12.230  -2.8845   15.454   85.137   20.908   51.560   22.607 33.57775 30.79361 
1 1 1  -18   46    6 o  335.315   6.0155  390.150   13.961  385.346   18.736  396.147   20.933  332.871   8.1324  337.324   8.9661 -4.453522 12.10481 
1 1 1  -18   46    7 o  352.650   6.0153  431.668   14.682  420.930   20.057  444.062   21.549  347.754   8.3333  357.083   8.7195 -9.329681 12.06120 
1 1 1  -18   46    8 o  116.045   14.879   48.297   11.675   72.146   17.137   27.640   15.949  141.239   17.935   85.849   25.196 55.39014 30.92718 
1 1 1  -18   46    9 o  198.615   8.5060  137.572   11.693  120.734   15.917  157.308   17.233  184.835   12.516  211.309   11.831 -26.47479 17.22267 
1 1 1  -18   46   10 o  157.031   9.7216   86.645   10.514   81.500   13.433   94.783   16.893  151.390   12.945  162.555   15.191 -11.16556 19.95801 
1 1 1  -18   46   11 o   84.588   18.741   26.915   10.683   35.542   12.858   7.6829   19.197   97.126   19.799   64.452   26.584 32.67402 33.14682 
1 1 1  -18   46   12 o   40.492   18.197  -3.9875   10.646 -12.5276   13.447   10.351   17.424   40.179   18.892   64.398   25.776 -24.21837 31.95802 
1 1 1  -18   46   13 o  153.600   13.951   85.334   14.669   76.829   22.881   91.268   19.115  139.655   24.570  156.757   17.941 -17.10207 30.42302 
1 1 1  -18   46   14 o   26.922   13.475 -27.9966   10.593 -19.9342   13.236 -42.3610   17.667   35.463   17.212   35.358   17.653 0.1050682 24.65529 
1 1 1  -18   48    1 o  227.946   8.0370  180.561   12.680  125.756   25.016  199.507   14.709  187.377   19.579  239.498   8.8736 -52.12071 21.49619 
1 1 1  -18   48    2 o   86.214   18.816   27.301   10.912   21.941   20.952   29.296   12.782   82.100   29.253   88.987   21.079 -6.886803 36.05611 
1 1 1  -18   48    3 o  150.918   9.4440   79.611   9.8149   86.188   13.185   71.437   14.699  156.535   12.268  141.769   15.218 14.76636 19.54753 
1 1 1  -18   48    4 o   90.983   20.212   30.600   12.397   16.161   14.856   63.707   22.496   70.304   24.674  130.498   25.821 -60.19312 35.71448 
1 1 1  -18   48    5 o   64.557   19.459   15.021   9.4143   0.7857   12.381   34.531   14.495   49.087   20.866   96.210   22.217 -47.12294 30.47902 
1 1 1  -18   48    6 o   35.183   16.236  -7.0069   9.2206 -14.5387   12.053   3.6186   14.316   36.675   17.434   55.101   22.861 -18.42554 28.75050 
1 1 1  -18   48    7 o  188.616   10.253  124.712   13.335  115.366   23.256  129.290   16.276  178.569   19.114  191.512   12.345 -12.94344 22.75412 
1 1 1  -18   48    8 o  119.407   14.021   51.025   11.367   57.874   13.688   35.810   20.402  126.681   15.967   96.404   28.552 30.27745 32.71330 
1 1 1  -18   48    9 o  139.827   10.772   69.002   10.344   71.178   13.706   66.123   15.768  141.025   14.237  134.821   17.297 6.203964 22.40268 
1 1 1  -18   48   10 o   64.586   21.368   14.917   11.117   17.878   12.411   2.8976   25.003   69.830   22.547   67.624   29.212 2.206314 36.90113 
1 1 1  -18   48   11 o  123.129   12.223   54.198   10.279   60.216   13.393   45.572   16.034  128.721   15.335  109.015   22.009 19.70673 26.82456 
1 1 1  -18   48   12 o   96.933   17.203   35.136   11.119   25.941   14.068   50.439   18.149   81.309   23.605  113.237   23.907 -31.92780 33.59715 
1 1 1  -18   48   13 o  139.784   12.385   70.370   11.858   72.557   15.435   67.220   18.523  140.058   16.223  132.009   20.975 8.048828 26.51645 
1 1 1  -18   50    1 o   98.110   17.202   34.993   11.255   32.137   22.998   35.892   12.906   93.896   30.718   98.796   19.567 -4.899673 36.42094 
1 1 1  -18   50    2 o  112.710   14.656   45.407   11.162   27.122   21.382   52.257   13.087   87.590   29.645  120.678   16.068 -33.08784 33.71916 
1 1 1  -18   50    3 o   35.474   16.264  -6.1622   9.0470  -5.2142   12.034  -7.3945   13.721   43.029   19.341   44.784   20.340 -1.755455 28.06743 
1 1 1  -18   50    4 o  148.506   9.6196   77.240   9.8342   61.952   13.080   97.119   14.915  131.843   14.578  165.812   13.104 -33.96942 19.60174 
1 1 1  -18   50    5 o  103.395   15.451   38.578   10.718   33.054   15.848   43.234   14.550   93.504   24.275  108.195   20.172 -14.69090 31.56280 
1 1 1  -18   50    6 o  163.962   11.346   94.661   12.797  112.829   24.034   87.473   15.118  176.052   20.084  156.848   14.076 19.20346 24.52571 
1 1 1  -18   50    7 o  112.945   20.245   47.341   15.244   0.0000   0.0000   47.341   15.244  ?   ?   112.945   20.245 0.000000 20.24515 
1 1 1  -18   50    8 o  181.145   13.235  116.563   16.478   0.0000   0.0000  116.563   16.478  ?   ?   181.145   13.235 0.000000 13.23516 
1 1 1  -18   50    9 o   47.894   19.035   4.9053   9.4364   11.924   12.458  -4.5414   14.453   61.384   22.464   47.656   21.325 13.72844 30.97403 
1 1 1  -18   50   10 o   64.552   22.210   14.665   12.009   6.4439   18.757   20.376   15.634   62.582   26.083   74.485   25.348 -11.90345 36.37089 
1 1 1  -18   50   11 o   85.886   17.400   27.737   9.9885   37.509   13.626   16.389   14.685   98.909   20.575   68.373   24.476 30.53590 31.97550 
1 1 1  -18   50   12 o  119.639   15.257   52.623   12.346   47.439   21.681   55.110   15.018  106.300   28.768  120.864   18.546 -14.56361 34.22805 
1 1 1  -18   50   13 o   77.701   24.013   24.442   14.220   24.442   14.220   0.0000   0.0000   77.701   24.013  ?   ?  0.000000 24.01307 
1 1 1  -18   52    1 o  196.972   8.8543  135.204   12.071  172.585   23.819  122.286   14.002  220.378   15.719  186.688   10.884 33.68951 19.11948 
1 1 1  -18   52    2 o   95.061   14.441   32.543   9.2020   33.491   12.362   31.365   13.780   95.155   19.428   91.458   22.031 3.696861 29.37372 
1 1 1  -18   52    3 o  312.527   7.1111  339.619   15.382  334.178   18.119  353.659   29.103  309.709   8.4528  317.058   13.263 -7.348755 15.72723 
1 1 1  -18   52    4 o  147.544   9.8295   76.385   9.9802   78.011   13.225   74.235   15.210  148.359   13.012  143.980   15.508 4.378326 20.24340 
1 1 1  -18   52    5 o   78.219   17.669   22.689   9.3393   10.651   12.501   37.896   14.050   60.218   22.419  100.674   20.850 -40.45563 30.61647 
1 1 1  -18   52    6 o   97.736   16.134   34.856   10.533   22.332   15.329   46.057   14.497   77.889   25.049  111.536   19.489 -33.64761 31.73734 
1 1 1  -18   52    7 o   97.457   15.005   34.510   9.7963   27.948   12.803   43.775   15.215   85.777   21.584  107.870   21.135 -22.09308 30.20855 
1 1 1  -18   52    8 o  250.123   7.0553  217.997   12.214  206.203   16.412  232.639   18.285  242.495   9.7784  257.399   10.264 -14.90411 14.17630 
1 1 1  -18   52    9 o   90.043   18.959   30.592   11.441   31.339   13.185   28.317   23.021   90.341   21.414   86.642   30.685 3.699532 37.41850 
1 1 1  -18   52   10 o   78.905   21.026   24.025   11.690   25.884   13.658   18.932   22.604   81.461   23.140   76.643   29.757 4.818054 37.69535 
1 1 1  -18   52   11 o   56.897   20.464   10.868   10.277   20.125   14.894   2.4554   14.198   72.851   24.741   52.237   22.278 20.61435 33.29277 
1 1 1  -18   52   12 o   41.020   18.063  -1.2824   9.9573   5.2520   13.703  -8.5922   14.493   53.699   22.330   43.888   20.289 9.810642 30.17113 
1 1 1  -18   54    1 o   49.126   20.693   1.7804   11.997 -11.4585   20.235   8.9569   14.898   53.234   24.377   61.193   24.044 -7.958942 34.23971 
1 1 1  -18   54    2 o   80.220   17.384   23.809   9.3729   22.753   12.457   25.188   14.230   77.970   22.081   81.864   23.734 -3.894241 32.41747 
1 1 1  -18   54    3 o  238.117   6.9320  197.245   11.424  194.458   15.569  200.496   16.815  235.879   9.5367  239.356   10.150 -3.477066 13.92771 
1 1 1  -18   54    4 o   58.225   19.421   11.727   9.1760   2.5902   12.141   23.900   14.013   50.095   20.941   79.744   23.674 -29.64978 31.60651 
1 1 1  -18   54    5 f  211.115   9.1857  155.825   13.422  155.756   24.095  155.855   16.161  207.949   16.887  210.351   11.140 -2.402176 20.23080 
1 1 1  -18   54    6 o  219.176   11.393  169.509   17.223   0.0000   0.0000  169.509   17.223  ?   ?   219.176   11.393 0.000000 11.39318 
1 1 1  -18   54    7 o  193.349   9.2836  130.967   12.423  125.854   18.033  135.586   17.139  187.615   13.988  195.291   12.750 -7.676010 18.92720 
1 1 1  -18   54    8 o   85.286   17.792   27.295   10.163   23.561   13.159   32.813   15.998   78.306   22.858   91.441   24.697 -13.13441 33.65139 
1 1 1  -18   54    9 o  104.512   14.499   39.844   10.206   49.992   13.654   26.999   15.362  116.014   17.554   82.929   24.825 33.08511 30.40428 
1 1 1  -18   54   10 o   76.275   19.669   22.461   10.450   27.199   14.189   16.845   15.449   82.835   23.605   69.016   25.052 13.81897 34.42097 
1 1 1  -18   54   11 o   64.521   20.660   15.851   10.437   33.896   15.109  -0.6130   14.433   91.526   23.674   49.577   21.790 41.94953 32.17569 
1 1 1  -18   56    1 o  157.136   9.4158   86.658   10.193   94.642   13.725   76.839   15.221  163.481   12.219  146.250   15.262 17.23093 19.55062 
1 1 1  -18   56    2 o  216.867   9.7133  164.634   14.579  164.634   14.579   0.0000   0.0000  216.867   9.7133  ?   ?  0.000000 9.713305 
1 1 1  -18   56    3 o   99.398   14.116   35.689   9.4379   28.638   12.685   44.434   14.126   86.882   21.267  109.340   19.375 -22.45824 28.76951 
1 1 1  -18   56    4 o  100.448   14.306   36.513   9.6644   30.115   13.299   43.674   14.069   88.870   21.789  108.227   19.499 -19.35704 29.23998 
1 1 1  -18   56    5 o   60.615   20.900   12.608   10.636   17.141   16.639   9.4749   13.831   71.494   25.992   59.846   23.266 11.64841 34.88378 
1 1 1  -18   56    6 o   69.729   19.363   18.330   9.6774   5.1520   13.043   34.468   14.434   53.830   22.024   94.579   22.396 -40.74826 31.41077 
1 1 1  -18   56    7 o  125.603   17.687   58.302   14.950   0.0000   0.0000   58.302   14.950  ?   ?   125.603   17.687 0.000000 17.68688 
1 1 1  -18   56    8 o  146.062   12.165   76.258   12.186  107.463   19.244   55.367   15.745  171.470   16.416  121.263   19.416 50.20692 25.42539 
1 1 1  -18   56    9 o   75.686   19.562   22.110   10.322   20.126   14.190   24.340   15.042   72.627   24.148   78.625   24.763 -5.998695 34.58781 
1 1 1  -18   56   10 f  105.934   17.772   42.521   12.569   0.4146   21.546   64.241   15.474   59.804   26.440  130.795   17.536 -70.99098 31.72622 
1 1 1  -18   58    1 o   42.055   18.424  -1.5599   10.244  -1.3670   11.547  -2.2727   22.199   44.870   19.611   60.897   26.884 -16.02669 33.27705 
1 1 1  -18   58    2 o  175.165   8.5023  107.262   10.308  103.382   13.699  112.325   15.649  170.839   11.656  177.689   12.811 -6.850418 17.31963 
1 1 1  -18   58    3 o   74.568   19.440   21.031   10.136   10.605   12.229   43.902   18.113   59.283   22.154  106.003   25.080 -46.72013 33.46383 
1 1 1  -18   58    4 o  134.711   12.916   64.926   11.895   74.878   21.304   60.419   14.337  140.345   22.708  128.596   16.489 11.74873 28.06274 
1 1 1  -18   58    5 o   96.158   17.313   34.408   11.099   25.950   13.682   50.683   18.980   81.863   23.127  113.733   24.810 -31.87024 33.91749 
1 1 1  -18   58    6 o  123.143   11.854   54.194   9.9782   64.015   13.406   41.998   14.941  132.801   14.840  104.579   21.364 28.22186 26.01190 
1 1 1  -18   58    7 o   53.877   20.924   7.8289   11.178   11.133   12.992  -1.5893   21.936   60.178   22.761   59.949   26.582 0.2289085 34.99549 
1 1 1  -18   58    8 o  144.414   10.450   74.150   10.374   66.359   14.261   82.907   15.119  134.378   15.625  150.863   14.665 -16.48546 21.42909 
1 1 1  -18   58    9 o   67.458   21.672   17.520   11.477   47.205   19.597   2.0227   14.160  106.416   26.663   51.367   22.086 55.04897 34.62201 
1 1 1  -18   60    1 o  133.956   10.867   63.656   9.9880   66.968   13.164   59.163   15.333  136.286   14.163  126.452   18.030 9.833969 22.92739 
1 1 1  -18   60    2 o   84.288   16.919   26.531   9.5269   27.166   12.488   25.647   14.736   83.977   21.418   81.331   24.307 2.645454 32.39670 
1 1 1  -18   60    3 o   88.908   20.036   30.189   12.034   25.190   20.839   32.690   14.739   82.137   29.184   91.477   23.236 -9.339684 37.30404 
1 1 1  -18   60    4 o   46.043   19.378   2.0583   10.508 -11.8198   12.965   28.620   17.937   39.596   18.596   85.188   27.064 -45.59119 32.83713 
1 1 1  -18   60    5 o   95.629   14.871   33.601   9.5227   44.609   13.274   21.928   13.669  109.057   18.229   75.406   23.583 33.65168 29.80701 
1 1 1  -18   60    6 o   44.675   18.595   2.6362   9.5140   20.772   13.127 -17.4319   13.809   73.350   23.137   37.991   18.223 35.35902 29.45116 
1 1 1  -18   60    7 o  104.977   13.984   40.345   9.9075   46.700   13.664   33.300   14.387  111.004   18.432   91.424   22.811 19.57970 29.32665 
1 1 1  -18   62    1 o   39.966   18.113  -4.8758   10.808   2.9898   15.925 -11.5921   14.715   55.460   23.621   42.962   20.058 12.49787 30.98882 
1 1 1  -18   62    2 o   94.744   15.679   33.218   9.9220   30.765   13.168   36.440   15.092   88.871   21.616   96.275   22.970 -7.404617 31.54109 
1 1 1  -18   62    3 o  105.188   15.862   40.888   11.189   28.776   16.863   50.415   14.955   84.848   26.138  115.346   19.423 -30.49798 32.56473 
1 1 1  -18   62    4 o   83.350   17.227   26.278   9.6092   32.340   12.985   18.940   14.287   91.116   21.019   71.022   24.231 20.09438 32.07739 
1 1 1  -18   62    5 o   73.045   19.770   20.696   10.239   15.677   12.421   31.337   18.086   65.364   22.582   87.418   27.092 -22.05305 35.26932 
1 1 1  -18   62    6 o   72.221   21.100   20.467   11.208   22.819   13.017   13.727   22.037   75.773   22.891   69.961   28.625 5.812462 36.65241 
1 1 1  -18   64    1 o   76.746   18.775   22.723   9.8909   30.623   13.166   12.489   14.985   88.091   21.730   63.209   24.316 24.88158 32.61058 
1 1 1  -18   64    2 o   97.584   22.543   37.813   14.919   0.0000   0.0000   37.813   14.919  ?   ?    97.584   22.543 0.000000 22.54325 
1 1 1  -18   64    3 o  182.203   9.6905  117.642   12.176  114.005   14.681  125.659   21.796  178.265   11.968  183.732   17.345 -5.467102 21.07351 
1 1 1  -18   64    4 o   88.467   16.499   29.600   9.7307   32.987   13.343   25.752   14.221   91.145   21.500   79.836   23.883 11.30883 32.13467 
1 1 1  -17    1    1 o  514.865   5.1264  917.742   18.268  912.084   25.698  923.521   25.972  513.165   7.2355  516.370   7.2673 -3.205322 10.25510 
1 1 1  -17    1    2 o  1005.74   7.4708  3503.42   52.003  3469.76   72.909  3538.28   74.194  1000.47   10.529  1010.28   10.611 -9.816162 14.94847 
1 1 1  -17    1    3 o  746.693   6.1456  1930.45   31.760  1907.70   44.473  1954.13   45.371  742.089   8.6589  751.059   8.7283 -8.969910 12.29476 
1 1 1  -17    1    4 o  670.083   5.8950  1554.48   27.339  1596.80   39.255  1514.62   38.099  678.998   8.3531  661.297   8.3241 17.70099 11.79257 
1 1 1  -17    1    5 o  602.663   8.0640  1257.75   33.636  1246.83   47.443  1268.78   47.694  599.834   11.428  605.095   11.388 -5.260071 16.13359 
1 1 1  -17    1    6 o   82.353   18.551   24.478   10.320   8.0992   14.405   41.747   14.791   61.200   23.757  107.849   20.566 -46.64862 31.42251 
1 1 1  -17    1    7 o  465.078   5.6540  748.708   18.200  728.104   25.504  770.086   25.979  458.573   8.0357  471.610   7.9590 -13.03763 11.31009 
1 1 1  -17    1    8 o  1078.81   9.3362  4030.45   69.710  4045.37  121.578  4023.14   85.086  1080.02   16.265  1077.64   11.408 2.372803 19.86664 
1 1 1  -17    1    9 o  660.798   6.2871  1511.64   28.754  1518.64   40.799  1504.73   40.531  662.200   8.9018  659.162   8.8842 3.037476 12.57663 
1 1 1  -17    1   10 o  152.151   13.864   80.958   14.440   66.585   22.752   90.653   18.685  136.090   25.079  160.675   17.063 -24.58528 30.33359 
1 1 1  -17    1   11 o  386.923   6.3339  518.394   16.962  520.000   33.700  517.850   19.629  387.177   12.576  386.680   7.3346 0.4966125 14.55860 
1 1 1  -17    1   12 o  149.423   10.798   77.843   11.091   98.462   15.438   55.844   15.946  167.854   13.400  125.205   18.998 42.64926 23.24808 
1 1 1  -17    1   13 o  339.002   8.9198  398.584   20.928  398.584   20.928   0.0000   0.0000  339.002   8.9198  ?   ?  0.000000 8.919774 
1 1 1  -17    1   14 o  526.720   6.7096  961.897   24.460  885.854   38.080  1015.31   31.914  504.690   10.902  540.832   8.5260 -36.14240 13.83977 
1 1 1  -17    1   16 o  185.304   9.0125  119.580   11.559  121.633   16.191  117.446   16.506  185.906   12.659  182.542   13.153 3.363678 18.25533 
1 1 1  -17    1   17 o   55.829   20.917   8.8117   10.915   3.4986   15.162   14.527   15.726   56.080   23.419   68.497   25.213 -12.41688 34.41139 
1 1 1  -17    1   18 o  197.061   11.431  137.121   15.523  177.707   33.974  126.411   17.451  218.338   22.819  188.451   13.469 29.88669 26.49758 
1 1 1  -17    1   19 o  124.580   13.346   55.877   11.328   43.269   15.888   68.914   16.156  105.801   22.396  136.734   17.472 -30.93303 28.40451 
1 1 1  -17    1   20 o   77.031   21.557   23.351   11.946   16.049   15.692   33.415   18.423   67.818   25.144   89.879   27.250 -22.06075 37.07827 
1 1 1  -17    3    1 o  281.172   5.2538  273.707   10.224  261.383   14.387  286.281   14.532  274.704   7.5672  287.498   7.3032 -12.79477 10.51657 
1 1 1  -17    3    2 o  515.704   5.1985  920.720   18.555  914.432   26.140  927.105   26.342  513.834   7.3503  517.382   7.3563 -3.547974 10.39917 
1 1 1  -17    3    3 o  149.441   8.5099   77.610   8.7654   82.097   12.265   72.928   12.531  153.444   11.636  144.460   12.661 8.983429 17.19573 
1 1 1  -17    3    4 o  565.660   6.3396  1107.81   24.820  1101.93   30.220  1120.00   43.506  564.091   7.7404  568.485   11.057 -4.394470 13.49737 
1 1 1  -17    3    5 o  282.167   7.0955  275.669   13.857  319.707   24.984  256.103   16.653  303.728   11.885  271.930   8.8483 31.79758 14.81712 
1 1 1  -17    3    6 o  519.581   5.6208  934.495   20.213  929.375   28.447  939.716   28.725  518.082   7.9335  520.955   7.9668 -2.872986 11.24324 
1 1 1  -17    3    7 o  754.873   6.4296  1972.61   33.592  1979.12   47.719  1966.23   47.296  755.987   9.1202  753.523   9.0688 2.463806 12.86160 
1 1 1  -17    3    8 o  1243.19   9.0184  5352.02   77.597  5358.10  109.633  5345.93  109.844  1243.48   12.739  1242.06   12.778 1.417725 18.04291 
1 1 1  -17    3    9 o  111.957   16.258   44.389   12.229   31.674   17.184   57.438   17.408   93.896   25.695  126.985   20.506 -33.08889 32.87472 
1 1 1  -17    3   10 o  152.967   14.051   81.848   14.709   75.951   23.749   85.518   18.736  145.690   24.416  155.917   17.674 -10.22743 30.14186 
1 1 1  -17    3   11 o  475.984   12.351  785.854   40.690  785.854   40.690   0.0000   0.0000  475.984   12.351  ?   ?  0.000000 12.35136 
1 1 1  -17    3   12 o  321.876   7.8215  358.961   17.424  443.756   34.661  330.286   20.156  357.403   14.012  308.667   9.4350 48.73599 16.89259 
1 1 1  -17    3   13 o  407.542   6.6944  575.497   18.883  560.346   23.845  600.976   30.922  401.978   8.5707  416.050   10.738 -14.07166 13.73933 
1 1 1  -17    3   14 o  161.958   10.369   91.555   11.562   96.167   16.229   86.802   16.476  165.379   14.320  156.862   15.374 8.516800 21.01026 
1 1 1  -17    3   15 o   96.445   16.853   33.633   10.840   20.795   14.739   48.759   15.998   76.755   24.549  115.609   20.757 -38.85411 32.14813 
1 1 1  -17    3   16 o   36.624   16.982  -8.4681   10.267  -2.5570   14.329 -14.7035   14.717   49.684   21.778   42.115   19.790 7.568516 29.42617 
1 1 1  -17    3   17 o  116.978   17.627   49.829   13.828   56.403   15.777   28.034   28.727  124.145   18.963   91.475   34.000 32.66975 38.93066 
1 1 1  -17    3   18 o  192.640   9.3917  129.915   12.522  130.035   18.103  129.806   17.339  191.009   13.786  191.072   13.192 -0.6315613E-01 19.08123 
1 1 1  -17    3   19 o   95.539   17.819   34.180   11.349   20.519   15.616   49.475   16.523   74.379   25.333  113.582   21.812 -39.20284 33.42936 
1 1 1  -17    3   20 o   27.720   13.891 -30.8827   11.417 -41.1610   18.140 -24.1399   14.693   36.541   18.186   36.472   17.798 0.6953812E-01 25.44624 
1 1 1  -17    5    1 o  477.395   5.1170  789.010   16.907  729.080   23.055  858.743   24.869  458.811   7.2602  497.943   7.2160 -39.13235 10.23624 
1 1 1  -17    5    2 o  530.050   5.2477  972.653   19.251  957.584   26.936  988.388   27.524  525.822   7.4016  534.210   7.4444 -8.387939 10.49773 
1 1 1  -17    5    3 o  706.822   5.9718  1729.70   29.214  1723.41   41.227  1736.04   41.404  705.371   8.4447  707.951   8.4501 -2.580505 11.94649 
1 1 1  -17    5    4 o  716.386   7.0022  1777.00   34.718  1789.42   42.673  1752.68   59.712  718.783   8.5778  711.064   12.133 7.718567 14.85908 
1 1 1  -17    5    5 o  561.036   6.4490  1089.71   25.041  1094.63   43.807  1087.32   30.519  562.058   11.261  560.362   7.8691 1.696289 13.73824 
1 1 1  -17    5    6 o  626.333   6.8167  1358.12   29.550  1434.15   53.854  1325.37   35.346  643.339   12.095  618.675   8.2547 24.66449 14.64325 
1 1 1  -17    5    7 o  589.149   5.8598  1201.48   23.894  1176.12   33.656  1227.26   33.927  582.814   8.3436  595.353   8.2337 -12.53870 11.72218 
1 1 1  -17    5    8 f  684.501   6.2124  1621.94   29.431  1645.65   42.233  1599.56   41.037  689.371   8.8515  679.654   8.7239 9.717041 12.42804 
1 1 1  -17    5    9 o  369.444   7.0844  472.562   18.115  508.780   30.255  452.324   22.616  383.190   11.408  361.391   9.0421 21.79929 14.55690 
1 1 1  -17    5   10 o  356.482   7.7418  440.091   19.101  455.561   31.172  430.791   24.170  362.483   12.425  352.612   9.9038 9.870331 15.88942 
1 1 1  -17    5   11 o  625.284   7.0219  1354.05   30.388  1346.83   53.849  1357.42   36.810  623.102   12.487  625.951   8.4966 -2.849060 15.10322 
1 1 1  -17    5   12 o  284.689   7.7137  280.808   15.199  336.146   32.708  265.567   17.165  310.944   15.198  276.798   8.9598 34.14624 17.64251 
1 1 1  -17    5   13 o  139.481   11.642   68.056   11.136   73.304   15.948   63.061   15.557  144.092   16.277  133.332   17.264 10.76018 23.72731 
1 1 1  -17    5   14 o   78.196   19.528   22.343   10.537   33.707   15.006   11.293   14.798   95.740   22.946   64.821   24.341 30.91879 33.45188 
1 1 1  -17    5   15 o  161.928   10.844   91.777   12.083   81.659   17.992  100.089   16.308  151.280   17.507  168.496   14.114 -17.21634 22.48780 
1 1 1  -17    5   16 o   53.042   20.264   7.1812   10.363   6.7639   13.872   7.7080   15.588   57.791   23.044   61.212   24.422 -3.421432 33.57751 
1 1 1  -17    5   17 o   76.685   19.614   21.945   10.452   20.658   15.156   23.113   14.433   75.809   24.944   78.936   24.158 -3.127678 34.72469 
1 1 1  -17    5   18 o   82.558   18.775   25.591   10.486   25.209   14.820   25.975   14.839   81.357   24.389   82.453   24.332 -1.096375 34.45115 
1 1 1  -17    5   19 o   87.204   25.045   29.995   15.912 -20.3171   30.404   48.976   18.674   61.036   28.605  111.461   24.842 -50.42420 37.88627 
1 1 1  -17    5   20 o   62.815   21.511   14.465   11.259   18.502   16.396   10.863   15.489   71.046   25.806   61.803   24.442 9.242607 35.54428 
1 1 1  -17    7    1 o  449.998   5.0683  701.029   15.785  652.932   21.405  758.371   23.372  434.205   7.1227  467.948   7.2164 -33.74271 10.13949 
1 1 1  -17    7    2 o  238.140   5.9090  196.347   9.7392  190.138   13.599  202.885   13.954  234.286   8.3867  242.014   8.3308 -7.727600 11.82110 
1 1 1  -17    7    3 o  520.913   5.3479  939.363   19.281  908.839   26.690  972.679   27.884  512.289   7.5276  529.972   7.6019 -17.68335 10.69833 
1 1 1  -17    7    4 o  875.806   7.8851  2656.22   47.796  2635.72   58.126  2699.02   83.986  872.271   9.6282  882.210   13.755 -9.939453 16.78988 
1 1 1  -17    7    5 o  1204.03   10.041  5021.73   83.678  4931.71  142.671  5068.94  103.313  1192.03   17.293  1209.37   12.343 -17.34412 21.24624 
1 1 1  -17    7    6 o  348.823   6.7590  421.241   16.318  496.098   31.003  392.557   19.191  378.395   11.838  336.705   8.2353 41.68970 14.42078 
1 1 1  -17    7    7 o  933.237   8.3904  3015.64   54.194  3018.87   66.539  3009.27   93.406  933.602   10.298  931.724   14.485 1.878601 17.77210 
1 1 1  -17    7    8 o  798.886   9.3884  2210.25   51.910   0.0000   0.0000  2210.25   51.910  ?   ?   798.886   9.3884 0.000000 9.388400 
1 1 1  -17    7    9 o  259.302   8.5124  232.850   15.277  204.244   25.414  249.035   19.116  242.182   15.240  268.117   10.302 -25.93565 18.39470 
1 1 1  -17    7   10 o  359.329   7.7215  447.155   19.203  496.098   32.281  420.349   23.890  378.262   12.330  348.307   9.9102 29.95554 15.81915 
1 1 1  -17    7   11 o  596.366   7.3801  1231.82   30.461  1245.85   51.306  1224.18   37.856  599.286   12.370  594.372   9.2024 4.914001 15.41718 
1 1 1  -17    7   12 o  222.506   10.956  171.755   16.872  211.805   29.603  152.488   20.533  246.008   17.500  208.993   14.281 37.01521 22.58768 
1 1 1  -17    7   13 o   82.354   21.244   24.680   12.188   3.5517   27.727   29.741   13.570   74.857   31.490   90.279   21.934 -15.42218 38.37622 
1 1 1  -17    7   14 f  246.353   10.572  211.068   18.025  211.068   18.025   0.0000   0.0000  246.353   10.572  ?   ?  0.000000 10.57156 
1 1 1  -17    7   15 o   85.143   19.267   26.635   11.089   24.098   16.255   28.845   15.167   81.956   25.731   88.292   24.131 -6.335693 35.27550 
1 1 1  -17    7   16 o   93.048   20.231   32.070   12.657   41.068   13.807 -15.3219   31.685  105.763   19.583   67.329   30.706 38.43465 36.41902 
1 1 1  -17    7   17 o  133.694   11.993   63.268   10.980   49.071   15.682   76.920   15.378  115.075   20.438  146.533   15.393 -31.45786 25.58617 
1 1 1  -17    7   18 o   67.212   20.801   16.653   10.666   13.711   15.196   19.511   14.975   66.354   24.715   73.482   24.809 -7.128609 35.01912 
1 1 1  -17    7   19 o   49.158   20.475   3.2379   11.547  -3.8529   16.605   9.8767   16.067   51.307   22.915   62.311   24.815 -11.00407 33.77668 
1 1 1  -17    7   20 o   53.877   20.725   8.4651   10.886   23.351   15.970  -4.4531   14.877   76.817   25.621   47.447   21.399 29.36978 33.38227 
1 1 1  -17    9    1 f  834.891   6.5510  2413.61   37.854  2316.64   51.575  2526.87   55.736  817.716   9.1129  853.979   9.4299 -36.26257 13.11370 
1 1 1  -17    9    2 o  985.594   7.3858  3363.97   50.381  3277.14   69.461  3460.36   73.185  972.463   10.320  999.242   10.582 -26.77924 14.78140 
1 1 1  -17    9    3 o  338.405   6.1478  396.474   14.399  388.881   17.432  412.780   25.545  335.111   7.5160  345.136   10.694 -10.02496 13.07119 
1 1 1  -17    9    4 o  404.208   5.3374  565.574   14.932  599.858   21.418  533.156   20.828  416.220   7.4351  392.389   7.6691 23.83029 10.68153 
1 1 1  -17    9    5 o  542.479   6.5002  1018.79   24.405  972.683   41.239  1043.65   30.276  529.850   11.245  549.001   7.9681 -19.15167 13.78225 
1 1 1  -17    9    6 o  302.714   7.0777  317.245   14.829  337.024   28.067  309.586   17.465  311.851   13.004  299.011   8.4394 12.84015 15.50242 
1 1 1  -17    9    7 o  147.387   10.573   75.628   10.714   67.878   15.502   82.715   14.824  138.937   16.440  153.839   14.078 -14.90154 21.64405 
1 1 1  -17    9    8 o  966.764   8.5640  3236.42   57.302  3306.34  100.437  3202.67   69.772  976.529   14.860  961.559   10.484 14.97058 18.18647 
1 1 1  -17    9    9 o  402.438   6.9774  560.745   19.434  585.854   32.858  547.235   24.102  411.167   11.546  397.502   8.7607 13.66510 14.49367 
1 1 1  -17    9   10 o   86.648   19.672   27.150   11.528   29.863   23.243   26.264   13.276   94.208   30.884   85.284   22.256 8.924530 38.06802 
1 1 1  -17    9   11 o  128.908   14.546   58.431   12.751   94.000   25.861   47.007   14.656  162.411   23.705  114.692   19.137 47.71847 30.46586 
1 1 1  -17    9   12 o  263.349   8.8508  240.405   16.132  249.073   30.682  237.093   18.965  266.969   16.689  261.440   10.481 5.528168 19.70715 
1 1 1  -17    9   13 o  162.632   11.703   92.395   13.085   59.610   28.239  101.358   14.765  126.791   32.137  170.253   12.620 -43.46227 34.52657 
1 1 1  -17    9   14 o  115.123   13.798   46.911   10.775   31.253   14.868   64.230   15.636   92.126   23.302  134.266   17.223 -42.13987 28.97627 
1 1 1  -17    9   15 o  134.137   12.191   63.350   11.195   65.652   15.163   60.591   16.597  135.636   16.492  129.560   19.080 6.076645 25.21970 
1 1 1  -17    9   16 o  157.388   10.773   86.939   11.665  110.293   17.873   69.611   15.395  176.350   14.780  139.430   16.259 36.92052 21.97271 
1 1 1  -17    9   17 o  119.026   13.318   50.542   10.783   66.629   15.410   35.106   15.095  135.798   16.750   96.226   22.982 39.57220 28.43822 
1 1 1  -17    9   18 o   46.984   19.756   1.9590   10.905  -6.6519   14.409   13.502   16.683   46.037   20.883   67.479   25.728 -21.44209 33.13667 
1 1 1  -17    9   19 o   99.625   16.578   36.811   11.029   25.872   14.975   49.777   16.304   81.349   24.546  113.943   21.462 -32.59402 32.60569 
1 1 1  -17    9   20 o   52.334   21.839   4.5247   13.171   4.4093   27.738   4.5583   14.966   68.421   30.137   54.829   23.104 13.59167 37.97395 
1 1 1  -17   11    1 f  463.033   5.1314  742.197   16.445  716.422   22.938  769.455   23.589  454.844   7.2864  471.381   7.2303 -16.53662 10.26490 
1 1 1  -17   11    2 o  1098.57   8.0315  4179.70   61.067  4052.33   83.675  4324.86   89.324  1081.30   11.181  1117.02   11.554 -35.71094 16.07803 
1 1 1  -17   11    3 o  678.647   6.7721  1594.62   31.809  1563.12   38.407  1663.42   56.758  671.826   8.2599  692.767   11.838 -20.94067 14.43446 
1 1 1  -17   11    4 o  490.175   5.4051  831.722   18.337  781.774   24.958  890.315   27.031  475.161   7.5890  507.070   7.7023 -31.90945 10.81291 
1 1 1  -17   11    5 f  1282.49   10.588  5697.63   93.981  5556.10  159.099  5773.49  116.473  1265.21   18.169  1290.66   13.039 -25.44824 22.36329 
1 1 1  -17   11    6 o  546.207   12.000  1033.66   45.366  1033.66   45.366   0.0000   0.0000  546.207   12.000  ?   ?  0.000000 12.00036 
1 1 1  -17   11    7 o  707.321   6.1975  1731.87   30.340  1717.13   42.877  1746.66   42.937  704.192   8.7974  710.224   8.7348 -6.033020 12.39723 
1 1 1  -17   11    8 o  535.904   6.6215  994.240   24.560  1031.71   42.783  975.825   29.994  545.702   11.328  530.864   8.1634 14.83820 13.96264 
1 1 1  -17   11    9 o  512.065   5.8078  907.733   20.583  888.293   40.772  914.382   23.845  506.270   11.636  513.906   6.7040 -7.635437 13.42913 
1 1 1  -17   11   10 o  200.441   9.0526  139.189   12.558  189.219   26.000  123.964   14.343  232.857   16.234  188.790   11.025 44.06766 19.62364 
1 1 1  -17   11   11 o  228.306   9.6244  180.662   15.208  195.658   27.753  174.227   18.181  236.589   17.063  223.807   11.778 12.78143 20.73359 
1 1 1  -17   11   12 o  169.874   11.378  100.602   13.300   91.268   27.557  103.437   15.186  159.238   25.893  172.092   12.842 -12.85323 28.90316 
1 1 1  -17   11   13 o  107.081   17.746   41.131   12.691   66.146   28.463   34.923   14.179  133.518   31.339   97.847   21.522 35.67030 38.01721 
1 1 1  -17   11   14 o  371.882   7.5822  479.914   19.516  555.610   38.319  453.405   22.677  398.839   13.882  361.250   9.0698 37.58911 16.58201 
1 1 1  -17   11   15 o  227.233   9.5648  179.751   15.043  177.535   16.805  188.683   33.742  225.651   10.760  229.153   21.527 -3.502121 24.06691 
1 1 1  -17   11   16 o  114.680   14.542   47.028   11.283   44.595   16.796   49.028   15.232  109.232   22.946  115.660   19.737 -6.428062 30.26644 
1 1 1  -17   11   17 o   68.580   20.373   17.325   10.375   18.753   14.394   15.780   14.969   72.656   24.324   69.173   24.718 3.483055 34.67883 
1 1 1  -17   11   18 o   75.397   20.181   21.524   10.739  -2.3713   14.739   48.567   15.680   49.780   21.945  113.600   20.706 -63.81978 30.17157 
1 1 1  -17   11   19 o   48.369   21.413  -2.3814   14.179  -2.3814   14.179   0.0000   0.0000   48.369   21.413  ?   ?  0.000000 21.41301 
1 1 1  -17   11   20 o   44.198   19.214   0.0043   10.956   5.1668   16.079  -4.4701   14.969   56.698   23.923   47.453   21.428 9.245491 32.11602 
1 1 1  -17   13    1 o  324.403   7.5519  364.428   16.956   0.0000   0.0000  364.428   16.956  ?   ?   324.403   7.5519 0.000000 7.551868 
1 1 1  -17   13    2 o  348.239   5.3620  419.800   12.924  395.942   17.633  447.493   18.997  338.146   7.5342  359.482   7.6354 -21.33655 10.72672 
1 1 1  -17   13    3 o  165.605   8.1335   94.973   9.3224   79.784   12.824  111.992   13.576  151.216   12.362  179.446   10.984 -28.23045 16.53623 
1 1 1  -17   13    4 o  893.411   6.9627  2763.44   43.053  2629.03   58.236  2925.44   63.935  871.229   9.6579  918.996   10.052 -47.76721 13.93974 
1 1 1  -17   13    5 o  480.867   6.4814  800.488   21.571  833.658   39.702  786.595   25.694  490.527   11.694  476.637   7.7889 13.89026 14.05063 
1 1 1  -17   13    6 o   66.825   21.752   14.941   11.537 -12.9561   23.207   24.098   13.296   58.860   26.620   82.048   22.664 -23.18726 34.96125 
1 1 1  -17   13    7 o  383.122   6.5842  508.134   17.459  538.049   29.688  492.319   21.586  394.116   10.884  377.074   8.2713 17.04227 13.67010 
1 1 1  -17   13    8 o  921.903   7.1890  2942.58   45.871  2961.95   91.749  2936.13   52.965  924.263   14.343  920.816   8.3108 3.447388 16.57649 
1 1 1  -17   13    9 o  202.421   8.4769  141.912   11.876  173.902   23.766  131.265   13.710  223.332   15.471  194.375   10.227 28.95737 18.54580 
1 1 1  -17   13   10 o  199.855   8.9869  138.381   12.431  151.902   25.194  134.030   14.292  208.313   17.640  196.362   10.555 11.95102 20.55677 
1 1 1  -17   13   11 o  252.264   8.0320  220.475   14.023  241.073   28.411  213.840   16.125  262.897   15.686  248.387   9.3796 14.50949 18.27624 
1 1 1  -17   13   12 o  124.532   17.414   55.087   14.599   34.517   26.955   63.625   17.366  100.651   33.272  133.646   19.337 -32.99517 38.48340 
1 1 1  -17   13   13 o  101.053   20.413   37.112   13.786   2.3815   27.654   48.598   15.903   73.769   31.263  115.976   20.565 -42.20755 37.42010 
1 1 1  -17   13   14 o  108.369   23.630   43.322   17.224   40.434   27.300   45.232   22.200  105.372   33.380  110.021   28.813 -4.649117 44.09511 
1 1 1  -17   13   15 o  223.534   7.9077  173.649   12.234  176.580   17.385  170.775   17.219  224.940   11.167  220.909   11.300 4.030991 15.88674 
1 1 1  -17   13   16 o   89.225   17.440   29.197   10.384   17.621   14.642   40.911   14.728   71.740   24.530  105.008   20.999 -33.26749 32.29051 
1 1 1  -17   13   17 o  109.414   15.938   43.430   11.715   49.684   15.673   35.512   17.634  115.662   20.321   96.003   25.929 19.65881 32.94274 
1 1 1  -17   13   18 o   98.827   16.606   35.985   10.955   40.324   15.047   31.089   15.982  102.771   21.828   89.351   24.909 13.41961 33.11988 
1 1 1  -17   13   19 o   53.329   20.495   7.9422   10.640   2.1347   14.802   14.151   15.305   53.080   22.695   65.992   24.760 -12.91207 33.58724 
1 1 1  -17   13   20 o   46.140   20.369  -1.2596   12.741 -17.5764   14.895   43.244   24.598   39.567   18.964   98.479   31.737 -58.91201 36.97132 
1 1 1  -17   15    1 o  551.308   6.2238  1052.25   23.748  993.659   39.891  1084.41   29.556  535.516   10.763  559.611   7.6311 -24.09534 13.19352 
1 1 1  -17   15    2 o  327.724   7.6646  371.903   17.385  347.463   24.802  395.512   24.376  316.658   11.316  337.878   10.424 -21.21994 15.38571 
1 1 1  -17   15    3 o  722.024   7.1044  1804.94   35.502  1664.39   58.093  1888.73   44.852  693.018   12.112  738.496   8.7752 -45.47864 14.95649 
1 1 1  -17   15    4 o  333.221   6.6271  384.400   15.284  403.463   27.832  376.169   18.288  341.239   11.784  329.604   8.0168 11.63461 14.25268 
1 1 1  -17   15    5 o  402.021   6.4772  559.495   18.023  568.781   33.429  555.690   21.399  405.176   11.921  400.623   7.7175 4.552765 14.20087 
1 1 1  -17   15    6 o  840.972   7.7888  2448.63   45.335   0.0000   0.0000  2448.63   45.335  ?   ?   840.972   7.7888 0.000000 7.788814 
1 1 1  -17   15    7 o  1504.86   12.158  7846.70  126.626  8043.90  224.333  7754.49  153.399  1521.67   21.301  1495.53   14.820 26.13330 25.94920 
1 1 1  -17   15    8 f  521.498   5.7262  941.443   20.668  946.341   40.496  939.718   24.034  522.610   11.196  520.989   6.6653 1.621033 13.02959 
1 1 1  -17   15    9 f  636.654   6.1225  1403.31   26.978  1354.15   52.043  1421.37   31.547  624.992   12.031  640.687   7.1144 -15.69525 13.97735 
1 1 1  -17   15   10 o  142.290   13.621   70.899   13.250   81.317   23.870   66.260   15.930  150.893   23.633  137.010   17.176 13.88217 29.21520 
1 1 1  -17   15   11 o  628.477   6.2980  1367.90   27.395  1472.19   56.638  1336.05   31.299  651.263   12.565  621.038   7.2818 30.22437 14.52288 
1 1 1  -17   15   12 o  326.397   7.1614  369.169   16.178  429.707   33.489  350.740   18.477  351.507   13.765  318.066   8.3933 33.44049 16.12237 
1 1 1  -17   15   13 o  242.169   9.5670  203.665   16.035  203.317   29.260  203.815   19.170  240.307   17.717  242.074   11.442 -1.767776 21.09085 
1 1 1  -17   15   14 o   67.159   26.176   10.522   17.543   4.2702   27.343   14.895   22.870   74.011   31.210   77.315   29.956 -3.304016 43.26034 
1 1 1  -17   15   15 o  177.182   12.351  110.332   15.052   93.024   31.849  115.310   17.080  156.612   30.480  180.827   13.750 -24.21545 33.43767 
1 1 1  -17   15   16 o   51.105   20.054   5.8555   10.350   18.873   14.607  -7.2696   14.667   73.324   24.504   46.571   21.103 26.75317 32.33862 
1 1 1  -17   15   17 o  114.533   14.840   47.283   11.487   37.722   17.148   55.066   15.472   98.966   25.021  122.354   18.878 -23.38709 31.34320 
1 1 1  -17   15   18 o  132.717   12.960   63.033   11.752   52.323   15.689   76.725   17.740  118.171   19.889  144.416   18.149 -26.24457 26.92531 
1 1 1  -17   15   19 o   57.079   20.900   10.564   10.786   10.399   14.762   10.754   15.796   61.100   23.958   62.577   24.704 -1.477665 34.41311 
1 1 1  -17   17    1 o  538.689   6.2201  1004.59   23.191  939.024   38.930  1040.66   28.873  520.609   10.804  548.221   7.6095 -27.61176 13.21505 
1 1 1  -17   17    2 o  175.197   10.780  106.738   13.008  115.366   19.525   99.854   17.442  181.701   15.679  169.017   15.068 12.68393 21.74633 
1 1 1  -17   17    3 o  806.757   7.5529  2253.49   42.173  2173.17   71.400  2296.53   52.264  791.846   13.028  814.317   9.2732 -22.47162 15.99129 
1 1 1  -17   17    4 o  584.031   8.1874  1181.04   33.095  1162.93   46.883  1199.02   46.724  579.366   11.692  588.301   11.475 -8.935547 16.38238 
1 1 1  -17   17    5 o  347.674   6.6377  418.453   15.972  389.415   28.830  431.313   19.186  335.245   12.425  352.951   7.8539 -17.70636 14.69942 
1 1 1  -17   17    6 o  320.295   8.5341  355.228   18.918   0.0000   0.0000  355.228   18.918  ?   ?   320.295   8.5341 0.000000 8.534093 
1 1 1  -17   17    7 o  288.901   7.3454  288.972   14.687  241.171   23.920  317.900   18.608  263.787   13.102  302.983   8.8737 -39.19574 15.82410 
1 1 1  -17   17    8 o  215.495   7.9616  160.812   11.874  145.171   22.517  166.837   13.976  203.903   16.086  219.470   9.2008 -15.56677 18.53155 
1 1 1  -17   17    9 o  571.735   6.9952  1131.92   27.680  1168.29   47.001  1112.60   34.250  580.514   11.698  566.735   8.7318 13.77936 14.59758 
1 1 1  -17   17   10 o  353.492   6.5522  432.717   16.030  456.049   31.603  424.635   18.601  362.560   12.594  350.130   7.6759 12.43048 14.74908 
1 1 1  -17   17   11 o  599.012   6.3119  1242.72   26.168  1309.76   53.617  1221.76   29.982  614.205   12.613  593.857   7.2945 20.34790 14.57028 
1 1 1  -17   17   12 o  293.999   8.2228  299.702   16.732  381.951   32.024  268.819   19.623  331.288   13.967  278.294   10.188 52.99411 17.28778 
1 1 1  -17   17   13 o  181.340   17.218  116.207   21.351  178.293   28.065   30.912   32.896  224.720   18.201   99.931   36.514 124.7892 40.79887 
1 1 1  -17   17   14 f  321.926   7.9631  359.938   17.743  393.707   33.117  346.343   21.013  335.356   14.268  315.526   9.6221 19.82935 17.20938 
1 1 1  -17   17   15 o  196.072   10.315  134.461   13.949  179.902   30.556  122.499   15.678  223.895   19.927  186.722   12.198 37.17293 23.36433 
1 1 1  -17   17   16 o   91.667   19.104   31.128   11.727   11.826   15.216   59.366   18.404   64.931   24.615  126.554   21.799 -61.62348 32.87999 
1 1 1  -17   17   17 o   46.699   19.578   1.9972   10.658  -3.1009   14.804   7.4821   15.355   49.546   21.910   59.902   24.119 -10.35661 32.58481 
1 1 1  -17   17   18 o   59.561   21.163   11.852   10.959   15.303   14.826   7.6953   16.271   67.550   24.539   60.685   24.687 6.864395 34.80841 
1 1 1  -17   17   19 o   74.679   23.162   21.672   13.217   14.319   15.119   45.507   27.222   65.762   24.621  102.458   33.416 -36.69640 41.50689 
1 1 1  -17   19    1 o  862.180   7.7871  2573.85   46.468  2501.94   55.646  2739.51   84.460  849.938   9.4596  888.974   13.727 -39.03522 16.67101 
1 1 1  -17   19    2 o  192.192   8.8493  127.914   11.771  123.073   21.429  130.006   14.087  187.619   16.676  193.441   10.562 -5.821838 19.73948 
1 1 1  -17   19    3 o  638.145   6.7902  1409.79   29.990  1338.05   51.333  1446.96   36.952  621.444   11.935  646.443   8.2591 -24.99908 14.51398 
1 1 1  -17   19    4 o  746.738   7.3295  1930.51   37.881  1809.76   63.652  1996.74   47.137  722.689   12.726  759.356   8.9688 -36.66656 15.56876 
1 1 1  -17   19    5 o  110.273   14.834   42.912   11.034   0.0000   0.0000   42.912   11.034  ?   ?   110.273   14.834 0.000000 14.83423 
1 1 1  -17   19    6 o  572.320   8.2014  1134.16   32.487   0.0000   0.0000  1134.16   32.487  ?   ?   572.320   8.2014 0.000000 8.201386 
1 1 1  -17   19    7 o  248.508   8.2196  213.852   14.137  210.829   22.332  215.874   18.263  246.269   13.150  249.626   10.571 -3.356918 16.87155 
1 1 1  -17   19    8 o  538.867   5.8349  1005.27   21.762  964.878   41.695  1020.39   25.512  527.634   11.417  542.867   6.7901 -15.23248 13.28398 
1 1 1  -17   19    9 o  500.572   11.639  868.781   40.325  868.781   40.325   0.0000   0.0000  500.572   11.639  ?   ?  0.000000 11.63933 
1 1 1  -17   19   10 f   63.888   22.031   12.906   11.819   52.439   23.677  -0.2125   13.639  119.880   28.879   51.208   21.837 68.67234 36.20532 
1 1 1  -17   19   11 o  260.377   8.0112  234.952   14.437  239.415   29.305  233.522   16.590  261.753   16.257  259.521   9.2362 2.231995 18.69722 
1 1 1  -17   19   12 o  141.102   13.343   69.900   12.876   61.171   26.618   72.567   14.711  128.575   30.392  143.521   15.033 -14.94615 33.90686 
1 1 1  -17   19   13 o  128.817   19.765   59.722   17.059   49.805   26.606   66.644   22.229  115.472   32.121  134.948   24.711 -19.47523 40.52625 
1 1 1  -17   19   14 o  142.294   14.143   71.593   13.744   37.868   26.934   83.467   15.981  102.082   33.236  153.499   15.244 -51.41616 36.56525 
1 1 1  -17   19   15 o   80.489   22.380   24.020   12.919   22.580   27.848   24.414   14.583   87.375   33.258   81.380   24.148 5.994858 41.09998 
1 1 1  -17   19   16 o  135.581   11.829   64.982   10.989   60.796   14.541   70.555   16.779  129.796   16.564  139.561   17.774 -9.765442 24.29585 
1 1 1  -17   19   17 o   36.874   17.160  -8.8883   10.631  -4.9250   14.193 -13.9543   16.047   46.998   21.074   44.538   20.844 2.460701 29.64061 
1 1 1  -17   19   18 o  120.065   16.689   52.982   13.493   73.512   18.287   28.444   19.992  140.492   19.318   85.631   28.667 54.86124 34.56804 
1 1 1  -17   19   19 o   87.709   20.247   29.873   12.042   40.997   15.008   9.7707   20.176  102.306   21.859   65.715   27.192 36.59117 34.88890 
1 1 1  -17   21    1 o  526.566   6.2271  959.833   22.694  926.120   27.477  1032.19   40.255  517.192   7.6760  545.882   10.655 -28.68982 13.13192 
1 1 1  -17   21    2 o  1021.91   7.6462  3615.62   54.080  3490.75   74.058  3758.28   79.158  1003.88   10.659  1041.61   10.980 -37.72876 15.30292 
1 1 1  -17   21    3 o  1318.34   10.842  6020.28   98.926  6023.10  121.118  6014.63  171.459  1318.34   13.274  1316.47   18.818 1.873047 23.02866 
1 1 1  -17   21    4 o  166.768   8.0626   96.294   9.3061   78.293   17.591  103.290   10.966  149.233   17.355  172.460   9.2209 -23.22705 19.65257 
1 1 1  -17   21    5 o  604.587   6.6666  1265.39   27.896  1206.83   46.040  1299.36   35.065  590.228   11.270  612.588   8.2704 -22.35962 13.97939 
1 1 1  -17   21    6 o  967.177   7.4045  3238.75   49.565  3103.42   94.304  3290.40   58.261  946.096   14.402  974.771   8.6358 -28.67548 16.79259 
1 1 1  -17   21    7 o  433.672   5.7537  651.064   17.270  603.903   31.644  671.069   20.610  417.476   10.952  440.255   6.7638 -22.77872 12.87210 
1 1 1  -17   21    8 o   98.114   17.102   34.401   11.191   36.395   20.587   33.564   13.334  100.683   28.343   96.406   20.608 4.276314 35.04282 
1 1 1  -17   21    9 o  272.620   7.2717  257.402   13.721  267.659   26.915  253.801   15.949  277.338   14.068  270.666   8.5135 6.672455 16.44333 
1 1 1  -17   21   10 o  426.046   6.2924  628.616   18.554  612.195   36.531  634.324   21.540  419.977   12.568  427.923   7.2727 -7.946320 14.52035 
1 1 1  -17   21   11 o  199.050   9.5088  137.422   13.100  129.756   26.126  139.997   15.141  191.670   19.988  200.536   10.950 -8.865784 22.79122 
1 1 1  -17   21   12 o  134.352   18.608   64.398   16.839   43.444   27.207   77.408   21.438  109.300   33.109  146.808   21.758 -37.50860 39.61850 
1 1 1  -17   21   13 f  247.054   8.2054  211.926   14.030  268.878   30.636  196.811   15.783  276.518   16.077  237.936   9.5840 38.58237 18.71716 
1 1 1  -17   21   14 o   78.850   31.537   13.385   26.062   13.385   26.062   0.0000   0.0000   78.850   31.537  ?   ?  0.000000 31.53696 
1 1 1  -17   21   15 o   83.245   22.923   25.839   13.627   23.093   28.074   26.685   15.586   87.742   33.394   84.716   24.919 3.025795 41.66660 
1 1 1  -17   21   16 o   69.322   20.345   17.727   10.400   20.565   13.501   13.587   16.309   74.854   23.441   67.870   25.541 6.984764 34.66723 
1 1 1  -17   21   17 o  130.362   11.087   60.196   9.9085   56.445   11.174   74.000   21.437  125.650   13.038  139.900   22.935 -14.24966 26.38168 
1 1 1  -17   21   18 o   85.739   18.492   27.818   10.651   27.818   10.651   0.0000   0.0000   85.739   18.492  ?   ?  0.000000 18.49184 
1 1 1  -17   21   19 o  112.312   12.837   45.743   9.7992   38.876   11.125   69.512   20.697  102.012   16.306  132.673   23.395 -30.66118 28.51710 
1 1 1  -17   23    1 o  266.130   8.7094  245.246   16.042  245.246   16.042   0.0000   0.0000  266.130   8.7094  ?   ?  0.000000 8.709444 
1 1 1  -17   23    2 o  462.717   6.1470  741.156   19.686  666.829   32.243  785.330   24.857  438.770   10.617  476.270   7.5407 -37.49988 13.02271 
1 1 1  -17   23    3 o  320.604   5.6011  355.791   12.428  331.220   23.503  365.330   14.643  309.224   10.982  324.859   6.5128 -15.63495 12.76775 
1 1 1  -17   23    4 o  512.552   6.2578  909.420   22.199  808.781   34.991  977.213   28.719  483.220   10.463  531.265   7.8105 -48.04520 13.05635 
1 1 1  -17   23    5 o  1170.23   9.8498  4743.10   79.776  4494.63  129.872  4893.65  101.098  1138.28   16.485  1188.37   12.292 -50.08789 20.56309 
1 1 1  -17   23    6 o  552.429   6.6376  1056.56   25.378  976.585   40.261  1109.28   32.691  530.908   10.957  565.972   8.3455 -35.06439 13.77316 
1 1 1  -17   23    7 o  772.750   7.5894  2067.85   40.590  2060.00   68.236  2072.16   50.496  770.801   12.791  773.411   9.4335 -2.610046 15.89310 
1 1 1  -17   23    8 o  295.777   7.4240  302.977   15.198  272.878   25.409  319.744   18.964  280.475   13.089  303.796   9.0194 -23.32126 15.89573 
1 1 1  -17   23    9 o  691.216   7.4736  1654.92   35.754  1630.24   59.446  1668.91   44.753  685.466   12.530  693.952   9.3179 -8.485535 15.61510 
1 1 1  -17   23   10 o  224.304   8.6122  174.379   13.370  191.658   27.077  168.808   15.375  234.051   16.827  220.629   10.069 13.42155 19.60964 
1 1 1  -17   23   11 o  165.925   11.164   96.042   12.746  118.244   26.165   89.134   14.594  182.516   21.102  159.534   13.340 22.98190 24.96506 
1 1 1  -17   23   12 o   83.749   21.097   25.658   12.223   64.439   26.211   14.882   13.817  131.719   29.486   68.322   23.805 63.39690 37.89645 
1 1 1  -17   23   13 o   56.487   20.113   9.7877   9.9028   26.554   13.177 -11.9702   15.011   84.918   22.178   44.533   20.609 40.38543 30.27530 
1 1 1  -17   23   14 o  111.501   17.741   44.984   13.232   30.849   27.606   49.200   15.078   95.020   33.608  116.262   19.423 -21.24133 38.81651 
1 1 1  -17   23   15 o   63.366   21.159   13.815   10.892   5.0463   13.750   28.585   17.846   55.618   22.667   87.604   26.872 -31.98688 35.15560 
1 1 1  -17   23   16 o  157.404   10.467   87.172   11.338   87.143   14.866   87.211   17.531  156.415   13.877  155.564   16.536 0.8513489 21.58700 
1 1 1  -17   23   17 o  130.079   10.875   59.934   9.7007   55.144   10.828   79.415   21.836  124.187   12.780  145.021   22.483 -20.83385 25.86175 
1 1 1  -17   23   18 o   50.753   20.003   6.2640   10.340   6.2640   10.340   0.0000   0.0000   50.753   20.003  ?   ?  0.000000 20.00297 
1 1 1  -17   23   19 o   39.239   17.785  -4.3808   10.424  -4.7057   11.971  -3.3615   21.202   42.060   19.062   56.973   25.635 -14.91237 31.94525 
1 1 1  -17   25    1 o  725.268   7.1435  1821.06   35.858  1808.78   62.302  1827.15   43.848  722.513   12.459  726.405   8.7217 -3.892212 15.20834 
1 1 1  -17   25    2 o  351.836   5.5197  428.486   13.441  425.220   26.336  429.636   15.630  350.367   10.861  352.293   6.4102 -1.925659 12.61123 
1 1 1  -17   25    3 o  1139.69   8.3098  4497.52   65.547  4186.83  121.545  4624.93   77.835  1098.76   15.983  1155.60   9.7318 -56.83582 18.71265 
1 1 1  -17   25    4 o  415.106   6.4295  596.521   18.472  625.366   31.328  581.147   22.871  424.888   10.653  409.679   8.0660 15.20874 13.36221 
1 1 1  -17   25    5 o  436.341   5.5533  659.070   16.771  608.781   31.083  679.722   19.919  419.190   10.714  443.100   6.4952 -23.90991 12.52872 
1 1 1  -17   25    6 o  649.141   6.0432  1458.82   27.151  1363.42   50.209  1498.26   32.277  627.212   11.566  657.804   7.0896 -30.59235 13.56611 
1 1 1  -17   25    7 o  378.189   6.1366  495.198   16.063  454.293   29.684  512.135   19.101  361.991   11.848  384.568   7.1763 -22.57690 13.85194 
1 1 1  -17   25    8 o  275.926   7.1529  263.677   13.660  265.659   24.949  262.829   16.324  276.711   13.027  275.435   8.5632 1.275513 15.58979 
1 1 1  -17   25    9 o  374.065   6.5115  484.597   16.858  490.732   32.294  482.299   19.765  376.039   12.408  373.121   7.6535 2.917389 14.57875 
1 1 1  -17   25   10 o  170.898   10.657  101.732   12.542  103.756   25.047  101.055   14.489  170.889   21.664  170.129   12.390 0.7598877 24.95654 
1 1 1  -17   25   11 o  208.752   9.6831  151.269   13.990  160.252   15.981  121.805   28.943  214.512   10.799  184.618   23.161 29.89349 25.55482 
1 1 1  -17   25   12 o   93.972   15.974   31.744   10.018   31.714   13.433   31.783   15.036   92.978   21.328   92.909   23.397 0.6910706E-01 31.65953 
1 1 1  -17   25   13 o   67.416   24.297   13.945   14.493   0.0000   0.0000   13.945   14.493  ?   ?    67.416   24.297 0.000000 24.29662 
1 1 1  -17   25   14 o   52.037   20.423   5.9578   10.736  -7.4927   16.376   16.098   14.219   49.715   22.434   69.637   24.156 -19.92200 32.96634 
1 1 1  -17   25   15 f   45.885   19.397   1.1251   10.602   0.9063   13.371   1.4956   17.401   50.797   21.640   57.811   24.659 -7.014069 32.80823 
1 1 1  -17   25   16 o  177.372   9.2841  110.296   11.358  126.879   14.797   86.516   17.719  189.696   11.322  154.681   16.822 35.01431 20.27765 
1 1 1  -17   25   17 o   66.485   22.361   15.858   12.165   15.858   12.165   0.0000   0.0000   66.485   22.361  ?   ?  0.000000 22.36069 
1 1 1  -17   25   18 f   93.958   15.447   32.642   9.6957   21.053   10.842   78.927   21.667   73.886   20.487  142.997   22.647 -69.11037 30.53842 
1 1 1  -17   27    1 o  416.289   5.3908  599.851   15.532  565.366   30.283  612.162   18.093  403.993   10.830  420.521   6.2165 -16.52853 12.48768 
1 1 1  -17   27    2 o  624.562   6.6938  1350.42   28.935  1281.46   47.327  1391.58   36.565  608.191   11.243  633.941   8.3337 -25.74988 13.99500 
1 1 1  -17   27    3 o  588.328   6.6100  1198.28   26.915  1167.81   45.046  1215.21   33.566  580.579   11.210  592.404   8.1866 -11.82538 13.88130 
1 1 1  -17   27    4 f  845.889   7.8647  2477.66   46.044  2282.44   73.446  2604.06   59.100  811.440   13.078  867.046   9.8484 -55.60577 16.37138 
1 1 1  -17   27    5 o  287.292   6.4007  285.754   12.727  259.073   23.749  296.503   15.075  273.375   12.552  292.623   7.4432 -19.24765 14.59293 
1 1 1  -17   27    6 o  120.450   16.023   51.248   13.026   51.024   20.133   51.410   17.083  118.732   25.276  119.765   21.394 -1.032639 33.11421 
1 1 1  -17   27    7 o  498.734   6.5976  861.309   22.774  845.854   38.607  869.557   28.203  493.940   11.293  501.035   8.1330 -7.095184 13.91686 
1 1 1  -17   27    8 o  584.510   6.1034  1183.06   24.691  1156.58   47.065  1193.11   29.003  577.438   11.777  586.920   7.1397 -9.481750 13.77185 
1 1 1  -17   27    9 o  518.030   6.1052  929.383   21.889  892.683   41.693  943.348   25.719  507.151   11.878  521.835   7.1211 -14.68362 13.84914 
1 1 1  -17   27   10 o  105.696   14.531   39.602   10.349   51.589   13.430   22.077   16.238  120.545   16.532   80.111   25.782 40.43394 30.62727 
1 1 1  -17   27   11 o   89.470   16.562   28.860   9.8782   30.151   13.215   27.224   14.871   90.776   21.385   86.451   24.002 4.325043 32.14715 
1 1 1  -17   27   12 o  121.293   12.038   51.778   9.9718   45.858   13.505   58.876   14.787  112.889   17.881  128.417   17.059 -15.52847 24.71278 
1 1 1  -17   27   13 o   53.209   21.585   4.5292   12.397   8.8390   25.323   3.1708   14.217   74.554   30.616   54.816   22.766 19.73737 38.15293 
1 1 1  -17   27   14 o  143.227   11.122   72.130   10.939   76.495   13.917   65.073   17.694  146.902   13.852  133.721   19.709 13.18152 24.09000 
1 1 1  -17   27   15 o   64.233   20.734   14.644   10.495   31.902   12.894 -19.2488   18.069   92.310   20.693   45.608   21.582 46.70203 29.89963 
1 1 1  -17   27   16 o   99.972   16.213   36.569   10.834   38.348   13.025   32.576   19.516  101.398   19.265   91.645   28.100 9.753960 34.06974 
1 1 1  -17   27   17 o   72.389   20.162   19.919   10.476   23.213   13.182   14.273   17.260   77.729   22.932   68.340   26.142 9.388954 34.77451 
1 1 1  -17   27   18 o   49.802   19.320   6.6184   9.5226   1.7817   10.642   26.054   21.332   45.732   19.388   82.010   29.485 -36.27746 35.28857 
1 1 1  -17   29    1 o  935.574   7.1993  3030.52   46.617  2896.58   89.441  3080.48   54.624  914.023   14.138  943.173   8.3678 -29.14960 16.42914 
1 1 1  -17   29    2 o  719.306   6.1757  1791.17   30.745  1681.46   58.089  1833.86   36.237  696.563   12.049  727.779   7.1940 -31.21613 14.03348 
1 1 1  -17   29    3 o  405.939   7.6921  570.606   21.612  524.878   29.851  620.976   31.329  389.204   11.082  423.355   10.692 -34.15088 15.39889 
1 1 1  -17   29    4 o  635.573   6.9190  1398.66   30.436  1243.42   47.656  1505.60   39.553  598.978   11.496  659.322   8.6677 -60.34454 14.39717 
1 1 1  -17   29    5 o  291.900   7.8067  295.084   15.772  271.561   25.477  309.700   20.083  279.827   13.155  298.979   9.7052 -19.15182 16.34735 
1 1 1  -17   29    6 o  227.290   7.9514  178.935   12.508  142.390   23.332  193.676   14.818  201.746   16.864  236.436   9.0552 -34.68991 19.14148 
1 1 1  -17   29    7 o  1069.77   8.0611  3964.46   59.685  3733.17  111.332  4057.75   70.703  1036.63   15.517  1082.07   9.4407 -45.44336 18.16356 
1 1 1  -17   29    8 o  741.894   6.5758  1906.29   33.765  1818.54   63.565  1940.79   39.852  723.800   12.689  748.461   7.6932 -24.66193 14.83890 
1 1 1  -17   29    9 o  256.900   6.8562  228.648   12.191  247.262   16.333  205.240   18.317  267.052   8.8369  243.184   10.883 23.86722 14.01867 
1 1 1  -17   29   10 o  175.889   10.495  107.823   12.719  102.782   14.280  127.171   27.974  171.508   12.108  189.052   21.778 -17.54387 24.91693 
1 1 1  -17   29   11 o  174.380   8.9456  105.874   10.760  100.474   14.450  112.595   16.121  169.377   12.413  179.241   13.085 -9.863632 18.03638 
1 1 1  -17   29   12 o  137.885   10.557   66.587   9.9987   65.666   13.191   67.831   15.330  136.268   14.194  138.045   16.363 -1.776932 21.66197 
1 1 1  -17   29   13 o   63.064   20.475   13.805   10.225   3.5429   14.886   22.972   14.069   56.163   23.308   79.306   23.761 -23.14264 33.28464 
1 1 1  -17   29   14 o  151.978   10.041   80.991   10.503   73.164   13.843   91.607   16.123  143.479   14.123  160.537   14.673 -17.05865 20.36542 
1 1 1  -17   29   15 o   65.963   19.586   15.975   9.5910   24.767   12.358   2.6575   15.210   81.080   21.624   55.235   23.284 25.84554 31.77652 
1 1 1  -17   29   16 o   72.984   23.178   19.778   13.157   19.778   13.157   0.0000   0.0000   72.984   23.178  ?   ?  0.000000 23.17817 
1 1 1  -17   29   17 f   72.230   20.609   19.918   10.809   27.618   13.667   7.0560   17.663   84.175   22.866   61.495   25.444 22.67995 34.20869 
1 1 1  -17   29   18 o  107.438   17.325   43.398   12.445   45.366   15.496   39.824   20.885  107.715   21.539   97.078   28.920 10.63663 36.05924 
1 1 1  -17   31    1 o  570.266   6.6575  1125.93   26.276  1133.66   44.742  1121.86   32.465  571.959   11.302  569.161   8.2414 2.798218 13.98802 
1 1 1  -17   31    2 o  182.574   9.4668  115.778   11.921   62.146   20.553  142.969   14.635  131.669   23.412  202.864   10.459 -71.19553 25.64176 
1 1 1  -17   31    3 o  478.555   6.6012  792.930   21.864  813.658   37.321  782.099   26.978  484.538   11.129  475.208   8.2027 9.330078 13.82522 
1 1 1  -17   31    4 o  810.094   6.7100  2272.31   37.622  2146.83   70.865  2321.56   44.394  786.780   13.014  818.739   7.8344 -31.95856 15.19001 
1 1 1  -17   31    5 o  890.411   8.2223  2746.27   50.671  2761.95   86.522  2738.08   62.513  892.139   14.012  888.859   10.162 3.280273 17.30917 
1 1 1  -17   31    6 o  616.213   6.8552  1315.02   29.237  1230.24   47.767  1365.80   36.971  595.609   11.587  627.873   8.5078 -32.26379 14.37534 
1 1 1  -17   31    7 o  183.781   9.7894  117.419   12.407  151.463   23.858  104.800   14.525  208.016   16.713  173.364   12.183 34.65254 20.68209 
1 1 1  -17   31    8 o  355.788   6.0033  438.408   14.783  424.152   19.835  456.220   22.172  349.834   8.1922  362.774   8.8305 -12.93970 12.04529 
1 1 1  -17   31    9 o  401.103   5.7804  557.287   16.047  550.005   21.633  566.195   23.927  398.311   7.8472  404.063   8.5559 -5.752075 11.60956 
1 1 1  -17   31   10 o   68.047   19.892   16.571   9.9593   8.1235   13.126   28.033   15.290   58.882   22.727   87.687   24.335 -28.80554 33.29773 
1 1 1  -17   31   11 o  171.436   9.0194  102.400   10.664  109.816   14.319   93.163   15.980  177.150   11.746  162.632   14.344 14.51749 18.53923 
1 1 1  -17   31   12 o  172.639   11.016  104.338   13.094  102.244   23.705  105.257   15.708  168.457   20.771  172.967   13.222 -4.509735 24.62240 
1 1 1  -17   31   13 o  172.905   9.4867  104.493   11.309  111.096   14.448   94.049   18.172  177.827   11.807  162.382   16.393 15.44522 20.20228 
1 1 1  -17   31   14 o  210.941   7.8079  154.893   11.399  158.207   15.605  151.101   16.692  212.659   10.602  207.274   11.683 5.385162 15.77664 
1 1 1  -17   31   15 o  145.396   10.075   74.388   10.076   70.415   13.112   80.116   15.744  140.464   13.661  149.300   15.460 -8.836227 20.63075 
1 1 1  -17   31   16 o   91.778   17.889   31.442   10.955   29.667   12.880   36.083   20.829   88.026   21.359   95.227   28.998 -7.201225 36.01485 
1 1 1  -17   31   17 o   37.974   17.402  -6.1070   10.338   9.7145   13.076 -32.4779   16.881   58.576   22.663   37.443   18.436 21.13318 29.21481 
1 1 1  -17   31   18 o  117.327   14.232   50.530   11.320   55.834   15.870   45.036   16.152  120.456   19.719  106.261   22.654 14.19517 30.03410 
1 1 1  -17   33    1 o   55.950   21.124   7.8413   11.178   16.668   18.750   2.9750   13.922   76.103   27.603   54.862   22.635 21.24067 35.69731 
1 1 1  -17   33    2 o  248.796   8.3668  214.401   14.407  182.781   22.749  235.576   18.616  229.064   14.423  260.732   10.316 -31.66766 17.73284 
1 1 1  -17   33    3 o  334.706   6.2723  387.887   14.530  390.341   29.116  387.073   16.767  335.494   12.539  334.324   7.2463 1.170105 14.48239 
1 1 1  -17   33    4 o  275.189   8.2734  262.326   15.758  251.122   25.476  269.269   20.054  268.662   13.747  278.726   10.395 -10.06345 17.23488 
1 1 1  -17   33    5 o  488.450   11.290  827.317   38.167  827.317   38.167   0.0000   0.0000  488.450   11.290  ?   ?  0.000000 11.28993 
1 1 1  -17   33    6 o  756.470   6.5577  1981.84   34.334  1918.05   65.555  2005.95   40.304  743.393   12.741  760.951   7.6527 -17.55835 14.86271 
1 1 1  -17   33    7 o  510.081   5.7211  901.008   20.197  869.633   27.526  937.604   29.728  500.959   7.9388  520.140   8.2578 -19.18045 11.45499 
1 1 1  -17   33    8 o  389.080   5.8657  524.353   15.796  510.585   21.339  541.039   23.492  383.783   8.0338  395.014   8.5928 -11.23077 11.76340 
1 1 1  -17   33    9 f  146.922   12.348   75.619   12.440   76.936   14.047   70.829   26.786  147.972   13.878  138.655   28.851 9.317307 32.01549 
1 1 1  -17   33   10 o  306.405   6.3741  325.487   13.517  318.982   17.955  333.995   20.537  303.107   8.5589  310.030   9.5709 -6.923431 12.83972 
1 1 1  -17   33   11 o  161.826   9.5075   91.395   10.602   81.772   13.853  105.000   16.471  152.406   13.265  172.713   13.897 -20.30655 19.21158 
1 1 1  -17   33   12 o  186.239   8.4866  120.634   10.939  113.388   14.580  129.965   16.546  179.768   11.784  192.353   12.496 -12.58557 17.17594 
1 1 1  -17   33   13 o  183.491   8.4914  117.237   10.784  119.057   14.718  115.126   15.846  184.065   11.613  180.704   12.751 3.360672 17.24683 
1 1 1  -17   33   14 o   97.350   14.849   34.269   9.6880   44.914   12.821   20.099   14.791  111.007   17.247   74.808   24.643 36.19855 30.07913 
1 1 1  -17   33   15 o   71.891   21.257   19.328   11.315   26.910   12.316 -21.7220   28.657   84.182   21.161   59.419   27.823 24.76252 34.95588 
1 1 1  -17   33   16 o  155.809   10.859   85.977   11.637   88.418   13.843   80.098   21.484  157.316   12.826  145.364   22.046 11.95186 25.50508 
1 1 1  -17   33   17 o  103.604   22.891   42.271   15.977   28.805   23.214   54.390   22.022   85.511   30.757  114.799   27.973 -29.28883 41.57524 
1 1 1  -17   35    1 o  602.652   6.8444  1257.69   28.548  1152.19   46.246  1322.64   36.288  576.461   11.591  617.906   8.4852 -41.44440 14.36506 
1 1 1  -17   35    2 o  348.062   9.0186  419.742   21.726  417.171   28.738  423.171   33.190  346.836   11.972  349.204   13.733 -2.368744 18.21820 
1 1 1  -17   35    3 o  587.058   5.9360  1193.29   24.119  1119.02   45.649  1222.05   28.407  568.058   11.611  594.033   6.9095 -25.97473 13.51107 
1 1 1  -17   35    4 o  401.139   6.6977  557.266   18.595  546.341   32.257  562.704   22.757  396.880   11.743  403.018   8.1585 -6.138794 14.29921 
1 1 1  -17   35    5 o  323.731   7.2376  363.026   16.216  306.488   27.543  393.023   20.062  297.107   13.394  336.773   8.6072 -39.66650 15.92159 
1 1 1  -17   35    6 o  339.340   6.1058  398.806   14.340  398.144   19.688  399.553   20.928  338.938   8.3929  339.506   8.9066 -0.5673828 12.23794 
1 1 1  -17   35    7 f  736.867   6.3680  1880.96   32.477  1828.90   44.428  1940.71   47.593  726.245   8.8389  748.054   9.1924 -21.80853 12.75254 
1 1 1  -17   35    8 o  557.886   5.8693  1078.27   22.663  1056.16   30.597  1105.13   33.731  551.870   8.0106  564.424   8.6348 -12.55438 11.77834 
1 1 1  -17   35    9 o  339.097   6.0850  398.532   14.281  386.211   19.169  413.901   21.409  333.593   8.3024  345.264   8.9593 -11.67072 12.21470 
1 1 1  -17   35   11 o  139.736   13.779   69.024   13.152   13.693   23.966   92.868   15.733   77.043   30.425  162.194   14.157 -85.15112 33.55737 
1 1 1  -17   35   12 o  265.079   7.0124  244.094   12.865  270.624   17.394  212.051   19.116  278.767   9.0155  246.340   11.212 32.42740 14.38714 
1 1 1  -17   35   13 f   52.544   19.647   7.7182   9.6201   9.6450   13.259   5.5761   13.980   60.049   22.926   56.444   22.913 3.604958 32.41290 
1 1 1  -17   35   14 o   50.660   20.433   4.7804   11.041   9.4797   12.074 -19.2000   27.276   58.040   21.945   59.099   27.497 -1.059353 35.18087 
1 1 1  -17   35   15 o  104.751   13.983   39.643   9.8845   41.216   12.866   37.377   15.442  105.358   18.308   98.519   23.056 6.839081 29.44035 
1 1 1  -17   35   16 o  151.083   10.766   80.946   11.183   79.115   14.340   83.789   17.866  148.061   14.167  150.869   17.431 -2.808304 22.46224 
1 1 1  -17   35   17 o   99.398   18.044   37.500   11.956   21.640   14.255   75.122   21.955   74.402   24.177  137.741   23.896 -63.33961 33.99365 
1 1 1  -17   37    1 o  511.564   6.8448  906.325   24.235  842.927   39.258  945.361   30.805  492.999   11.505  522.353   8.5207 -29.35464 14.31706 
1 1 1  -17   37    2 o   62.298   21.270   12.427   11.008 -13.5805   21.767   21.365   12.760   56.027   25.512   77.469   22.479 -21.44217 34.00296 
1 1 1  -17   37    3 o  482.248   6.8927  805.491   23.006  785.366   38.474  816.691   28.702  475.804   11.683  485.478   8.5422 -9.674011 14.47304 
1 1 1  -17   37    4 o  479.682   6.5864  796.937   21.866  767.805   37.435  812.024   26.940  470.424   11.498  484.101   8.0405 -13.67673 14.03026 
1 1 1  -17   37    5 o  202.049   7.9549  141.471   11.124  139.197   15.068  144.197   16.492  199.998   10.927  203.480   11.761 -3.481857 16.05351 
1 1 1  -17   37    6 o  426.027   6.8082  628.851   20.075  540.976   33.022  680.364   25.283  394.628   12.090  443.008   8.2459 -48.38019 14.63452 
1 1 1  -17   37    7 o   91.786   16.584   30.295   10.148   18.008   13.420   46.700   15.507   72.511   23.449  113.741   20.450 -41.23013 31.11383 
1 1 1  -17   37    8 o  112.513   15.342   45.009   11.636   49.198   13.269   31.063   24.209  117.430   16.805   94.880   31.540 22.55009 35.73764 
1 1 1  -17   37    9 o  220.010   11.809  169.120   17.916   0.0000   0.0000  169.120   17.916  ?   ?   220.010   11.809 0.000000 11.80870 
1 1 1  -17   37   10 o   54.680   19.936   8.7333   9.7979   3.6540   12.581   16.561   15.619   52.640   21.594   71.792   25.291 -19.15186 33.25615 
1 1 1  -17   37   11 o  126.849   11.783   56.704   10.227   65.198   13.589   45.609   15.531  135.451   14.733  111.406   20.910 24.04450 25.57907 
1 1 1  -17   37   12 o  236.652   7.2886  194.695   11.938  224.099   16.349  161.115   17.472  253.526   9.3175  214.164   11.833 39.36200 15.06146 
1 1 1  -17   37   13 o   79.722   17.922   23.576   9.6486   21.558   12.997   26.053   14.400   76.229   22.838   83.178   23.806 -6.949547 32.98997 
1 1 1  -17   37   14 o   88.963   16.255   29.102   9.6397   20.388   12.763   40.672   14.708   73.977   22.731  103.852   21.180 -29.87534 31.06926 
1 1 1  -17   37   15 o   39.676   17.650  -2.8219   9.7472  -6.9142   12.501   3.5249   15.568   42.080   19.228   55.899   23.560 -13.81903 30.41048 
1 1 1  -17   37   16 o   71.057   23.491   19.018   13.436 -14.7854   22.892   36.781   16.594   53.873   25.107   95.936   24.808 -42.06240 35.29612 
1 1 1  -17   39    1 o  625.965   6.0582  1356.94   26.246  1240.49   48.806  1404.32   31.131  597.903   11.794  636.718   7.0644 -38.81451 13.74787 
1 1 1  -17   39    2 o  614.029   6.0760  1305.72   25.822  1260.00   50.485  1321.92   30.050  602.513   12.106  617.748   7.0283 -15.23462 13.99871 
1 1 1  -17   39    3 o  224.974   8.2934  175.413   12.914  199.756   25.652  167.149   14.945  239.128   15.585  219.545   9.8357 19.58266 18.42889 
1 1 1  -17   39    4 o  381.661   8.2958  504.914   21.913  512.195   32.069  498.537   30.013  384.051   12.065  378.962   11.443 5.089233 16.62848 
1 1 1  -17   39    5 o  193.663   8.0445  130.022   10.783  121.133   14.203  142.115   16.567  186.455   11.055  201.908   11.908 -15.45267 16.24846 
1 1 1  -17   39    6 o  179.698   10.257  112.492   12.703  119.202   14.917   94.780   24.235  184.815   11.722  162.793   22.079 22.02153 24.99834 
1 1 1  -17   39    7 o   49.092   20.336   2.3258   11.302  -9.1018   12.888   40.376   23.518   42.264   19.390  104.942   30.536 -62.67855 36.17274 
1 1 1  -17   39    8 o  212.333   12.078  157.594   17.677   0.0000   0.0000  157.594   17.677  ?   ?   212.333   12.078 0.000000 12.07845 
1 1 1  -17   39   10 o  102.658   22.656   39.103   15.666   0.0000   0.0000   39.103   15.666  ?   ?   102.658   22.656 0.000000 22.65645 
1 1 1  -17   39   11 o  133.417   11.075   62.620   10.134   80.152   13.396   39.163   15.495  150.638   12.976  102.474   22.467 48.16400 25.94469 
1 1 1  -17   39   12 o  155.628   9.6162   84.874   10.307   81.624   13.957   88.772   15.286  151.706   13.432  158.062   14.121 -6.356186 19.48916 
1 1 1  -17   39   13 o  172.390   10.556  104.539   12.534  104.750   13.821  103.561   29.741  172.258   11.661  164.555   27.054 7.702988 29.46036 
1 1 1  -17   39   14 o   81.639   18.286   25.002   10.076   29.023   13.694   20.255   14.878   86.955   22.560   74.348   24.726 12.60637 33.47151 
1 1 1  -17   39   15 o   52.091   19.883   7.5602   9.9715   0.5733   12.975   17.640   15.585   48.974   21.099   70.750   25.227 -21.77595 32.88757 
1 1 1  -17   39   16 o   35.088   16.441  -8.9075   10.035  -5.3504   13.371 -13.4959   15.186   44.393   20.130   42.499   20.011 1.894302 28.38432 
1 1 1  -17   41    1 o  527.190   5.9334  962.612   21.650  891.707   41.352  989.386   25.410  506.767   11.790  534.394   6.8702 -27.62643 13.64561 
1 1 1  -17   41    2 o  586.701   6.0216  1192.28   24.452  1096.10   45.909  1230.37   28.890  561.807   11.807  595.903   7.0049 -34.09595 13.72852 
1 1 1  -17   41    3 o  422.780   11.976  620.976   35.044  620.976   35.044   0.0000   0.0000  422.780   11.976  ?   ?  0.000000 11.97644 
1 1 1  -17   41    4 o  267.957   6.6240  248.803   12.285  248.987   16.669  248.583   18.174  267.906   8.9900  267.626   9.8118 0.2800293 13.30757 
1 1 1  -17   41    5 o  284.668   12.888  282.049   25.393   0.0000   0.0000  282.049   25.393  ?   ?   284.668   12.888 0.000000 12.88835 
1 1 1  -17   41    6 o  354.647   6.7233  436.045   16.503  430.754   19.871  447.805   29.626  352.338   8.1486  358.695   11.934 -6.356750 14.45026 
1 1 1  -17   41    7 o  103.572   14.948   38.261   10.405   38.481   14.044   37.994   15.493  102.711   20.474  101.650   22.606 1.060913 30.49971 
1 1 1  -17   41    8 o  125.818   11.657   55.652   10.035   62.617   13.418   46.810   15.118  132.917   14.839  113.497   19.976 19.42031 24.88395 
1 1 1  -17   41    9 o  151.677   12.682   80.986   13.191   87.220   22.503   77.722   16.282  155.101   21.544  147.780   16.184 7.320633 26.94597 
1 1 1  -17   41   10 o  303.987   6.9573  320.966   14.638  307.100   17.544  352.732   26.554  297.072   8.5327  317.498   12.084 -20.42557 14.79281 
1 1 1  -17   41   11 o  105.421   13.896   39.765   9.8920   38.203   12.882   42.009   15.442  101.935   18.958  106.184   21.743 -4.249542 28.84727 
1 1 1  -17   41   12 o  180.217   8.4165  113.246   10.498  124.352   13.945   98.722   15.948  188.104   10.756  166.624   13.958 21.48018 17.62143 
1 1 1  -17   41   13 o   78.531   18.218   23.074   9.7099   32.490   13.003   11.204   14.599   92.710   20.779   62.945   24.051 29.76518 31.78393 
1 1 1  -17   41   14 o   33.985   16.049 -10.4569   9.8985 -18.8754   13.070   0.8657   15.158   36.121   17.426   52.969   22.813 -16.84756 28.70705 
1 1 1  -17   41   15 o  128.014   15.259   59.851   13.253   44.068   24.077   66.712   15.874  102.401   31.175  134.178   17.511 -31.77722 35.75666 
1 1 1  -17   41   16 o  107.749   14.773   42.855   10.727   67.246   14.667   14.802   15.730  134.663   16.053   66.134   25.038 68.52876 29.74211 
1 1 1  -17   43    1 o  136.571   14.244   65.643   13.266   0.0000   0.0000   65.643   13.266  ?   ?   136.571   14.244 0.000000 14.24395 
1 1 1  -17   43    2 o   43.698   19.102  -2.2999   10.958  -3.1537   20.515  -1.9590   12.962   60.268   26.246   48.141   20.914 12.12667 33.55975 
1 1 1  -17   43    3 o  358.828   7.9440  446.551   19.729  446.551   19.729   0.0000   0.0000  358.828   7.9440  ?   ?  0.000000 7.943956 
1 1 1  -17   43    4 o  270.892   6.5290  254.357   12.241  241.553   16.500  270.032   18.256  263.789   9.0375  278.865   9.4588 -15.07578 13.08226 
1 1 1  -17   43    5 o  177.195   8.6512  109.004   10.610  127.901   14.454   86.929   15.623  191.448   10.954  157.129   14.530 34.31836 18.19652 
1 1 1  -17   43    6 o  187.394   11.075  122.668   14.301  122.668   14.301   0.0000   0.0000  187.394   11.075  ?   ?  0.000000 11.07537 
1 1 1  -17   43    7 o  309.223   7.1906  331.845   15.389  330.333   18.187  335.659   28.876  308.339   8.5224  309.887   13.463 -1.547180 15.93407 
1 1 1  -17   43    8 o  348.214   6.0095  420.573   14.483  433.048   20.078  407.042   20.911  352.987   8.2185  342.110   8.8315 10.87723 12.06398 
1 1 1  -17   43    9 o  282.269   9.9077  277.730   19.356   0.0000   0.0000  277.730   19.356  ?   ?   282.269   9.9077 0.000000 9.907712 
1 1 1  -17   43   10 o  319.924   6.1301  355.344   13.574  343.634   18.024  370.687   20.631  314.188   8.2886  326.114   9.1406 -11.92554 12.33903 
1 1 1  -17   43   11 o   48.769   19.356   4.9207   9.7447   8.7033   12.750  -0.3915   15.110   58.140   22.412   52.547   22.704 5.592335 31.90209 
1 1 1  -17   43   12 o   27.972   13.936 -27.0349   10.770 -23.4261   11.942 -42.7610   24.930   31.900   15.667   47.089   23.023 -15.18870 27.84813 
1 1 1  -17   43   13 f  184.854   8.5731  119.477   10.968  113.052   14.877  127.127   16.234  178.521   12.113  189.219   12.466 -10.69861 17.38168 
1 1 1  -17   43   14 o   58.771   21.837   10.767   11.849   25.210   22.319   5.0993   13.982   82.746   30.100   54.901   22.670 27.84453 37.68265 
1 1 1  -17   43   15 o   78.240   20.204   23.781   11.016   2.4548   15.016   48.639   16.212   53.381   22.842  111.794   21.735 -58.41238 31.53029 
1 1 1  -17   45    1 o  242.229   7.9204  203.551   13.278  184.878   27.224  209.380   15.211  229.162   17.292  245.589   8.9487 -16.42752 19.47007 
1 1 1  -17   45    2 f  355.452   8.3807  438.485   20.617   0.0000   0.0000  438.485   20.617  ?   ?   355.452   8.3807 0.000000 8.380656 
1 1 1  -17   45    3 o  373.611   5.6798  483.721   14.687  464.811   20.248  504.716   21.335  365.985   7.9935  381.360   8.0833 -15.37491 11.36821 
1 1 1  -17   45    4 o  128.074   11.207   57.526   9.8336   65.965   13.275   47.264   14.639  136.697   14.240  114.415   19.164 22.28117 23.87542 
1 1 1  -17   45    5 o   61.882   19.726   13.284   9.5225   22.677   12.517   0.3786   14.672   78.826   22.069   53.160   22.658 25.66603 31.62967 
1 1 1  -17   45    6 o   69.559   19.307   17.615   9.6236   5.1980   12.699   34.364   14.749   54.559   21.946   96.404   22.513 -41.84430 31.44000 
1 1 1  -17   45    7 o  146.003   11.534   74.855   11.560   75.600   13.947   73.220   20.662  146.247   13.948  141.824   21.743 4.423431 25.83237 
1 1 1  -17   45    8 o  145.364   15.163   75.123   15.030   51.024   21.707   97.317   20.832  116.078   27.450  164.643   18.608 -48.56421 33.16286 
1 1 1  -17   45    9 o  141.506   11.987   70.616   11.629   56.145   14.033  102.341   20.778  124.901   16.648  168.778   18.068 -43.87716 24.56822 
1 1 1  -17   45   10 o  179.302   8.4680  112.033   10.509  103.509   13.766  123.938   16.269  171.430   11.672  187.392   12.617 -15.96141 17.18757 
1 1 1  -17   45   11 o  184.985   8.6066  119.415   11.019  131.990   14.655  103.058   16.714  193.678   10.978  170.035   14.336 23.64264 18.05645 
1 1 1  -17   45   12 o  114.178   12.913   46.657   10.025   59.936   13.733   31.508   14.668  128.639   15.754   90.535   23.279 38.10379 28.10856 
1 1 1  -17   45   13 o   47.701   19.279   4.3313   9.8510   4.1792   13.801   4.4893   14.066   53.884   22.409   54.585   22.655 -0.7002907 31.86547 
1 1 1  -17   45   14 o   91.472   16.401   31.189   10.002   24.666   13.881   38.231   14.423   79.379   23.561   99.257   21.609 -19.87762 31.96998 
1 1 1  -17   47    1 o  266.247   7.3122  245.946   13.474  216.781   26.266  256.363   15.697  248.411   15.353  271.720   8.3470 -23.30902 17.47491 
1 1 1  -17   47    2 o   89.312   17.355   28.942   10.341   29.200   15.334   28.726   14.006   89.088   24.229   88.327   22.767 0.7604904 33.24712 
1 1 1  -17   47    3 o  157.286   9.3137   86.296   10.094   68.578   13.963  105.690   14.608  139.238   14.712  173.661   12.232 -34.42355 19.13269 
1 1 1  -17   47    4 o  244.362   6.7495  207.167   11.415  199.880   15.464  215.892   16.921  239.750   9.3195  249.102   9.8146 -9.351990 13.53435 
1 1 1  -17   47    5 o  278.064   7.2863  268.434   14.023  267.417   16.423  271.171   26.941  277.368   8.5547  277.921   14.052 -0.5529175 16.45088 
1 1 1  -17   47    6 o  264.313   6.5612  242.460   12.003  254.849   16.278  227.696   17.769  270.689   8.6886  255.646   10.042 15.04291 13.27944 
1 1 1  -17   47    7 o  133.623   11.030   62.764   10.110   53.166   13.472   75.136   15.296  121.698   16.413  145.283   15.449 -23.58437 22.54028 
1 1 1  -17   47    8 o  136.118   11.958   65.371   11.151   57.485   13.418   82.976   20.048  126.689   15.635  151.278   19.610 -24.58859 25.07952 
1 1 1  -17   47    9 o  136.165   15.669   66.471   14.497   67.854   20.277   65.024   20.735  135.251   22.449  131.905   23.578 3.345535 32.55596 
1 1 1  -17   47   10 o  112.165   14.049   45.128   10.667   52.123   12.782   29.083   19.359  120.157   15.750   87.963   28.134 32.19400 32.24259 
1 1 1  -17   47   11 o  157.455   9.9230   87.201   10.758   99.650   13.904   68.628   16.983  167.738   12.057  136.844   18.398 30.89432 21.99639 
1 1 1  -17   47   12 o   66.910   19.383   16.759   9.4944   6.5611   13.205   27.675   13.661   55.620   22.376   84.726   22.797 -29.10595 31.94354 
1 1 1  -17   47   13 o   60.036   22.111   11.584   12.097   20.761   22.954   8.0556   14.234   78.579   30.126   58.224   23.300 20.35532 38.08466 
1 1 1  -17   47   14 o   78.869   18.411   23.879   9.8668   23.977   13.562   23.768   14.382   77.887   23.327   77.561   24.179 0.3261185 33.59738 
1 1 1  -17   49    1 o  249.326   8.1748  215.955   14.107  212.488   25.691  217.452   16.879  245.706   15.182  249.984   9.7555 -4.276993 18.04593 
1 1 1  -17   49    2 o   57.298   19.254   10.941   9.0191   13.593   12.090   7.6129   13.543   64.530   22.281   58.567   22.952 5.963608 31.98754 
1 1 1  -17   49    3 o  136.824   11.360   65.742   10.661   65.463   16.428   65.945   14.012  135.064   18.024  136.281   15.110 -1.216873 23.51937 
1 1 1  -17   49    4 o  134.702   12.514   63.968   11.533   65.773   13.671   59.512   21.477  136.128   14.746  126.429   25.425 9.698349 29.39238 
1 1 1  -17   49    5 o  152.842   9.5703   81.681   10.073   84.685   13.403   77.783   15.268  155.064   12.598  147.990   15.119 7.073959 19.67946 
1 1 1  -17   49    6 o  119.276   11.877   50.249   9.6742   49.982   12.820   50.603   14.744  117.968   16.123  118.008   18.674 -0.3949738E-01 24.67129 
1 1 1  -17   49    7 o  192.670   12.098  130.574   16.050   0.0000   0.0000  130.574   16.050  ?   ?   192.670   12.098 0.000000 12.09762 
1 1 1  -17   49    8 o   62.610   20.034   13.889   9.8157   13.245   12.976   14.750   15.008   64.321   23.010   68.200   24.702 -3.879349 33.75869 
1 1 1  -17   49    9 o  168.219   10.633   99.514   12.316   90.860   14.196  125.854   24.767  160.093   12.922  185.980   19.533 -25.88718 23.42030 
1 1 1  -17   49   10 o  101.912   18.486   38.480   12.559   38.480   12.559   0.0000   0.0000  101.912   18.486  ?   ?  0.000000 18.48641 
1 1 1  -17   49   11 o   45.072   19.181   0.9605   10.484   2.6946   12.649  -2.8459   18.740   50.747   21.304   55.690   24.637 -4.943375 32.57111 
1 1 1  -17   49   12 o  131.316   11.813   61.503   10.622   77.568   15.034   45.492   15.008  146.318   15.061  109.432   20.571 36.88543 25.49496 
1 1 1  -17   49   13 o  103.299   14.794   39.178   10.275   32.791   14.406   45.789   14.658   91.102   22.879  109.413   20.098 -18.31042 30.45283 
1 1 1  -17   51    1 o   41.202   17.552   0.1655   8.7964   0.9119   11.546  -0.8669   13.580   47.751   20.217   49.877   21.537 -2.125889 29.53899 
1 1 1  -17   51    2 f  259.823   6.4606  234.302   11.618  225.585   15.702  244.847   17.270  254.608   8.9105  265.171   9.4101 -10.56271 12.95944 
1 1 1  -17   51    3 o  161.016   9.0127   90.529   10.004   78.375   13.434  105.657   14.988  148.993   13.163  173.293   12.582 -24.29973 18.20886 
1 1 1  -17   51    4 o  236.696   7.8230  194.795   12.816  190.829   19.682  197.713   16.886  233.173   12.238  238.062   10.248 -4.889359 15.96275 
1 1 1  -17   51    5 o   34.736   16.091  -7.4815   9.1836 -27.3535   12.236   18.156   13.898   31.105   15.386   72.075   23.894 -40.97014 28.41917 
1 1 1  -17   51    6 o  294.340   7.5004  301.327   15.280  272.537   26.181  316.199   18.817  278.331   13.591  301.177   9.0270 -22.84546 16.31546 
1 1 1  -17   51    7 f  102.789   15.608   38.224   10.755   44.789   12.798   22.444   19.843  110.959   17.223   80.822   28.503 30.13651 33.30289 
1 1 1  -17   51    8 o  147.824   10.098   76.812   10.270   63.061   13.484   95.811   15.849  132.592   14.954  164.043   14.096 -31.45032 20.55072 
1 1 1  -17   51    9 o  237.487   6.9154  196.331   11.367  182.051   15.158  214.675   17.181  228.065   9.6032  247.532   10.028 -19.46721 13.88497 
1 1 1  -17   51   10 o   34.900   16.275  -8.3674   9.6423   11.000   12.766 -34.0958   14.713   60.463   22.627   33.334   16.555 27.12899 28.03635 
1 1 1  -17   51   11 o  141.037   11.984   70.884   11.587   71.386   14.371   69.951   19.590  140.404   15.022  135.927   21.542 4.477600 26.26213 
1 1 1  -17   51   12 o   55.350   22.396   6.6756   13.310   25.971   19.328 -10.7268   18.355   81.825   28.176   49.494   22.864 32.33162 36.28518 
1 1 1  -17   53    1 o  288.885   6.1742  289.686   12.345  266.399   16.629  318.272   18.424  276.616   8.6860  302.325   8.8052 -25.70871 12.36846 
1 1 1  -17   53    2 o  210.197   7.3045  153.568   10.627  130.691   14.097  183.679   16.173  193.165   10.584  229.410   10.186 -36.24483 14.68958 
1 1 1  -17   53    3 o   77.790   19.550   22.442   10.513   23.946   11.994   17.454   21.842   80.223   21.260   77.656   29.479 2.567009 36.34545 
1 1 1  -17   53    4 o  245.650   6.7712  209.683   11.512  183.952   15.583  240.605   17.082  229.570   9.8072  262.643   9.3973 -33.07356 13.58276 
1 1 1  -17   53    5 o  298.883   7.0693  310.614   14.624  332.927   23.755  296.998   18.556  308.348   11.131  291.780   9.1889 16.56812 14.43375 
1 1 1  -17   53    6 o   74.289   24.193   19.884   14.271   0.0000   0.0000   19.884   14.271  ?   ?    74.289   24.193 0.000000 24.19316 
1 1 1  -17   53    7 o   76.051   17.834   21.522   9.2245   19.971   11.789   23.971   14.815   73.299   21.703   80.038   24.473 -6.738823 32.70980 
1 1 1  -17   53    8 o  172.563   13.684  106.077   16.209   0.0000   0.0000  106.077   16.209  ?   ?   172.563   13.684 0.000000 13.68351 
1 1 1  -17   53    9 o   99.208   17.186   36.352   11.373   30.403   13.102   54.537   22.907   89.233   21.474  116.946   28.550 -27.71370 35.72499 
1 1 1  -17   53   10 o   33.175   15.726 -10.8519   9.6764 -11.5017   13.119 -10.0764   14.331   40.211   18.827   43.420   20.109 -3.208809 27.54678 
1 1 1  -17   53   11 o   40.576   18.411  -5.1668   11.207   9.7951   19.836 -12.1819   13.582   66.048   27.107   40.521   19.031 25.52696 33.12054 
1 1 1  -17   53   12 o   41.522   18.545  -2.9362   10.877  -1.6641   13.478  -5.3122   18.420   47.365   20.927   52.410   23.708 -5.044838 31.62352 
1 1 1  -17   55    1 o   86.963   17.609   27.833   10.235   41.986   12.410  -2.2722   18.100  107.419   17.278   55.991   24.511 51.42721 29.98816 
1 1 1  -17   55    2 o   39.260   17.241  -1.9304   9.0185  -4.2119   11.929   1.1131   13.778   43.517   19.430   51.698   21.994 -8.180672 29.34745 
1 1 1  -17   55    3 o  210.141   7.3758  153.639   10.727  163.100   14.566  142.423   15.859  216.086   9.7393  201.261   11.432 14.82520 15.01814 
1 1 1  -17   55    4 o   97.286   14.543   34.153   9.4919   41.894   12.894   24.998   14.024  106.907   18.071   81.605   23.533 25.30150 29.67104 
1 1 1  -17   55    5 o   63.082   21.697   13.507   11.460   4.0946   21.370   17.307   13.577   64.958   27.503   70.155   23.623 -5.196442 36.25571 
1 1 1  -17   55    6 o  121.374   13.769   52.746   11.362   54.195   17.466   51.683   14.959  120.224   21.793  118.445   18.882 1.779198 28.83504 
1 1 1  -17   55    7 o   33.056   15.586  -9.7612   9.2710 -13.9554   12.060  -3.7025   14.495   36.770   17.467   48.459   21.542 -11.68881 27.73378 
1 1 1  -17   55    8 o  107.852   13.527   41.890   9.8753   40.407   12.589   44.263   15.923  104.357   18.085  107.744   22.094 -3.386520 28.55184 
1 1 1  -17   55    9 o   63.083   20.140   14.565   9.9240   21.044   13.318   6.4742   14.882   74.523   23.273   57.667   23.551 16.85555 33.11028 
1 1 1  -17   55   10 o   59.960   20.407   12.752   10.133   4.8747   13.688   22.304   15.073   54.090   22.391   76.297   24.864 -22.20680 33.46017 
1 1 1  -17   55   11 o  150.180   10.782   80.329   11.133  112.182   15.849   49.309   15.641  176.485   13.068  113.016   20.761 63.46901 24.53171 
1 1 1  -17   57    1 o  109.725   12.560   42.899   9.3664   43.134   12.265   42.572   14.508  108.826   16.827  106.962   20.341 1.863930 26.39860 
1 1 1  -17   57    2 o  126.202   14.804   57.162   12.685   57.162   12.685   0.0000   0.0000  126.202   14.804  ?   ?  0.000000 14.80399 
1 1 1  -17   57    3 o   57.683   19.324   11.453   9.0848   1.0055   12.082   25.044   13.780   48.386   20.591   81.432   23.282 -33.04596 31.08104 
1 1 1  -17   57    4 o  150.926   9.6395   80.016   10.017   57.033   13.499  108.180   14.943  125.593   15.884  174.781   12.434 -49.18860 20.17188 
1 1 1  -17   57    5 o  148.892   9.8758   77.992   10.119   90.842   13.894   63.475   14.767  159.937   12.655  132.262   16.490 27.67493 20.78655 
1 1 1  -17   57    6 f   55.257   19.875   9.7258   9.6931   32.614   13.041 -18.5265   14.489   92.729   20.829   39.186   18.761 53.54293 28.03263 
1 1 1  -17   57    7 o   46.589   19.524   2.2075   10.592   2.9902   15.994   1.5960   14.136   56.132   23.781   52.069   22.218 4.062523 32.54514 
1 1 1  -17   57    8 f   52.584   19.845   7.9753   9.8623   9.3157   13.109   6.2275   14.970   58.456   22.671   57.484   23.565 0.9715805 32.70028 
1 1 1  -17   57    9 o  102.735   14.803   38.649   10.222   26.673   13.753   53.431   15.279   82.503   23.145  119.144   19.180 -36.64067 30.05873 
1 1 1  -17   57   10 o   38.274   17.782  -8.3836   11.340  -4.7849   18.994 -10.3769   14.136   53.650   24.190   42.414   19.754 11.23659 31.23109 
1 1 1  -17   59    1 o   82.572   18.699   25.530   10.438   16.483   11.751   59.366   22.724   67.579   21.951  123.278   27.349 -55.69861 35.06835 
1 1 1  -17   59    2 o  178.060   8.3698  110.701   10.315  123.374   13.644   93.799   15.758  187.197   10.574  161.990   14.198 25.20680 17.70320 
1 1 1  -17   59    3 o   97.564   14.463   34.512   9.4706   35.331   12.235   33.289   14.959   97.328   18.844   93.075   23.280 4.253334 29.95116 
1 1 1  -17   59    4 o  112.488   19.430   47.156   14.580   0.0000   0.0000   47.156   14.580  ?   ?   112.488   19.430 0.000000 19.43031 
1 1 1  -17   59    5 o   66.008   19.454   16.240   9.4907   6.5243   12.744   28.336   14.220   54.965   22.029   85.677   23.345 -30.71188 32.09785 
1 1 1  -17   59    6 o   39.189   17.409  -2.6331   9.4515   3.1845   13.064  -9.0218   13.691   51.763   21.687   42.919   19.798 8.844650 29.36503 
1 1 1  -17   59    7 o  163.111   10.953   94.326   12.293   87.809   14.366  112.146   23.756  156.422   13.399  173.241   20.191 -16.81920 24.23265 
1 1 1  -17   59    8 o   62.234   21.236   13.889   10.974   30.307   17.884   3.9750   13.897   86.933   26.940   53.398   22.370 33.53504 35.01695 
1 1 1  -17   59    9 o   32.731   15.599 -11.5336   9.7747 -18.8609   13.611  -3.7304   14.046   36.818   17.767   46.732   20.959 -9.913452 27.47627 
1 1 1  -17   61    1 o   98.813   14.513   35.482   9.6298   33.957   12.464   37.740   15.168   94.911   19.622   99.076   22.618 -4.164993 29.94308 
1 1 1  -17   61    2 o  220.069   7.2998  168.908   11.119  159.668   14.661  181.416   17.057  213.261   9.9330  227.006   10.857 -13.74516 14.71501 
1 1 1  -17   61    3 o   36.024   17.173 -14.3053   11.864 -29.0927   20.047  -6.3345   14.718   44.102   21.352   46.673   21.146 -2.571239 30.05056 
1 1 1  -17   61    4 o   55.830   19.698   10.380   9.4775   5.7264   12.622   16.396   14.350   53.731   21.785   68.548   24.232 -14.81701 32.58552 
1 1 1  -17   61    5 o  108.610   12.834   42.470   9.4608   49.899   13.451   35.196   13.309  116.165   17.255   95.905   20.661 20.26031 26.91830 
1 1 1  -17   61    6 f   59.422   19.741   12.699   9.4843   4.9975   13.214   20.882   13.621   53.530   22.065   73.950   23.594 -20.42039 32.30370 
1 1 1  -17   61    7 o   78.598   18.283   23.598   9.7583   32.262   13.269   13.394   14.400   90.905   21.439   64.090   24.023 26.81525 32.19798 
1 1 1  -17   63    1 o  114.785   16.159   48.374   12.482   56.829   22.059   44.392   15.139  118.976   27.359  107.822   21.042 11.15438 34.51492 
1 1 1  -17   63    2 o  170.268   9.1298  102.025   10.720  108.549   14.401   93.919   16.053  174.609   11.990  161.289   14.536 13.31937 18.84295 
1 1 1  -17   63    3 o   90.389   16.608   30.440   10.007   38.675   13.437   20.184   14.996  100.777   19.971   73.522   24.826 27.25499 31.86181 
1 1 1  -17   63    4 o  127.677   12.540   58.544   10.938   52.380   13.193   72.098   19.563  119.164   16.433  137.555   21.232 -18.39111 26.84899 
1 1 1  -17   63    5 o  124.095   11.314   55.041   9.6104   65.526   13.232   43.335   13.982  134.199   14.475  106.584   19.678 27.61523 24.42879 
1 1 1  -17   63    6 f   71.655   20.637   19.931   10.791   18.040   12.831   24.498   19.944   68.985   22.963   79.565   28.520 -10.58002 36.61574 
1 1 1  -17   65    1 o   66.317   21.786   16.423   11.563   12.973   13.336   26.868   23.206   62.646   23.189   83.641   30.652 -20.99478 38.43590 
1 1 1  -17   65    2 o   94.830   22.733   35.526   14.726   0.0000   0.0000   35.526   14.726  ?   ?    94.830   22.733 0.000000 22.73285 
1 1 1  -17   65    3 o   39.016   17.389  -2.6007   9.5075  -0.6104   12.773  -5.0734   14.237   47.129   20.612   46.117   20.854 1.011585 29.32133 
1 1 1  -16    0    1 f   57.167   24.001   15.998   9.5459   15.998   9.5459   15.998   9.5459   57.167   24.001   57.167   24.001 0.000000 0.000000 
1 1 1  -16    0    2 o  117.927   12.880   49.858   10.194   49.858   10.194   49.858   10.194  117.927   12.880  117.927   12.880 0.000000 0.000000 
1 1 1  -16    0    3 o  406.119   7.0776  571.410   19.880  571.410   19.880  571.410   19.880  406.119   7.0776  406.119   7.0776 0.000000 0.000000 
1 1 1  -16    0    4 o  496.359   7.4654  853.359   25.633  853.359   25.633  853.359   25.633  496.359   7.4654  496.359   7.4654 0.000000 0.000000 
1 1 1  -16    0    5 o  271.341   8.4736  255.595   15.878  255.595   15.878  255.595   15.878  271.341   8.4736  271.341   8.4736 0.000000 0.000000 
1 1 1  -16    0    6 o  1255.47   18.012  5463.42  156.441  5463.42  156.441  5463.42  156.441  1255.47   18.012  1255.47   18.012 0.000000 0.000000 
1 1 1  -16    0    7 o  1018.00   10.852  3588.70   76.437  3588.70   76.437  3588.70   76.437  1018.00   10.852  1018.00   10.852 0.000000 0.000000 
1 1 1  -16    0    8 o  314.700   9.1723  343.675   19.940  343.675   19.940  343.675   19.940  314.700   9.1723  314.700   9.1723 0.000000 0.000000 
1 1 1  -16    0    9 o  908.924   14.280  2862.93   89.785  2862.93   89.785  2862.93   89.785  908.924   14.280  908.924   14.280 0.000000 0.000000 
1 1 1  -16    0   10 o  364.260   9.0644  460.184   22.820  460.184   22.820  460.184   22.820  364.260   9.0644  364.260   9.0644 0.000000 0.000000 
1 1 1  -16    0   11 o  145.636   27.728   81.171   25.005   81.171   25.005   81.171   25.005  145.636   27.728  145.636   27.728 0.000000 0.000000 
1 1 1  -16    0   12 o  877.935   9.9497  2670.56   60.440  2670.56   60.440  2670.56   60.440  877.935   9.9497  877.935   9.9497 0.000000 0.000000 
1 1 1  -16    0   13 o   97.728   25.705   39.392   15.022   39.392   15.022   39.392   15.022   97.728   25.705   97.728   25.705 0.000000 0.000000 
1 1 1  -16    0   14 o  540.405   11.105  1014.63   41.496  1014.63   41.496  1014.63   41.496  540.405   11.105  540.405   11.105 0.000000 0.000000 
1 1 1  -16    0   16 o  227.039   11.197  180.878   17.497  180.878   17.497  180.878   17.497  227.039   11.197  227.039   11.197 0.000000 0.000000 
1 1 1  -16    0   17 o  310.885   9.4542  337.807   20.300  337.807   20.300  337.807   20.300  310.885   9.4542  310.885   9.4542 0.000000 0.000000 
1 1 1  -16    0   18 o  226.538   22.299  192.927   34.184  192.927   34.184  192.927   34.184  226.538   22.299  226.538   22.299 0.000000 0.000000 
1 1 1  -16    0   19 o  156.325   15.775   90.739   16.670   90.739   16.670   90.739   16.670  156.325   15.775  156.325   15.775 0.000000 0.000000 
1 1 1  -16    0   20 o   29.241   20.338  -9.2256   14.618  -9.2256   14.618  -9.2256   14.618   29.241   20.338   29.241   20.338 0.000000 0.000000 
1 1 1  -16    2    1 o  253.866   5.2532  223.119   9.2301  224.913   13.189  221.397   12.922  254.829   7.4781  252.832   7.3843 1.997101 10.50946 
1 1 1  -16    2    2 o  397.425   4.9242  546.789   13.545  523.506   18.755  572.170   19.582  388.799   6.9697  406.469   6.9606 -17.67007 9.850153 
1 1 1  -16    2    3 o  530.609   5.2256  974.704   19.190  979.361   27.224  970.105   27.055  531.768   7.3971  529.249   7.3861 2.518188 10.45324 
1 1 1  -16    2    4 o  338.576   5.2656  396.838   12.339  402.865   17.485  390.859   17.415  341.078   7.4068  335.954   7.4899 5.123444 10.53370 
1 1 1  -16    2    5 o  276.950   5.9571  265.532   11.419  284.336   16.345  247.605   15.959  286.539   8.2417  267.382   8.6237 19.15707 11.92867 
1 1 1  -16    2    6 o  624.064   8.2167  1348.56   35.490  1308.78   49.337  1391.22   51.090  614.604   11.598  633.661   11.649 -19.05768 16.43867 
1 1 1  -16    2    7 o  1271.71   9.1114  5600.26   80.195  5565.85  112.826  5635.39  114.009  1267.39   12.862  1275.27   12.917 -7.885132 18.22882 
1 1 1  -16    2    8 o  528.231   5.7044  965.824   20.855  969.019   29.682  962.710   29.309  529.040   8.1063  527.317   8.0307 1.722534 11.41069 
1 1 1  -16    2    9 f  481.607   5.8923  802.882   19.640  833.449   28.283  774.415   27.295  490.622   8.3293  472.927   8.3388 17.69507 11.78613 
1 1 1  -16    2   10 o  488.668   6.0699  826.671   20.529  845.188   29.144  808.433   28.923  494.023   8.5236  483.157   8.6492 10.86621 12.14333 
1 1 1  -16    2   11 o  200.634   11.361  139.972   15.711  176.927   25.548  117.497   19.924  225.128   16.512  183.295   15.862 41.83354 22.89608 
1 1 1  -16    2   12 o  462.006   5.8378  739.059   18.667  725.139   26.287  753.220   26.513  457.506   8.3016  466.286   8.2155 -8.779633 11.67950 
1 1 1  -16    2   13 o  264.194   7.2875  241.828   13.325  248.709   18.759  234.819   18.932  267.780   10.122  260.171   10.514 7.608124 14.59426 
1 1 1  -16    2   14 o  177.691   10.378  110.035   12.707  122.483   16.372   91.171   20.154  187.194   12.712  160.357   18.498 26.83669 22.44479 
1 1 1  -16    2   15 o  367.944   6.8736  469.579   17.504  482.829   28.405  461.467   22.226  372.428   11.020  364.483   8.8106 7.944885 14.10900 
1 1 1  -16    2   16 o   72.788   19.725   19.429   10.184   26.671   14.288   11.949   14.520   84.929   23.508   64.861   24.160 20.06792 33.70944 
1 1 1  -16    2   17 o  142.829   11.251   71.795   11.032   70.896   15.999   72.609   15.232  140.510   16.784  142.535   15.701 -2.025070 22.98263 
1 1 1  -16    2   18 o   39.362   17.909  -5.9255   10.697   7.0517   14.648 -20.7567   15.659   58.687   23.583   40.505   19.422 18.18147 30.55095 
1 1 1  -16    2   19 o  158.489   10.808   88.776   11.784   84.693   16.150   93.424   17.234  153.135   15.449  160.800   15.685 -7.665833 22.01591 
1 1 1  -16    2   20 o   54.071   23.828  -1.2800   17.362   0.0000   0.0000  -1.2800   17.362  ?   ?    54.071   23.828 0.000000 23.82824 
1 1 1  -16    4    1 o  146.711   7.2922   74.546   7.4045   84.186   10.517   65.073   10.426  155.548   9.8197  136.547   11.129 19.00082 14.84219 
1 1 1  -16    4    2 o   88.578   11.957   27.703   7.1430   35.292   10.021   19.865   10.184   99.719   14.984   74.219   19.552 25.49947 24.63342 
1 1 1  -16    4    3 o  415.350   5.0587  597.223   14.542  607.524   20.665  587.117   20.468  418.841   7.1288  411.744   7.1824 7.096893 10.11960 
1 1 1  -16    4    4 o  342.942   5.3148  407.138   12.615  395.594   17.530  419.538   18.168  337.986   7.4937  348.063   7.5418 -10.07706 10.63177 
1 1 1  -16    4    5 o  256.724   7.0048  228.194   12.446  222.230   15.129  240.683   21.893  253.313   8.6294  263.525   12.003 -10.21147 14.78333 
1 1 1  -16    4    6 o  1000.59   7.5407  3466.43   52.221  3480.60   74.121  3452.47   73.586  1002.38   10.684  998.322   10.650 4.056091 15.08541 
1 1 1  -16    4    7 o  1313.78   10.807  5978.37   98.264  6165.85  176.049  5893.53  118.428  1332.94   19.083  1304.14   13.121 28.79822 23.15840 
1 1 1  -16    4    8 o  402.854   8.3522  561.907   23.288  561.907   23.288   0.0000   0.0000  402.854   8.3522  ?   ?  0.000000 8.352213 
1 1 1  -16    4    9 f  929.838   7.3073  2993.27   47.026  3023.29   67.060  2964.24   65.964  934.285   10.371  925.122   10.302 9.163574 14.61799 
1 1 1  -16    4   10 o  407.529   7.1752  575.027   20.238  574.634   33.248  575.258   25.508  407.212   11.797  407.549   9.0433 -0.3377380 14.86428 
1 1 1  -16    4   11 o  539.499   5.9976  1007.69   22.395  1043.90   45.844  996.340   25.666  548.725   12.071  536.412   6.9132 12.31317 13.91065 
1 1 1  -16    4   12 o  112.513   17.407   45.045   13.117   40.561   26.442   46.508   15.107  107.102   32.685  113.940   19.881 -6.837334 38.25630 
1 1 1  -16    4   13 o  214.127   8.9696  158.958   13.293  164.438   17.263  150.976   20.835  217.357   11.516  207.868   14.574 9.488052 18.57530 
1 1 1  -16    4   14 o   72.122   20.008   18.794   10.338   16.520   14.606   21.076   14.634   71.354   24.498   77.616   24.422 -6.262047 34.59134 
1 1 1  -16    4   15 o  271.997   7.8892  256.806   14.852  237.707   22.503  271.546   19.769  261.093   12.453  279.404   10.223 -18.31155 16.11139 
1 1 1  -16    4   16 o   96.260   16.226   33.472   10.425   12.081   14.295   57.780   15.238   64.748   24.000  126.714   17.872 -61.96528 29.92327 
1 1 1  -16    4   17 o  181.170   11.947  115.478   14.896  120.430   16.940   98.585   31.286  184.663   13.344  160.938   29.161 23.72583 32.06913 
1 1 1  -16    4   18 o   92.344   17.341   31.411   10.676   34.696   15.115   28.140   15.083   95.496   23.116   86.039   24.273 9.456970 33.51962 
1 1 1  -16    4   19 o   78.415   24.169   23.378   14.416   33.322   30.722   20.571   16.325   94.568   35.159   75.323   25.897 19.24464 43.66640 
1 1 1  -16    4   20 f   83.176   19.968   26.656   11.349   27.737   16.678   25.725   15.489   83.591   26.034   80.853   25.074 2.738129 36.14529 
1 1 1  -16    6    1 o  635.556   5.5575  1398.50   24.446  1319.23   33.050  1494.27   36.326  617.143   7.7375  656.790   7.9912 -39.64771 11.12334 
1 1 1  -16    6    2 o  452.461   4.9731  708.716   15.573  680.906   21.491  739.468   22.599  443.414   7.0027  462.086   7.0663 -18.67169 9.948413 
1 1 1  -16    6    3 o  627.215   5.5965  1361.98   24.295  1390.78   34.800  1334.59   33.932  633.672   7.9349  620.742   7.8981 12.92969 11.19567 
1 1 1  -16    6    4 o  1017.71   7.5726  3586.64   53.339  3517.09   73.989  3661.90   76.965  1007.46   10.611  1027.96   10.818 -20.50330 15.15325 
1 1 1  -16    6    5 o  342.973   6.2397  407.229   14.812  411.577   18.141  398.537   25.651  344.766   7.6028  339.154   10.928 5.611664 13.31243 
1 1 1  -16    6    6 o  1328.53   9.4215  6112.63   86.631  6155.80  123.439  6070.72  121.610  1332.69   13.383  1323.46   13.276 9.224609 18.85102 
1 1 1  -16    6    7 o  273.458   7.6725  258.894   14.521  291.073   26.381  244.906   17.393  289.829   13.151  265.937   9.4499 23.89230 16.19442 
1 1 1  -16    6    8 o   91.242   17.558   29.850   10.686   46.144   15.149   13.715   15.075  113.649   19.989   68.789   24.781 44.85989 31.83788 
1 1 1  -16    6    9 o  385.018   5.7746  513.131   15.388  520.976   30.490  510.450   17.825  387.799   11.360  383.993   6.7068 3.806274 13.19191 
1 1 1  -16    6   10 o  599.497   8.6115  1244.66   35.731  1269.27   49.359  1217.56   51.792  605.195   11.784  592.678   12.626 12.51752 17.27066 
1 1 1  -16    6   11 o  115.874   14.619   47.327   11.463   37.659   23.859   50.228   13.071  103.163   30.951  119.180   16.271 -16.01797 34.96696 
1 1 1  -16    6   12 o  546.334   12.528  1035.61   47.373  1035.61   47.373   0.0000   0.0000  546.334   12.528  ?   ?  0.000000 12.52848 
1 1 1  -16    6   13 o  459.732   6.6112  732.150   21.036  731.244   26.613  733.659   34.342  459.306   8.3717  459.816   10.791 -0.5093079 13.65762 
1 1 1  -16    6   14 o  439.185   6.0637  668.355   18.432  695.206   25.979  641.142   26.154  447.654   8.3851  429.843   8.7912 17.81161 12.14893 
1 1 1  -16    6   15 o  201.674   8.3630  141.245   11.673  147.095   16.172  134.882   16.866  205.184   11.434  196.272   12.481 8.912613 16.92627 
1 1 1  -16    6   16 o  105.572   15.839   40.043   11.216   42.512   16.812   38.063   15.057  106.947   23.367  101.377   22.084 5.570313 32.15148 
1 1 1  -16    6   17 o   95.423   16.451   33.113   10.473   44.140   15.168   23.068   14.477  109.225   20.825   79.207   24.188 30.01741 31.91760 
1 1 1  -16    6   18 o   99.656   15.670   36.109   10.452   37.669   14.906   34.599   14.658   99.797   22.159   95.475   22.544 4.321884 31.61034 
1 1 1  -16    6   19 f   62.632   26.004   6.5805   18.541   0.0000   0.0000   6.5805   18.541  ?   ?    62.632   26.004 0.000000 26.00403 
1 1 1  -16    6   20 o  132.231   12.818   62.923   11.584   46.254   17.177   76.828   15.688  108.326   23.580  144.807   15.916 -36.48119 28.44894 
1 1 1  -16    8    1 o  333.733   7.1802  385.732   16.585   0.0000   0.0000  385.732   16.585  ?   ?   333.733   7.1802 0.000000 7.180205 
1 1 1  -16    8    2 o  369.089   5.0252  471.594   12.837  429.850   17.588  519.176   18.778  352.306   7.2132  387.194   7.0072 -34.88763 10.05638 
1 1 1  -16    8    3 o  534.629   5.2759  989.492   19.522  981.273   27.452  997.902   27.768  532.307   7.4513  536.797   7.4741 -4.490295 10.55385 
1 1 1  -16    8    4 o  602.117   5.5853  1255.05   23.276  1208.31   32.031  1307.36   33.881  590.696   7.8348  614.423   7.9672 -23.72736 11.17409 
1 1 1  -16    8    5 o  1167.44   8.4641  4719.73   68.390  4674.70   95.662  4766.81   97.809  1161.46   11.900  1172.82   12.050 -11.36658 16.93539 
1 1 1  -16    8    6 o  595.863   6.6271  1229.14   27.330  1205.37   47.493  1240.91   33.418  589.845   11.634  598.656   8.0655 -8.810730 14.15593 
1 1 1  -16    8    7 o  1456.51   11.826  7349.02  119.210  7419.51  209.667  7315.34  144.911  1461.90   20.722  1452.80   14.412 9.094727 25.24110 
1 1 1  -16    8    8 o  661.372   6.0537  1514.10   27.711  1538.63   39.854  1491.15   38.555  666.613   8.6383  656.254   8.4885 10.35901 12.11093 
1 1 1  -16    8    9 o  306.622   7.4519  325.504   15.814  330.976   26.172  322.358   19.847  309.067   12.235  305.095   9.3991 3.971893 15.42842 
1 1 1  -16    8   10 o  448.642   6.9696  696.896   21.641  720.488   36.070  683.627   27.052  455.976   11.429  444.283   8.7974 11.69308 14.42307 
1 1 1  -16    8   11 o  446.963   6.1457  691.684   19.012  677.561   37.214  696.672   22.115  442.052   12.163  448.533   7.1240 -6.480652 14.09611 
1 1 1  -16    8   12 f  251.780   8.2848  219.634   14.437  170.732   29.002  235.744   16.646  220.603   19.186  260.814   9.2216 -40.21040 21.28726 
1 1 1  -16    8   13 o  160.627   12.594   90.176   13.889  127.902   27.815   77.646   16.030  190.005   21.532  148.510   15.840 41.49431 26.73037 
1 1 1  -16    8   15 o  261.939   7.2928  238.088   13.221  223.415   18.139  254.719   19.311  253.389   10.343  270.564   10.313 -17.17450 14.60566 
1 1 1  -16    8   16 o   81.487   24.074   24.344   14.518   23.922   16.413   25.863   31.124   81.591   25.886   92.974   35.215 -11.38331 43.70522 
1 1 1  -16    8   17 o  111.472   14.310   44.468   10.785   55.174   15.461   34.320   15.052  123.070   18.744   95.515   23.036 27.55533 29.69834 
1 1 1  -16    8   18 o   62.556   20.651   13.768   10.385   35.748   14.900  -6.9946   14.482   97.001   22.611   46.155   20.937 50.84654 30.81575 
1 1 1  -16    8   19 o   34.574   16.301 -10.4391   10.139   9.0374   13.447 -36.1008   15.435   58.728   22.910   33.952   16.877 24.77625 28.45537 
1 1 1  -16    8   20 o   86.735   22.404   29.584   13.544 -31.8585   28.467   47.563   15.398   53.973   25.959  111.272   20.758 -57.29907 33.23828 
1 1 1  -16   10    1 o  306.502   5.1075  325.220   10.835  306.948   14.985  345.237   15.684  297.710   7.2726  315.735   7.1772 -18.02567 10.21775 
1 1 1  -16   10    2 o   72.358   15.755   18.885   7.6661   19.489   10.587   18.219   11.115   73.685   20.171   71.739   21.027 1.945854 29.13756 
1 1 1  -16   10    3 o  761.968   6.1932  2010.12   32.661  1985.33   45.614  2036.20   46.787  757.082   8.7053  766.711   8.8168 -9.629272 12.39025 
1 1 1  -16   10    4 o  944.824   8.2848  3091.48   54.176  3028.24   65.086  3234.15   97.754  934.948   10.058  965.631   14.627 -30.68298 17.75131 
1 1 1  -16   10    5 o  587.390   5.6150  1194.34   22.827  1162.10   31.562  1229.70   33.055  579.326   7.8716  595.932   8.0143 -16.60565 11.23350 
1 1 1  -16   10    6 o  873.276   7.9745  2640.43   48.199  2735.02   60.837  2480.98   78.990  888.657   9.8914  846.091   13.489 42.56598 16.72691 
1 1 1  -16   10    7 o  628.859   6.8430  1369.00   29.783  1435.12   54.718  1341.16   35.504  643.620   12.284  622.384   8.2421 21.23572 14.79248 
1 1 1  -16   10    8 o  1131.90   9.5853  4436.74   75.091   0.0000   0.0000  4436.74   75.091  ?   ?   1131.90   9.5853 0.000000 9.585256 
1 1 1  -16   10    9 o  258.718   8.2373  231.770   14.750  205.854   24.009  247.482   18.694  243.259   14.323  267.304   10.104 -24.04472 17.52877 
1 1 1  -16   10   10 o  240.811   7.7299  200.810   12.883  198.439   25.171  201.652   14.997  238.669   15.319  241.288   8.9801 -2.618713 17.75675 
1 1 1  -16   10   11 o  203.657   14.175  144.621   19.856  153.171   26.057  132.781   30.664  209.129   18.184  193.791   23.331 15.33759 29.57995 
1 1 1  -16   10   12 o  103.684   19.774   38.693   13.672   59.463   26.180   30.904   16.032  127.549   30.135   92.395   24.624 35.15397 38.91615 
1 1 1  -16   10   13 o  157.369   13.200   86.683   14.244   88.390   27.349   86.047   16.686  156.442   26.184  156.433   15.621 0.8972168E-02 30.48956 
1 1 1  -16   10   14 o  127.702   12.827   57.352   11.183   54.454   15.299   60.677   16.388  123.323   18.495  130.266   18.715 -6.942596 26.31179 
1 1 1  -16   10   15 o  223.661   7.8965  173.687   12.224  192.621   17.186  154.300   17.390  235.230   10.556  210.017   12.014 25.21304 15.99241 
1 1 1  -16   10   16 o  214.506   7.9871  159.951   11.858  163.536   16.560  156.179   16.987  216.165   11.106  211.109   11.671 5.055573 16.11118 
1 1 1  -16   10   17 o   50.966   20.508   4.7564   11.093 -15.1902   16.496   21.224   14.988   45.048   21.099   76.735   24.778 -31.68691 32.54395 
1 1 1  -16   10   18 o   90.596   27.105   31.551   18.317   0.0000   0.0000   31.551   18.317  ?   ?    90.596   27.105 0.000000 27.10523 
1 1 1  -16   10   19 o   98.168   16.527   35.557   10.830   46.275   14.520   22.118   16.259  111.061   19.607   77.084   25.852 33.97713 32.44584 
1 1 1  -16   10   20 o   44.781   18.901   1.8837   10.044 -12.6114   14.205   16.371   14.202   41.301   19.419   67.636   24.086 -26.33435 30.93876 
1 1 1  -16   12    1 o  350.893   5.8771  426.282   14.273  364.732   23.745  461.102   17.860  324.406   10.576  364.905   7.0715 -40.49911 12.72204 
1 1 1  -16   12    2 o  905.810   6.9358  2841.06   43.482  2699.77   58.633  3013.71   64.816  882.759   9.5968  932.621   10.041 -49.86212 13.88992 
1 1 1  -16   12    3 o  586.529   5.4887  1190.89   22.281  1138.90   30.536  1250.09   32.584  573.491   7.6933  600.824   7.8357 -27.33344 10.98109 
1 1 1  -16   12    4 o  437.794   5.9723  663.500   18.096  639.588   22.061  712.683   31.639  429.791   7.4163  453.582   10.078 -23.79001 12.51296 
1 1 1  -16   12    5 o  1317.09   9.3537  6007.79   85.267  5842.41  117.101  6194.43  124.400  1298.37   13.031  1336.85   13.445 -38.47839 18.72381 
1 1 1  -16   12    6 o  555.535   5.6339  1068.26   21.662  1060.32   30.644  1076.19   30.625  553.398   8.0008  557.525   7.9367 -4.127441 11.26965 
1 1 1  -16   12    7 o  434.867   6.2698  654.614   18.871   0.0000   0.0000  654.614   18.871  ?   ?   434.867   6.2698 0.000000 6.269781 
1 1 1  -16   12    8 o  230.215   10.525  183.562   16.770   0.0000   0.0000  183.562   16.770  ?   ?   230.215   10.525 0.000000 10.52510 
1 1 1  -16   12    9 o  355.525   7.0467  437.607   17.339  422.829   28.028  446.770   22.070  349.335   11.592  359.180   8.8779 -9.845032 14.60130 
1 1 1  -16   12   10 o  348.420   6.3617  420.296   15.341  379.854   29.374  435.465   17.989  330.998   12.822  354.625   7.3294 -23.62689 14.76922 
1 1 1  -16   12   11 o  189.708   9.9412  125.060   13.007  127.463   25.084  124.176   15.212  190.449   19.297  188.883   11.694 1.566864 22.56354 
1 1 1  -16   12   12 o  446.829   7.8647  691.728   24.322  735.122   40.158  666.587   30.566  460.211   12.608  438.470   10.072 21.74051 16.13700 
1 1 1  -16   12   13 o   61.396   22.406   10.770   12.381   29.688   26.514   5.4941   14.002   95.427   32.992   57.406   23.061 38.02026 40.25253 
1 1 1  -16   12   14 o  159.854   12.590   89.538   13.816  167.805   29.158   66.876   15.690  217.685   19.562  137.229   16.875 80.45583 25.83442 
1 1 1  -16   12   15 o  114.203   17.353   46.873   13.284   46.228   14.672   49.805   31.289  112.887   19.483  115.396   35.613 -2.508377 40.59383 
1 1 1  -16   12   16 o  316.875   6.5194  348.559   14.298  369.857   19.909  325.875   20.547  325.991   8.8240  305.812   9.7075 20.17896 13.11864 
1 1 1  -16   12   17 o  104.907   16.245   39.882   11.414   41.883   16.935   38.218   15.450  105.301   23.797  100.811   22.691 4.490685 32.88118 
1 1 1  -16   12   18 o  114.245   14.685   47.053   11.343   36.483   15.491   59.270   16.655   97.686   23.249  126.640   19.637 -28.95436 30.43225 
1 1 1  -16   12   19 o   44.087   18.852   0.6239   10.217  -1.3273   13.697   3.0710   15.340   48.673   21.314   55.118   23.317 -6.445309 31.59095 
1 1 1  -16   12   20 o  112.723   13.873   46.297   10.595   44.694   14.505   48.129   15.512  107.873   20.170  111.689   20.834 -3.815514 28.99747 
1 1 1  -16   14    1 o  213.892   6.1259  158.390   9.0687  147.736   12.634  169.712   13.024  206.523   8.8391  221.359   8.5013 -14.83546 12.26388 
1 1 1  -16   14    2 o  124.170   9.5507   53.725   8.1449   50.123   11.278   57.653   11.775  119.418   13.906  128.242   13.468 -8.823647 19.35862 
1 1 1  -16   14    3 o  481.487   5.9966  802.555   19.983  771.990   23.997  871.707   36.095  472.186   7.3428  501.617   10.397 -29.43103 12.72819 
1 1 1  -16   14    4 o  129.471   14.693   58.869   12.933   0.0000   0.0000   58.869   12.933  ?   ?   129.471   14.693 0.000000 14.69321 
1 1 1  -16   14    5 f  255.826   7.3676  226.586   13.045  243.766   15.963  192.049   22.633  265.325   8.6930  234.973   13.980 30.35229 16.46259 
1 1 1  -16   14    6 o  356.937   5.4270  440.987   13.407  432.585   25.642  444.147   15.728  353.414   10.483  358.199   6.3441 -4.785034 12.25337 
1 1 1  -16   14    7 o  396.916   6.5074  545.354   17.877  554.146   30.330  540.674   22.129  399.989   10.956  395.176   8.0908 4.813538 13.61946 
1 1 1  -16   14    8 o  971.257   10.562  3267.39   71.003   0.0000   0.0000  3267.39   71.003  ?   ?   971.257   10.562 0.000000 10.56241 
1 1 1  -16   14    9 o  1108.88   8.2386  4257.95   63.229  4375.12  128.734  4220.70   72.587  1122.90   16.564  1103.90   9.5007 19.00806 19.09558 
1 1 1  -16   14   10 o  518.830   6.7516  932.046   24.244  880.488   40.856  960.069   30.121  503.997   11.713  526.500   8.2659 -22.50302 14.33568 
1 1 1  -16   14   11 o  111.672   18.097   44.465   13.508   9.6439   24.473   59.722   16.199   75.949   30.496  129.736   18.571 -53.78642 35.70517 
1 1 1  -16   14   12 o  277.656   11.876  267.542   22.822  267.951   30.530  267.024   34.359  277.095   15.987  276.295   18.067 0.8004150 24.12453 
1 1 1  -16   14   13 o  422.181   6.5952  617.594   19.271  675.610   39.713  599.726   22.040  440.745   13.019  415.936   7.6560 24.80920 15.10312 
1 1 1  -16   14   14 o  166.520   12.285   97.096   14.059  110.878   28.371   92.610   16.186  175.336   24.010  162.214   14.572 13.12151 28.08612 
1 1 1  -16   14   15 o   82.078   18.420   24.681   10.207   24.260   14.243   25.125   14.634   81.529   23.776   82.896   24.079 -1.366280 33.83887 
1 1 1  -16   14   16 o  291.405   6.9041  294.928   13.924  315.792   19.584  273.599   19.802  301.070   9.3986  280.066   10.216 21.00363 13.88141 
1 1 1  -16   14   17 o  183.594   15.294  120.098   19.257   0.0000   0.0000  120.098   19.257  ?   ?   183.594   15.294 0.000000 15.29429 
1 1 1  -16   14   18 o   49.205   20.044   4.0761   10.744   6.3946   14.923   1.5809   15.481   58.153   23.648   54.466   23.246 3.686626 33.16032 
1 1 1  -16   14   19 o   95.009   16.946   33.521   10.734   18.711   14.601   50.943   15.836   71.680   24.496  116.099   20.455 -44.41856 31.91287 
1 1 1  -16   14   20 f   30.904   15.062 -17.5200   10.425 -17.2659   14.500 -17.7918   15.000   39.258   18.789   39.907   19.102 -0.6482773 26.79358 
1 1 1  -16   16    1 o  330.347   5.1504  377.756   11.776  341.083   16.194  418.905   17.154  313.854   7.4551  347.830   7.1257 -33.97537 10.31282 
1 1 1  -16   16    2 o  412.886   5.1466  590.097   14.707  565.419   20.281  617.467   21.359  404.107   7.2513  422.295   7.3077 -18.18823 10.29480 
1 1 1  -16   16    3 o  438.297   5.9078  665.009   17.921  654.896   22.205  683.903   30.352  434.912   7.3770  444.349   9.8694 -9.436798 12.32176 
1 1 1  -16   16    4 o  872.895   6.8408  2637.82   41.328  2534.43   56.462  2757.14   60.657  855.456   9.5363  892.230   9.8226 -36.77405 13.69031 
1 1 1  -16   16    5 o  921.445   7.0824  2939.38   45.168  2964.88   90.052  2930.81   52.210  924.900   14.068  920.039   8.1992 4.861023 16.28269 
1 1 1  -16   16    6 o  1055.86   7.8285  3859.68   57.208  3764.88  110.855  3894.09   66.789  1042.14   15.369  1060.47   9.0998 -18.32495 17.86102 
1 1 1  -16   16    7 o  935.984   8.3762  3033.27   54.261  2855.12   88.363  3141.11   68.751  907.651   14.066  952.340   10.431 -44.68933 17.51148 
1 1 1  -16   16    8 o  976.891   8.6652  3304.57   58.587   0.0000   0.0000  3304.57   58.587  ?   ?   976.891   8.6652 0.000000 8.665211 
1 1 1  -16   16    9 o  1149.36   8.4658  4574.91   67.344  4649.27  136.302  4550.90   77.459  1157.36   17.016  1146.20   9.7642 11.15662 19.61843 
1 1 1  -16   16   10 o  278.181   7.2022  267.974   13.867  301.561   27.667  256.707   16.024  294.850   13.558  272.234   8.5048 22.61551 16.00443 
1 1 1  -16   16   11 o  175.316   10.886  106.975   13.144   83.268   26.460  114.741   15.144  152.220   26.052  181.472   12.127 -29.25223 28.73629 
1 1 1  -16   16   12 o  315.300   7.1444  344.413   15.591  385.415   32.415  332.073   17.783  333.009   14.064  309.540   8.3004 23.46890 16.33099 
1 1 1  -16   16   13 o   89.752   20.663   29.368   12.570   23.712   25.878   31.115   14.380   89.020   32.407   92.258   22.680 -3.238541 39.55522 
1 1 1  -16   16   14 o   58.115   24.588   1.4123   17.062   10.629   26.040  -5.5208   22.585   77.419   31.326   61.505   27.137 15.91436 41.44510 
1 1 1  -16   16   15 o  185.138   25.081  125.122   31.311  125.122   31.311   0.0000   0.0000  185.138   25.081  ?   ?  0.000000 25.08121 
1 1 1  -16   16   16 o   51.535   19.979   6.2921   10.177   6.1801   14.120   6.4131   14.682   57.525   23.140   58.596   23.588 -1.071152 33.04333 
1 1 1  -16   16   17 o  144.089   11.034   73.154   10.920   67.034   15.240   79.612   15.655  136.387   16.479  149.140   15.388 -12.75317 22.54645 
1 1 1  -16   16   18 o  120.374   16.041   52.640   13.032   59.415   17.903   45.005   19.005  125.905   21.305  107.475   25.863 18.42976 33.50821 
1 1 1  -16   16   19 o   72.065   21.848   19.728   11.843   10.833   15.355   32.790   18.607   62.649   24.470   90.689   27.361 -28.04010 36.70720 
1 1 1  -16   16   20 f  106.833   23.147   45.449   16.620   45.449   16.620   0.0000   0.0000  106.833   23.147  ?   ?  0.000000 23.14694 
1 1 1  -16   18    1 o  525.138   5.3120  954.580   19.307  877.436   26.086  1048.03   28.710  503.405   7.4870  550.166   7.5399 -46.76147 10.62568 
1 1 1  -16   18    2 o  501.462   6.0952  870.506   21.154  846.473   25.743  920.488   37.125  494.447   7.5224  515.488   10.406 -21.04132 12.83985 
1 1 1  -16   18    3 o  394.749   6.2389  539.429   17.045  559.512   30.604  530.398   20.523  401.888   11.003  391.399   7.5762 10.48868 13.35872 
1 1 1  -16   18    4 o  767.989   6.3507  2041.72   33.756  1996.98   46.836  2090.08   48.695  759.410   8.9111  776.902   9.0561 -17.49200 12.70512 
1 1 1  -16   18    5 o  178.660   8.6615  110.520   10.710  109.854   17.437  110.924   13.572  177.460   14.318  178.615   11.033 -1.154068 18.07601 
1 1 1  -16   18    6 o  367.669   5.4505  467.903   13.870  437.707   25.529  480.548   16.521  355.507   10.375  372.589   6.4065 -17.08200 12.19402 
1 1 1  -16   18    7 o  714.833   7.2205  1769.02   35.723  1716.10   59.838  1798.33   44.529  703.790   12.284  720.653   8.9278 -16.86298 15.18595 
1 1 1  -16   18    8 o  760.771   7.4908  2003.91   39.442   0.0000   0.0000  2003.91   39.442  ?   ?   760.771   7.4908 0.000000 7.490808 
1 1 1  -16   18    9 o  529.387   6.6992  970.311   24.545  1065.85   46.134  932.588   28.989  554.529   12.021  518.935   8.0713 35.59406 14.47889 
1 1 1  -16   18   10 o  321.664   7.4217  358.327   16.523  415.756   30.117  333.600   19.762  346.238   12.568  310.304   9.2018 35.93463 15.57636 
1 1 1  -16   18   11 o  101.891   17.676   37.149   12.013   13.937   25.183   43.987   13.669   80.249   31.339  110.960   18.446 -30.71180 36.36455 
1 1 1  -16   18   12 o  265.251   7.9172  243.846   14.535  269.317   30.234  236.190   16.576  277.695   15.796  260.986   9.1766 16.70908 18.26826 
1 1 1  -16   18   13 o  262.993   10.538  240.290   19.181  238.195   29.556  241.815   25.212  260.605   16.471  263.087   13.895 -2.481445 21.54933 
1 1 1  -16   18   14 o  320.690   7.9281  356.986   17.597  380.049   31.790  346.798   21.129  329.833   13.926  315.845   9.6654 13.98816 16.95142 
1 1 1  -16   18   15 o  137.296   20.326   68.293   18.731   0.0000   0.0000   68.293   18.731  ?   ?   137.296   20.326 0.000000 20.32557 
1 1 1  -16   18   16 o  130.524   14.753   60.748   13.094   45.932   18.111   76.976   18.953  110.533   24.333  145.755   19.260 -35.22198 31.03239 
1 1 1  -16   18   17 o  212.928   7.2865  157.791   10.738  170.573   12.650  124.829   20.314  221.205   8.2626  186.803   15.862 34.40283 17.88528 
1 1 1  -16   18   18 o   52.700   19.153   8.6023   9.0337   10.115   10.468   4.1902   17.879   56.728   20.618   59.969   25.260 -3.240906 32.60645 
1 1 1  -16   18   19 o   42.757   18.246   0.7746   9.5354   7.0934   10.913 -19.6146   19.604   52.708   20.618   47.091   22.341 5.616161 30.40088 
1 1 1  -16   20    1 o  493.535   7.4790  843.326   25.547   0.0000   0.0000  843.326   25.547  ?   ?   493.535   7.4790 0.000000 7.478978 
1 1 1  -16   20    2 o  1162.47   11.885  4681.92   95.618  4840.00  140.585  4545.85  130.434  1181.17   17.197  1144.83   16.462 36.33643 23.80585 
1 1 1  -16   20    3 f  207.448   6.9458  148.981   9.9726  177.160   14.041  120.299   14.166  226.189   8.9694  186.030   11.052 40.15872 14.23386 
1 1 1  -16   20    4 o  911.761   7.0195  2877.86   44.296  2777.07   84.946  2915.50   51.913  895.191   13.710  917.645   8.1738 -22.45422 15.96204 
1 1 1  -16   20    5 o  315.575   6.5434  344.736   14.292  354.537   23.581  339.045   17.968  319.948   10.649  312.930   8.2961 7.017670 13.49895 
1 1 1  -16   20    6 o  253.517   7.4440  222.505   13.061  209.756   20.615  231.055   16.882  246.063   12.105  258.309   9.4430 -12.24615 15.35260 
1 1 1  -16   20    7 o  1023.07   8.9295  3624.45   63.228   0.0000   0.0000  3624.45   63.228  ?   ?   1023.07   8.9295 0.000000 8.929494 
1 1 1  -16   20    8 o  860.562   8.0298  2564.43   47.826   0.0000   0.0000  2564.43   47.826  ?   ?   860.562   8.0298 0.000000 8.029823 
1 1 1  -16   20   10 o  400.966   7.4873  556.829   20.778  541.951   33.183  566.425   26.650  395.307   12.128  404.302   9.5238 -8.995514 15.42074 
1 1 1  -16   20   11 o  350.216   7.3627  424.882   17.846  480.829   32.987  401.730   21.220  372.173   12.806  340.454   9.0055 31.71887 15.65559 
1 1 1  -16   20   12 o  458.503   7.0458  728.474   22.359  819.024   41.036  690.241   26.665  485.513   12.212  446.159   8.6352 39.35431 14.95653 
1 1 1  -16   20   13 o  219.381   9.5591  167.143   14.514  186.375   16.317   94.244   31.767  231.604   10.179  159.945   29.793 71.65872 31.48387 
1 1 1  -16   20   14 o  192.525   12.880  129.950   17.064   0.0000   0.0000  129.950   17.064  ?   ?   192.525   12.880 0.000000 12.88042 
1 1 1  -16   20   15 o  231.883   8.1248  186.919   13.040  209.971   16.719  151.122   20.834  245.508   9.8393  206.958   14.640 38.54970 17.63886 
1 1 1  -16   20   16 o   76.283   17.965   21.508   9.3280   23.414   10.832   16.039   18.347   79.376   19.787   72.972   27.162 6.404243 33.60532 
1 1 1  -16   20   17 o   79.564   17.207   23.448   9.1997   19.484   10.518   36.351   18.977   72.290   20.227   96.962   27.183 -24.67203 33.88263 
1 1 1  -16   20   18 o  122.902   11.234   53.629   9.4498   62.883   10.781   22.951   19.629  132.986   11.837   79.908   28.331 53.07751 30.70472 
1 1 1  -16   20   19 f   97.392   18.789   35.903   12.206   35.903   12.206   0.0000   0.0000   97.392   18.789  ?   ?  0.000000 18.78925 
1 1 1  -16   22    1 o  139.855   14.155   68.486   13.513   68.486   13.513   0.0000   0.0000  139.855   14.155  ?   ?  0.000000 14.15508 
1 1 1  -16   22    2 o  527.777   6.2904  964.231   22.978  914.634   39.134  990.325   28.386  513.863   11.004  534.831   7.6685 -20.96820 13.41211 
1 1 1  -16   22    3 o  649.346   6.6901  1459.63   30.067   0.0000   0.0000  1459.63   30.067  ?   ?   649.346   6.6901 0.000000 6.690071 
1 1 1  -16   22    4 o  500.217   7.6310  866.258   26.419   0.0000   0.0000  866.258   26.419  ?   ?   500.217   7.6310 0.000000 7.631049 
1 1 1  -16   22    5 o  814.487   7.6241  2296.68   42.978   0.0000   0.0000  2296.68   42.978  ?   ?   814.487   7.6241 0.000000 7.624086 
1 1 1  -16   22    6 o  527.097   8.0107  961.939   29.224   0.0000   0.0000  961.939   29.224  ?   ?   527.097   8.0107 0.000000 8.010665 
1 1 1  -16   22    7 o  1044.65   9.1007  3779.34   65.799   0.0000   0.0000  3779.34   65.799  ?   ?   1044.65   9.1007 0.000000 9.100680 
1 1 1  -16   22    8 f  865.892   10.015  2597.47   60.018   0.0000   0.0000  2597.47   60.018  ?   ?   865.892   10.015 0.000000 10.01472 
1 1 1  -16   22   10 f  244.644   7.9789  207.331   13.510  185.366   26.358  215.157   15.734  230.334   16.646  249.180   9.1232 -18.84534 18.98233 
1 1 1  -16   22   11 o  124.631   12.287   54.444   10.461   39.342   13.768   75.067   16.090  104.507   19.759  145.994   16.196 -41.48655 25.54888 
1 1 1  -16   22   12 o  249.818   7.1957  216.311   12.442  224.034   16.925  207.231   18.351  254.080   9.6247  244.273   10.855 9.807510 14.50708 
1 1 1  -16   22   13 o  124.636   12.506   54.648   10.642   57.083   14.531   51.831   15.629  126.560   17.021  119.945   19.497 6.614113 25.88113 
1 1 1  -16   22   14 o   47.569   19.314   3.4031   9.9359   10.493   13.052  -6.3699   15.323   61.437   22.901   48.839   21.898 12.59776 31.68595 
1 1 1  -16   22   15 o  137.054   15.536   66.950   14.477   9.7220   28.055   87.718   16.900   77.816   32.121  157.042   15.762 -79.22585 35.77995 
1 1 1  -16   22   16 o  190.099   9.4679  126.107   12.457  127.164   15.597  124.244   20.701  190.076   11.916  186.554   16.194 3.522125 20.10542 
1 1 1  -16   22   17 o   91.669   15.313   30.622   9.3728   41.309   10.659  -5.8244   19.684  106.944   14.797   55.529   24.864 51.41570 28.93381 
1 1 1  -16   22   18 o   46.050   19.081   2.7816   9.9536   2.7816   9.9536   0.0000   0.0000   46.050   19.081  ?   ?  0.000000 19.08077 
1 1 1  -16   22   19 o   74.507   18.429   21.215   9.4508   17.512   10.552   36.234   21.250   67.839   20.635   93.692   29.421 -25.85257 35.93573 
1 1 1  -16   24    1 o  436.385   10.234  659.512   30.910   0.0000   0.0000  659.512   30.910  ?   ?   436.385   10.234 0.000000 10.23419 
1 1 1  -16   24    2 o  1460.08   11.774  7384.83  118.978  7375.61  205.510  7389.49  145.920  1457.70   20.370  1460.17   14.439 -2.466797 24.96814 
1 1 1  -16   24    3 o  1245.85   10.292  5375.39   88.746   0.0000   0.0000  5375.39   88.746  ?   ?   1245.85   10.292 0.000000 10.29211 
1 1 1  -16   24    4 o  930.712   8.2743  2999.13   53.299   0.0000   0.0000  2999.13   53.299  ?   ?   930.712   8.2743 0.000000 8.274255 
1 1 1  -16   24    5 o  743.097   8.9613  1912.08   46.088   0.0000   0.0000  1912.08   46.088  ?   ?   743.097   8.9613 0.000000 8.961252 
1 1 1  -16   24    6 o  282.717   7.3181  276.728   14.319   0.0000   0.0000  276.728   14.319  ?   ?   282.717   7.3181 0.000000 7.318110 
1 1 1  -16   24    7 o  571.020   6.7783  1128.89   26.789   0.0000   0.0000  1128.89   26.789  ?   ?   571.020   6.7783 0.000000 6.778297 
1 1 1  -16   24    9 o  549.006   7.1969  1043.82   27.346  1072.68   47.231  1029.26   33.540  556.151   12.270  545.058   8.8909 11.09283 15.15286 
1 1 1  -16   24   10 f  363.525   6.0006  457.610   15.098  452.886   21.042  462.622   21.675  361.531   8.4093  365.387   8.5709 -3.856598 12.00735 
1 1 1  -16   24   11 o  146.184   10.570   74.537   10.622   85.551   14.309   61.017   15.854  156.329   13.353  131.083   17.946 25.24521 22.36836 
1 1 1  -16   24   12 o  250.809   8.4667  218.227   14.697  226.396   16.932  193.268   29.598  255.371   9.5799  234.257   18.404 21.11418 20.74764 
1 1 1  -16   24   13 o  148.350   10.502   76.931   10.713  106.169   14.956   46.127   15.352  174.079   12.497  112.703   20.433 61.37528 23.95195 
1 1 1  -16   24   14 o   45.054   18.835   1.5297   9.8225 -17.7970   13.205   25.472   14.697   37.507   17.945   83.341   24.108 -45.83398 30.05400 
1 1 1  -16   24   15 o   36.572   16.930  -8.1483   10.143   7.5626   13.671 -27.3866   15.128   58.408   23.007   36.884   18.013 21.52423 29.21937 
1 1 1  -16   24   16 o  213.628   8.5932  159.090   12.705  161.877   15.916  154.195   21.095  215.061   10.693  208.364   14.723 6.696457 18.19619 
1 1 1  -16   24   17 o   87.478   15.609   28.036   9.1040   31.926   10.197   12.751   20.211   93.250   16.398   70.495   27.908 22.75498 32.36906 
1 1 1  -16   24   18 o   83.175   16.855   25.811   9.3707   39.574   10.413 -32.8098   21.490  104.209   14.858   44.883   21.818 59.32585 26.39702 
1 1 1  -16   24   19 o  103.919   14.252   39.543   9.9805   45.602   11.252   17.185   21.615  111.415   14.970   73.446   28.929 37.96976 32.57291 
1 1 1  -16   26    1 o  673.354   6.8013  1569.57   31.696  1610.24   55.845  1550.24   38.498  681.792   11.835  669.140   8.3128 12.65240 14.46248 
1 1 1  -16   26    2 o  1047.50   10.928  3800.44   79.228  3679.51  108.598  3938.05  115.843  1030.28   15.230  1065.80   15.704 -35.52441 21.87609 
1 1 1  -16   26    3 o  459.183   10.416  730.244   33.101  730.244   33.101   0.0000   0.0000  459.183   10.416  ?   ?  0.000000 10.41551 
1 1 1  -16   26    4 o  1565.62   10.876  8490.17  117.849  8151.22  225.373  8617.73  138.257  1532.07   21.254  1577.08   12.666 -45.00732 24.74234 
1 1 1  -16   26    6 o  398.766   6.7543  550.523   18.641   0.0000   0.0000  550.523   18.641  ?   ?   398.766   6.7543 0.000000 6.754250 
1 1 1  -16   26    7 f  471.970   6.7390  771.255   22.013   0.0000   0.0000  771.255   22.013  ?   ?   471.970   6.7390 0.000000 6.739005 
1 1 1  -16   26    8 o  281.473   9.6023  274.507   18.706   0.0000   0.0000  274.507   18.706  ?   ?   281.473   9.6023 0.000000 9.602295 
1 1 1  -16   26    9 o  305.316   9.5385  323.054   20.156   0.0000   0.0000  323.054   20.156  ?   ?   305.316   9.5385 0.000000 9.538548 
1 1 1  -16   26   10 o  380.118   5.8902  500.369   15.496  481.718   21.011  522.616   22.947  372.846   8.1420  388.325   8.5379 -15.47876 11.79777 
1 1 1  -16   26   11 f  198.469   9.7012  136.673   13.326  141.624   15.250  120.683   27.406  201.662   10.967  184.255   21.921 17.40671 24.51113 
1 1 1  -16   26   12 o  132.008   11.412   61.058   10.324   65.426   14.149   56.085   15.096  136.043   15.292  125.301   17.918 10.74223 23.55640 
1 1 1  -16   26   13 o  190.128   8.4542  125.558   11.125  146.516   15.060  100.382   16.505  204.891   10.657  168.848   14.257 36.04283 17.79977 
1 1 1  -16   26   14 o  195.791   10.648  134.044   14.375  140.000   30.297  132.314   16.330  196.635   22.678  194.204   12.211 2.431320 25.75636 
1 1 1  -16   26   15 o   59.761   20.000   12.152   9.7315   15.795   12.826   7.2097   14.939   67.944   22.960   59.715   23.880 8.229382 33.12687 
1 1 1  -16   26   16 o   84.075   22.944   26.686   13.723   45.332   25.130   18.763   16.382  107.388   31.658   74.045   25.914 33.34290 40.91129 
1 1 1  -16   26   17 o   46.725   20.310  -0.8330   12.237  -0.8330   12.237   0.0000   0.0000   46.725   20.310  ?   ?  0.000000 20.30951 
1 1 1  -16   26   18 o  175.365   8.6717  107.758   10.525  102.092   11.825  129.366   23.091  170.035   10.093  187.614   18.004 -17.57838 20.64032 
1 1 1  -16   26   19 o   67.591   20.065   17.606   10.067   23.628   11.419  -3.3995   21.325   77.623   20.824   57.367   25.770 20.25581 33.13180 
1 1 1  -16   28    1 o  530.988   6.3366  975.995   23.287  1058.54   41.949  939.228   27.998  552.819   10.964  520.851   7.7666 31.96802 13.43601 
1 1 1  -16   28    2 o  336.022   5.5487  390.826   12.904  345.024   24.680  408.060   15.139  315.601   11.299  343.337   6.3707 -27.73572 12.97100 
1 1 1  -16   28    3 o  227.379   6.7025  178.980   10.548  139.219   19.439  195.572   12.557  199.917   14.140  237.672   7.6338 -37.75488 16.06920 
1 1 1  -16   28    4 o  516.160   6.4315  922.296   22.976  890.732   37.724  940.910   28.969  507.088   10.749  521.290   8.0293 -14.20239 13.41651 
1 1 1  -16   28    5 o  778.394   12.689  2100.00   68.359  2100.00   68.359   0.0000   0.0000  778.394   12.689  ?   ?  0.000000 12.68867 
1 1 1  -16   28    6 f  359.445   7.1336  447.356   17.747  421.854   29.094  462.466   22.395  348.870   12.050  365.410   8.8552 -16.54062 14.95346 
1 1 1  -16   28    7 o  818.943   7.7463  2322.64   43.906  2353.66   77.336  2307.89   53.335  823.749   13.565  816.188   9.4416 7.561157 16.52709 
1 1 1  -16   28    8 f  646.273   5.9966  1446.14   26.822  1453.00   37.638  1439.05   38.235  647.640   8.3968  644.510   8.5713 3.129883 11.99891 
1 1 1  -16   28    9 o  891.234   10.043  2753.72   61.948   0.0000   0.0000  2753.72   61.948  ?   ?   891.234   10.043 0.000000 10.04281 
1 1 1  -16   28   10 o  535.666   5.7294  993.741   21.241  971.313   28.857  1020.27   31.381  529.403   7.8756  542.529   8.3573 -13.12622 11.48340 
1 1 1  -16   28   11 o  186.566   8.6703  120.750   11.196  121.390   14.792  119.892   17.130  186.534   11.514  185.099   13.464 1.434479 17.71536 
1 1 1  -16   28   12 o  190.492   8.2572  125.952   10.886  139.115   14.788  110.380   16.085  199.707   10.739  177.436   13.192 22.27090 17.01033 
1 1 1  -16   28   13 o  100.186   19.394   36.618   12.962   10.444   26.573   44.789   14.848   77.432   31.530  110.897   20.085 -33.46535 37.38351 
1 1 1  -16   28   14 o   53.199   19.869   7.7973   9.8339   14.626   13.314  -0.4007   14.588   66.926   23.365   52.038   22.396 14.88765 32.36552 
1 1 1  -16   28   15 o   75.128   18.796   20.926   9.7490   30.192   12.934   8.7377   14.834   89.889   21.144   61.097   23.997 28.79142 31.98366 
1 1 1  -16   28   16 o  165.376   10.236   96.126   11.658  110.783   14.919   73.142   18.683  177.013   12.253  141.141   19.659 35.87273 23.16492 
1 1 1  -16   28   17 o   54.488   20.739   8.2594   10.828   5.4589   12.769   15.429   20.431   53.854   21.884   72.751   28.278 -18.89750 35.75736 
1 1 1  -16   28   18 o   62.671   19.652   14.579   9.4852   12.254   10.725   22.927   20.321   59.659   20.963   79.098   28.729 -19.43881 35.56452 
1 1 1  -16   30    1 o  1163.17   8.4475  4684.77   68.006  4367.81  126.545  4813.49   80.641  1122.23   16.292  1178.91   9.8832 -56.68311 19.05579 
1 1 1  -16   30    2 o  593.171   5.7010  1217.95   23.405  1148.78   44.575  1244.27   27.501  575.855   11.184  599.519   6.6278 -23.66431 13.00037 
1 1 1  -16   30    3 o  807.162   13.000  2258.05   72.624  2258.05   72.624   0.0000   0.0000  807.162   13.000  ?   ?  0.000000 12.99989 
1 1 1  -16   30    4 o  1244.22   8.9645  5361.51   77.197  5200.00  148.511  5421.31   90.365  1223.97   17.531  1250.97   10.437 -26.99487 20.40278 
1 1 1  -16   30    5 o  447.324   5.7253  692.704   17.726  660.488   33.623  705.103   20.860  436.582   11.127  451.281   6.6786 -14.69946 12.97786 
1 1 1  -16   30    6 o  327.808   6.8480  372.081   15.537  380.341   26.574  367.791   19.151  331.249   11.591  325.862   8.4914 5.386383 14.36868 
1 1 1  -16   30    7 o  604.848   5.8188  1266.62   24.359  1239.98   33.679  1295.85   35.274  598.317   8.1330  611.633   8.3327 -13.31671 11.64389 
1 1 1  -16   30    8 o  236.103   7.3238  193.080   11.968  193.439   16.243  192.655   17.701  236.233   9.9344  235.716   10.850 0.5167694 14.71115 
1 1 1  -16   30    9 o   61.531   20.238   12.635   9.9772   13.545   12.832   11.243   15.866   65.831   22.941   66.539   25.157 -0.7078857 34.04646 
1 1 1  -16   30   10 o  135.722   12.814   64.602   11.895   72.051   13.436   37.615   25.574  143.268   13.718  103.018   32.264 40.24984 35.05885 
1 1 1  -16   30   11 o  149.195   10.247   77.699   10.517   85.464   14.302   68.559   15.518  156.058   13.371  139.100   16.437 16.95795 21.18842 
1 1 1  -16   30   12 o  133.688   10.953   62.625   10.046   67.435   13.612   56.871   14.887  138.154   14.449  126.089   17.534 12.06474 22.72033 
1 1 1  -16   30   13 o  290.884   6.6303  293.619   13.348  335.628   18.942  252.178   18.814  310.670   8.8095  269.087   10.102 41.58295 13.40349 
1 1 1  -16   30   14 o  143.376   10.475   72.124   10.323   78.948   14.226   64.538   15.001  149.287   13.930  134.191   16.499 15.09599 21.59314 
1 1 1  -16   30   15 o  143.345   10.513   72.251   10.357   64.275   13.664   83.022   15.878  134.036   14.986  152.449   15.254 -18.41266 21.38343 
1 1 1  -16   30   16 o   92.719   19.137   32.100   11.874   34.172   12.939   21.049   29.883   95.391   20.225   85.556   33.914 9.835442 39.48707 
1 1 1  -16   30   17 o  111.839   22.509   47.943   16.820   55.951   26.171   42.307   21.955  116.459   31.645  102.349   29.425 14.10963 43.21134 
1 1 1  -16   30   18 o   42.339   20.024 -15.1134   15.513 -21.8927   25.925 -11.3317   19.363   54.572   25.832   50.592   23.410 3.979355 34.86161 
1 1 1  -16   32    1 o  364.083   6.6812  458.916   16.836  473.171   28.068  450.906   21.041  369.561   10.974  360.846   8.4250 8.714508 13.83472 
1 1 1  -16   32    2 o   77.158   18.114   21.501   9.5075   3.8361   18.955   27.439   10.990   63.819   26.378   87.233   18.760 -23.41389 32.36876 
1 1 1  -16   32    3 o  905.617   8.1951  2840.14   51.366  2742.44   85.661  2895.00   64.187  889.319   13.917  914.151   10.145 -24.83246 17.22219 
1 1 1  -16   32    4 o  535.070   5.7957  991.134   21.463  988.781   41.644  991.985   25.046  534.153   11.264  535.263   6.7608 -1.109558 13.13750 
1 1 1  -16   32    5 o  498.288   5.7711  859.583   19.903  790.244   37.177  887.440   23.564  477.492   11.250  506.261   6.7251 -28.76862 13.10650 
1 1 1  -16   32    6 f  390.883   6.6335  529.061   17.946  479.366   30.069  556.555   22.366  371.833   11.684  400.853   8.0617 -29.01923 14.19547 
1 1 1  -16   32    7 o  503.966   5.6519  879.371   19.714  848.136   27.015  914.950   28.833  494.815   7.8884  513.921   8.1062 -19.10629 11.31093 
1 1 1  -16   32    8 o  647.746   6.0201  1452.99   26.989  1436.24   37.221  1471.56   39.191  643.792   8.3534  651.624   8.6899 -7.832214 12.05377 
1 1 1  -16   32    9 f  357.233   8.7913  442.479   21.736   0.0000   0.0000  442.479   21.736  ?   ?   357.233   8.7913 0.000000 8.791286 
1 1 1  -16   32   10 o  192.277   8.1767  128.227   10.881  124.712   14.316  133.036   16.745  189.138   10.984  195.170   12.461 -6.031906 16.61102 
1 1 1  -16   32   11 f  110.484   13.584   43.208   10.169   39.837   13.563   47.535   15.367  104.835   19.407  114.597   20.108 -9.761459 27.94599 
1 1 1  -16   32   12 o   58.416   23.489   6.0653   14.541   0.0000   0.0000   6.0653   14.541  ?   ?    58.416   23.489 0.000000 23.48858 
1 1 1  -16   32   13 o   81.059   17.450   24.070   9.4998   21.322   12.940   27.284   13.991   76.505   22.757   85.748   23.070 -9.243439 32.40547 
1 1 1  -16   32   14 o  385.017   6.0329  514.594   16.076  559.562   22.751  469.752   22.719  400.958   8.1984  367.175   8.9401 33.78299 12.13015 
1 1 1  -16   32   15 o   63.239   19.710   14.411   9.5575   18.407   12.638   9.0743   14.607   71.283   22.725   60.905   23.845 10.37855 32.93964 
1 1 1  -16   32   16 o  116.444   13.051   48.527   10.337   50.605   13.158   45.178   16.708  117.785   16.601  108.806   22.911 8.979095 28.29284 
1 1 1  -16   32   17 o   86.241   20.944   28.574   12.376   35.665   13.805  -0.4702   27.939   96.395   21.263   67.997   30.082 28.39814 36.83801 
1 1 1  -16   32   18 o  135.865   13.268   66.791   12.317   55.405   15.163   88.878   21.119  121.068   18.698  152.672   20.504 -31.60397 27.74977 
1 1 1  -16   34    1 f  409.823   5.6330  581.421   15.978  552.683   30.767  592.033   18.696  399.363   11.131  413.521   6.5326 -14.15750 12.90657 
1 1 1  -16   34    2 o   59.526   20.123   11.429   9.8519  -1.1405   19.662   15.643   11.384   60.857   26.092   67.755   21.565 -6.897606 33.84983 
1 1 1  -16   34    3 o  498.075   5.6967  858.827   19.638  804.390   37.427  879.507   23.068  481.762   11.225  504.002   6.6131 -22.24020 13.02792 
1 1 1  -16   34    4 o  637.869   6.9991  1408.91   30.899  1280.49   48.913  1494.20   39.860  607.766   11.628  656.774   8.7690 -49.00836 14.56390 
1 1 1  -16   34    5 o  303.613   12.567  319.707   26.407  319.707   26.407   0.0000   0.0000  303.613   12.567  ?   ?  0.000000 12.56671 
1 1 1  -16   34    6 o  421.754   8.1567  616.206   23.810   0.0000   0.0000  616.206   23.810  ?   ?   421.754   8.1567 0.000000 8.156723 
1 1 1  -16   34    7 o  617.710   5.9025  1321.29   25.235  1255.13   34.122  1401.16   37.490  601.864   8.1914  635.881   8.5184 -34.01788 11.81785 
1 1 1  -16   34    8 o  504.727   5.6879  882.242   19.869  853.608   26.890  916.675   29.488  496.301   7.8284  514.265   8.2847 -17.96338 11.39828 
1 1 1  -16   34    9 o  270.964   7.7194  254.541   14.477  257.822   16.766  244.927   28.701  272.624   8.8855  264.582   15.745 8.041931 18.07889 
1 1 1  -16   34   10 o  157.100   9.8823   86.073   10.690   93.692   14.195   76.089   16.250  163.547   12.638  146.641   16.286 16.90555 20.61451 
1 1 1  -16   34   11 o  252.497   6.8838  221.147   12.030  236.459   16.367  203.153   17.742  260.866   9.0649  241.615   10.610 19.25067 13.95495 
1 1 1  -16   34   12 o  231.420   7.9284  186.053   12.699  215.015   16.234  140.390   20.384  248.580   9.4357  199.525   14.868 49.05539 17.60930 
1 1 1  -16   34   13 o  100.714   14.630   36.379   9.8998   43.108   13.579   28.744   14.464  108.744   18.717   87.770   23.388 20.97385 29.95530 
1 1 1  -16   34   14 o  169.794   9.1929  100.849   10.763  111.777   14.681   88.151   15.825  178.138   11.978  157.367   14.700 20.77092 18.96173 
1 1 1  -16   34   15 o   53.947   21.182   6.8177   11.555   4.6115   12.626   18.190   28.666   53.045   21.682   82.786   33.088 -29.74063 39.55890 
1 1 1  -16   34   16 o   69.821   20.187   18.298   10.307   13.836   12.856   26.329   17.245   64.269   22.912   83.062   26.553 -18.79357 35.07191 
1 1 1  -16   34   17 o   40.215   18.748 -10.1943   12.779  -9.4878   23.210 -10.5017   15.309   57.172   26.153   44.737   20.741 12.43516 33.37949 
1 1 1  -16   36    1 o  346.448   7.0203  415.618   16.833  390.098   27.957  430.132   21.083  335.439   12.042  352.388   8.6446 -16.94949 14.82370 
1 1 1  -16   36    2 o  429.821   6.8271  639.717   20.310  628.293   33.898  646.114   25.367  425.728   11.505  431.893   8.4861 -6.165863 14.29577 
1 1 1  -16   36    3 o  727.653   7.2274  1833.61   36.398  1814.63   62.434  1843.38   44.799  723.365   12.471  729.457   8.8734 -6.091553 15.30536 
1 1 1  -16   36    4 o   61.211   19.684   12.684   9.4664   13.106   12.633   12.143   14.296   65.102   22.758   65.773   24.065 -0.6701813 33.12202 
1 1 1  -16   36    5 o  444.096   8.1540  683.239   25.062  642.439   34.509  728.781   36.459  430.394   11.585  458.412   11.491 -28.01837 16.31734 
1 1 1  -16   36    6 o  459.033   5.6599  729.618   17.982  718.500   24.763  742.019   26.154  455.395   7.8565  462.767   8.1658 -7.371796 11.33160 
1 1 1  -16   36    7 o  182.639   8.8194  115.638   11.148  104.610   14.786  130.165   16.971  173.122   12.423  193.168   12.766 -20.04672 17.81284 
1 1 1  -16   36    8 o  469.842   5.6816  764.633   18.476  737.709   24.983  797.129   27.447  461.304   7.8251  479.473   8.2708 -18.16901 11.38589 
1 1 1  -16   36    9 o  244.591   7.0870  207.408   11.997  218.946   15.999  192.584   18.135  251.143   9.2041  235.370   11.132 15.77284 14.44438 
1 1 1  -16   36   10 o  203.926   8.0754  144.341   11.398  128.282   15.031  166.068   17.483  191.634   11.384  218.084   11.625 -26.44991 16.27043 
1 1 1  -16   36   11 o   49.724   21.098   0.7266   12.618  -5.5171   24.962   2.8695   14.624   64.608   28.516   55.318   23.041 9.290287 36.66183 
1 1 1  -16   36   12 o  220.956   7.4686  169.603   11.421  176.053   15.539  162.023   16.844  224.778   9.9884  215.129   11.353 9.648849 15.12157 
1 1 1  -16   36   13 o   67.089   19.433   16.436   9.5441   26.405   13.247   5.6777   13.762   84.098   22.370   56.380   22.787 27.71812 31.93210 
1 1 1  -16   36   14 o  144.456   10.358   73.375   10.287   80.751   13.770   64.060   15.475  150.824   13.328  133.039   17.209 17.78528 21.76713 
1 1 1  -16   36   15 f  115.248   12.822   47.454   10.054   67.650   13.360   21.085   15.266  137.388   14.258   75.927   25.037 61.46069 28.81214 
1 1 1  -16   36   16 o   93.020   17.262   32.182   10.704   30.830   14.219   33.951   16.262   89.203   22.911   93.059   24.800 -3.855858 33.76310 
1 1 1  -16   36   17 o   80.680   19.286   25.016   10.623   20.938   14.371   29.929   15.773   73.936   24.287   86.528   24.959 -12.59289 34.82576 
1 1 1  -16   38    1 o  144.252   11.291   72.584   11.183  117.512   22.349   57.578   12.916  182.986   17.875  127.929   14.864 55.05731 23.24777 
1 1 1  -16   38    2 o  371.711   6.9894  478.496   17.981  468.537   30.181  483.977   22.388  367.566   11.864  373.760   8.6548 -6.193420 14.68508 
1 1 1  -16   38    3 o  363.235   12.114  457.659   30.454  457.659   30.454   0.0000   0.0000  363.235   12.114  ?   ?  0.000000 12.11371 
1 1 1  -16   38    4 o  394.239   6.6583  538.272   18.168  508.780   30.846  553.937   22.481  382.984   11.637  399.859   8.1232 -16.87534 14.19185 
1 1 1  -16   38    5 o   59.801   19.958   11.760   9.6898   10.239   12.891   13.736   14.692   61.480   22.791   68.140   24.473 -6.660004 33.44153 
1 1 1  -16   38    6 f  414.115   5.7058  593.903   16.354  589.793   22.708  598.331   23.571  412.534   7.9533  415.490   8.1967 -2.956207 11.42105 
1 1 1  -16   38    7 o  389.824   5.7773  526.373   15.587  496.317   20.960  563.566   23.316  378.367   8.0037  403.154   8.3561 -24.78687 11.57081 
1 1 1  -16   38    8 o  195.191   9.4883  132.262   12.818  126.839   15.044  146.634   24.488  190.671   11.453  204.026   17.511 -13.35406 20.92410 
1 1 1  -16   38    9 o  223.043   7.4766  172.574   11.542  153.945   15.254  197.525   17.653  210.416   10.474  238.321   10.702 -27.90518 14.97490 
1 1 1  -16   38   10 o  111.904   13.052   44.299   9.9192   35.603   12.946   56.663   15.436   98.783   19.627  125.618   18.292 -26.83535 26.82909 
1 1 1  -16   38   11 o  196.299   8.9658  134.031   12.181  158.909   15.196   89.317   20.373  213.570   10.281  157.778   19.041 55.79158 21.63942 
1 1 1  -16   38   12 o  209.858   7.6601  153.095   11.126  157.706   15.371  148.022   16.125  212.583   10.447  205.487   11.382 7.095581 15.44994 
1 1 1  -16   38   13 o  287.837   9.7878  289.277   19.499   0.0000   0.0000  289.277   19.499  ?   ?   287.837   9.7878 0.000000 9.787766 
1 1 1  -16   38   14 o  177.635   8.7891  110.151   10.806  113.292   14.487  106.213   16.223  179.174   11.747  172.865   13.671 6.309021 18.02481 
1 1 1  -16   38   15 o   97.229   15.522   34.544   10.094   49.565   13.338   14.405   15.444  116.289   17.081   67.355   24.950 48.93360 30.23667 
1 1 1  -16   38   16 o   99.136   20.302   37.463   13.461   50.293   24.181   31.701   16.205  110.145   30.615   89.566   25.122 20.57944 39.60344 
1 1 1  -16   40    1 o  267.461   14.223  249.122   26.233  249.122   26.233   0.0000   0.0000  267.461   14.223  ?   ?  0.000000 14.22256 
1 1 1  -16   40    2 o  166.258   10.306   96.206   11.800   89.366   22.458   98.814   13.869  158.728   20.956  168.340   11.982 -9.611694 24.13901 
1 1 1  -16   40    3 o  766.743   7.3825  2036.58   39.177  2012.28   47.429  2088.78   69.505  761.960   8.9936  775.662   12.947 -13.70142 15.76413 
1 1 1  -16   40    4 f  146.773   12.614   75.347   12.689   79.415   22.984   73.564   15.218  148.964   23.036  144.625   15.442 4.339233 27.73329 
1 1 1  -16   40    5 o  323.027   5.9604  361.413   13.326  361.651   18.197  361.138   19.569  323.013   8.1395  322.742   8.7605 0.2706909 11.95815 
1 1 1  -16   40    6 o  421.949   11.627  618.537   33.954   0.0000   0.0000  618.537   33.954  ?   ?   421.949   11.627 0.000000 11.62650 
1 1 1  -16   40    7 o  310.786   7.3365  334.878   15.781  341.272   18.946  320.390   28.517  313.617   8.7286  303.300   13.585 10.31784 16.14726 
1 1 1  -16   40    8 o  471.430   5.6795  770.145   18.531  733.434   25.035  814.641   27.562  459.771   7.8672  484.498   8.2194 -24.72769 11.37766 
1 1 1  -16   40    9 o  332.913   6.0699  384.249   13.986  372.067   18.653  399.892   21.137  327.339   8.2332  339.246   9.0024 -11.90637 12.19953 
1 1 1  -16   40   10 o  176.434   11.202  108.964   13.608  126.049   23.485  100.329   16.697  188.141   18.266  168.619   14.447 19.52159 23.28874 
1 1 1  -16   40   11 o  140.439   10.553   69.178   10.182   72.380   13.378   64.770   15.698  143.035   13.680  134.340   17.285 8.695099 22.04348 
1 1 1  -16   40   12 o   65.731   19.192   15.745   9.2752   6.4603   12.302   27.975   14.119   55.013   21.775   86.422   23.142 -31.40951 31.77608 
1 1 1  -16   40   13 o   78.191   20.712   22.879   11.387   15.728   12.523   57.024   27.366   67.299   22.687  119.896   32.267 -52.59689 39.44454 
1 1 1  -16   40   14 o   55.731   20.032   9.8402   9.8456   20.652   13.298  -3.2760   14.647   74.576   23.250   49.117   21.753 25.45895 31.83980 
1 1 1  -16   40   15 o   43.218   18.530   0.3292   9.9168   0.0867   13.086   0.6564   15.198   48.916   21.132   52.890   22.811 -3.973392 31.09506 
1 1 1  -16   40   16 o   84.864   18.113   27.309   10.315   36.267   13.542   14.932   15.919   96.981   20.800   67.368   25.256 29.61356 32.71849 
1 1 1  -16   42    1 o  230.397   9.8821  184.084   15.758  220.390   25.811  162.510   19.896  251.324   14.905  215.876   13.383 35.44740 20.03140 
1 1 1  -16   42    2 f  350.311   5.8167  424.997   14.103  425.494   19.473  424.449   20.452  350.395   8.0299  349.937   8.4442 0.4572754 11.65261 
1 1 1  -16   42    3 o   62.137   22.035   11.723   11.874 -12.9073   21.420   22.649   14.267   55.705   25.344   79.907   23.925 -24.20163 34.85234 
1 1 1  -16   42    4 o  374.946   11.648  488.293   30.226   0.0000   0.0000  488.293   30.226  ?   ?   374.946   11.648 0.000000 11.64754 
1 1 1  -16   42    5 o  489.456   5.6367  829.854   19.095  816.322   26.260  845.036   27.815  485.227   7.8195  493.648   8.1411 -8.420929 11.28816 
1 1 1  -16   42    6 o  200.243   7.9438  139.076   11.009  133.661   14.774  145.839   16.509  195.804   10.946  204.450   11.716 -8.646332 16.03349 
1 1 1  -16   42    7 f   84.806   17.758   26.139   10.089   34.255   13.490   15.839   15.198   96.832   20.753   70.856   24.949 25.97525 32.45218 
1 1 1  -16   42    8 o   65.977   19.738   15.538   9.7134   23.756   12.982   5.0850   14.642   80.649   22.438   57.644   23.430 23.00552 32.44117 
1 1 1  -16   42    9 o  266.526   10.068  247.272   18.573   0.0000   0.0000  247.272   18.573  ?   ?   266.526   10.068 0.000000 10.06849 
1 1 1  -16   42   10 f   86.452   17.324   27.289   10.005   40.175   13.118   9.3695   15.469  105.020   18.735   63.019   24.575 42.00046 30.90203 
1 1 1  -16   42   11 o  254.632   6.9707  225.257   12.285  222.478   16.307  228.904   18.681  252.665   9.3250  256.040   10.542 -3.374023 14.07416 
1 1 1  -16   42   12 o  168.864   9.0707   99.739   10.562   99.093   14.000  100.592   16.093  167.611   12.151  168.383   13.934 -0.7727661 18.48767 
1 1 1  -16   42   13 o   52.570   19.430   8.1164   9.3551   12.124   12.545   3.0966   14.041   62.089   22.570   53.754   22.499 8.334297 31.86906 
1 1 1  -16   42   14 o   61.562   20.411   13.420   10.141   8.6790   13.610   19.339   15.206   58.697   23.007   73.338   24.999 -14.64132 33.97408 
1 1 1  -16   42   15 o   78.064   22.456   23.494   12.784   7.6927   23.575   30.076   15.215   68.626   28.962   87.556   24.267 -18.92960 37.78500 
1 1 1  -16   42   16 f   90.143   17.522   30.761   10.538   31.053   14.198   30.404   15.724   88.360   22.995   86.843   24.883 1.516945 33.88111 
1 1 1  -16   44    1 o  513.958   5.9286  915.014   21.089  888.293   41.292  924.443   24.530  505.667   11.798  516.514   6.8617 -10.84747 13.64855 
1 1 1  -16   44    2 o  362.702   5.7769  455.688   14.502  425.357   19.682  491.709   21.449  350.258   8.1190  376.577   8.2295 -26.31921 11.56038 
1 1 1  -16   44    3 o  328.698   5.9829  374.307   13.611  357.764   18.506  393.802   20.089  321.185   8.3249  336.947   8.6143 -15.76257 11.97955 
1 1 1  -16   44    4 o  261.866   6.5398  237.652   11.853  231.125   15.871  245.885   17.824  258.084   8.8850  266.131   9.6767 -8.046661 13.13701 
1 1 1  -16   44    5 o  203.031   8.7314  143.070   12.269  147.697   14.751  132.683   22.101  205.904   10.385  194.089   16.613 11.81505 19.59153 
1 1 1  -16   44    6 o  106.827   15.633   40.729   11.216   46.607   12.879   22.278   22.819  114.176   16.801   84.687   30.491 29.48888 34.81313 
1 1 1  -16   44    7 o   56.018   19.884   9.6447   9.6719   16.446   13.121   1.5504   14.313   69.704   23.222   53.636   22.598 16.06799 32.40228 
1 1 1  -16   44    8 o  139.902   13.121   68.984   12.556   84.585   21.609   61.032   15.428  153.115   20.940  130.554   17.516 22.56125 27.30016 
1 1 1  -16   44    9 o   85.422   17.640   26.680   10.084   23.260   13.066   31.717   15.857   79.570   22.643   92.264   24.442 -12.69429 33.31818 
1 1 1  -16   44   10 o  225.369   7.3856  176.512   11.520  168.471   15.193  187.387   17.669  219.792   9.9878  231.609   11.023 -11.81705 14.87461 
1 1 1  -16   44   11 f   60.766   19.514   12.989   9.3058   11.469   12.243   15.069   14.321   61.232   22.290   68.083   24.193 -6.850945 32.89619 
1 1 1  -16   44   12 o  159.350   11.518   89.568   12.618   86.297   14.241  101.512   27.212  155.897   13.327  164.527   24.657 -8.630386 28.02813 
1 1 1  -16   44   13 o   43.602   18.475   1.0101   9.6545   4.3638   13.205  -2.8414   14.151   53.544   22.063   48.556   21.449 4.988605 30.77032 
1 1 1  -16   44   14 o   44.856   19.563  -1.0283   11.434  -3.3166   20.104   0.0658   13.901   57.157   25.391   50.273   21.749 6.883999 33.43240 
1 1 1  -16   44   15 o  112.114   14.402   45.808   10.917   29.820   14.822   64.766   16.140   86.828   23.907  131.836   18.172 -45.00866 30.02909 
1 1 1  -16   46    1 o  289.773   7.0214  291.088   14.082  273.561   22.134  303.007   18.252  280.512   11.401  295.487   8.9248 -14.97485 14.47855 
1 1 1  -16   46    2 o  498.636   6.6192  861.820   22.844  819.512   39.479  883.115   28.009  485.399   11.751  504.568   8.0205 -19.16867 14.22757 
1 1 1  -16   46    3 o  171.445   8.6875  102.279   10.275  104.110   13.927  100.092   15.220  172.592   11.729  169.002   13.115 3.589951 17.59461 
1 1 1  -16   46    4 o  135.581   10.595   64.300   9.8633   69.668   13.518   58.189   14.423  140.613   14.080  127.876   16.695 12.73672 21.83934 
1 1 1  -16   46    5 o  176.653   8.4247  108.348   10.300  113.260   13.798  102.166   15.480  180.055   11.127  170.632   13.211 9.423203 17.27247 
1 1 1  -16   46    6 o  102.568   15.644   37.676   10.754   47.135   12.936   16.522   19.347  114.716   16.790   75.429   27.928 39.28703 32.58685 
1 1 1  -16   46    7 o  397.008   6.4944  546.782   17.845  537.574   21.557  566.829   31.808  393.416   7.9169  403.191   11.398 -9.774902 13.87814 
1 1 1  -16   46    8 o   84.295   30.997   22.020   23.760   0.0000   0.0000   22.020   23.760  ?   ?    84.295   30.997 0.000000 30.99714 
1 1 1  -16   46    9 o  124.987   11.656   55.078   9.9663   55.408   13.126   54.628   15.315  124.476   15.577  122.760   18.608 1.716095 24.26758 
1 1 1  -16   46   10 o   33.128   15.614  -9.9591   9.2840 -17.7654   12.154   0.9755   14.385   35.136   16.915   52.702   22.449 -17.56625 28.10795 
1 1 1  -16   46   11 o   55.599   19.824   9.7697   9.6238   11.201   12.584   7.7522   14.938   61.082   22.542   59.973   23.913 1.109001 32.86324 
1 1 1  -16   46   12 o   87.550   16.474   28.202   9.6162   40.958   13.262   14.060   13.964  105.142   18.920   65.921   23.835 39.22105 30.43157 
1 1 1  -16   46   13 o   44.878   18.849   1.7845   9.9089  -3.2610   13.968   6.8956   14.059   47.740   21.188   57.265   23.071 -9.525471 31.32429 
1 1 1  -16   46   14 o   39.653   17.556  -2.2553   9.5341   5.1015   13.357  -9.8959   13.613   53.993   22.212   42.085   19.528 11.90856 29.57568 
1 1 1  -16   48    1 o  371.815   5.7033  479.095   14.677  453.798   20.025  508.455   21.573  361.616   8.0011  382.755   8.1437 -21.13892 11.41654 
1 1 1  -16   48    2 o  152.411   10.486   81.161   10.994   60.390   16.497   97.756   14.745  129.764   18.925  166.967   12.859 -37.20215 22.88005 
1 1 1  -16   48    3 o  196.385   7.7695  133.846   10.560  125.024   14.421  144.047   15.508  189.209   11.060  203.137   11.072 -13.92809 15.64986 
1 1 1  -16   48    4 o  124.333   11.376   54.288   9.6812   70.805   13.165   34.839   14.286  141.747   13.586   97.337   21.753 44.40938 25.64695 
1 1 1  -16   48    5 o  139.698   11.938   68.549   11.431   64.315   13.250   80.878   22.609  134.815   14.424  149.259   22.592 -14.44386 26.80384 
1 1 1  -16   48    6 o   62.899   19.379   14.021   9.2697   9.0444   11.984   21.432   14.625   58.099   21.888   77.541   24.417 -19.44261 32.79150 
1 1 1  -16   48    7 o   51.236   20.164   5.5821   10.493   13.288   12.794 -10.2488   18.338   64.665   22.878   51.447   23.423 13.21795 32.74228 
1 1 1  -16   48    8 f  295.076   7.0930  302.470   14.486  289.244   17.266  333.902   26.619  288.284   8.6538  308.801   12.455 -20.51715 15.16598 
1 1 1  -16   48    9 o  273.906   6.6111  260.613   12.533  246.030   16.791  278.956   18.832  265.676   9.1319  282.783   9.6220 -17.10736 13.26554 
1 1 1  -16   48   10 o  116.374   12.436   48.103   9.8612   45.171   12.931   52.178   15.244  111.394   17.336  119.313   19.105 -7.919563 25.79816 
1 1 1  -16   48   11 o  102.409   14.802   37.912   10.187   44.498   13.252   28.399   15.927  110.083   18.017   86.368   25.129 23.71571 30.92065 
1 1 1  -16   48   12 o   49.441   19.309   5.8696   9.5601   0.5992   13.304   11.497   13.747   49.941   21.438   62.247   23.444 -12.30607 31.76832 
1 1 1  -16   48   13 o  145.085   12.687   75.209   12.612   82.780   22.266   71.633   15.303  147.622   22.505  140.261   16.053 7.361664 27.64338 
1 1 1  -16   48   14 o   83.105   18.165   26.262   10.157   20.829   13.920   32.448   14.853   73.716   23.886   90.506   23.503 -16.79009 33.51016 
1 1 1  -16   50    1 o  140.219   12.370   69.108   11.882   45.356   21.572   79.452   14.236  110.137   28.183  150.146   13.855 -40.00935 31.40513 
1 1 1  -16   50    2 o  231.014   6.8360  185.147   10.930  183.487   14.881  187.092   16.106  229.722   9.3594  231.887   10.036 -2.164444 13.72271 
1 1 1  -16   50    3 o   75.355   19.504   20.816   10.251   21.239   15.883   20.514   13.421   78.077   25.528   75.723   23.316 2.353867 34.57329 
1 1 1  -16   50    4 o  234.435   7.9193  190.908   12.850  203.472   15.136  158.488   24.314  241.889   9.0410  211.607   16.738 30.28255 19.02386 
1 1 1  -16   50    5 o  375.634   5.7231  489.324   14.879  486.027   20.223  493.216   21.970  374.025   7.8120  376.660   8.4276 -2.634705 11.49139 
1 1 1  -16   50    6 o   77.811   17.735   22.240   9.3383   24.375   12.268   19.299   14.400   81.163   21.497   74.227   24.308 6.936340 32.45041 
1 1 1  -16   50    7 o  117.010   15.337   49.024   12.121   63.220   20.617   41.525   14.984  130.548   23.691  105.978   21.170 24.56985 31.77124 
1 1 1  -16   50    8 o  100.338   16.078   36.453   10.788   30.544   12.828   50.732   19.940   90.527   20.897  115.773   25.568 -25.24630 33.02145 
1 1 1  -16   50    9 o   66.740   20.791   16.081   10.636   22.857   12.830   1.1951   19.016   78.300   22.489   59.864   25.663 18.43619 34.12199 
1 1 1  -16   50   10 o  210.150   9.0356  154.237   13.142  154.493   15.289  153.512   25.718  209.717   10.567  206.081   18.219 3.636398 21.06161 
1 1 1  -16   50   11 o   73.138   19.143   20.088   9.8031   20.826   12.845   19.058   15.171   74.614   22.783   73.114   24.969 1.500404 33.80141 
1 1 1  -16   50   12 o  154.804   9.9114   84.477   10.564   90.751   14.708   77.794   15.181  159.268   13.469  146.728   15.168 12.53979 20.28523 
1 1 1  -16   50   13 o   66.660   20.225   16.758   10.146   10.227   14.146   23.678   14.561   60.453   23.521   78.145   24.324 -17.69166 33.83628 
1 1 1  -16   52    1 o  164.239   8.7679   94.059   9.9306   81.702   13.236  109.973   15.021  152.381   12.665  177.008   12.338 -24.62631 17.68121 
1 1 1  -16   52    2 o  131.788   10.597   60.917   9.5839   59.411   12.800   62.839   14.458  129.373   14.548  132.745   16.064 -3.372101 21.67214 
1 1 1  -16   52    3 o  218.980   7.1368  166.505   10.817  163.908   14.581  169.682   16.129  216.955   9.7107  220.617   10.563 -3.662140 14.34854 
1 1 1  -16   52    4 o  197.700   8.8490  136.001   12.108  129.658   18.363  140.880   16.105  191.777   13.930  200.483   11.657 -8.705978 18.16405 
1 1 1  -16   52    5 o  218.671   7.2163  166.123   10.921  167.173   14.827  164.879   16.148  219.003   9.7822  217.337   10.735 1.666367 14.52338 
1 1 1  -16   52    6 f  115.095   19.022   48.327   14.624   0.0000   0.0000   48.327   14.624  ?   ?   115.095   19.022 0.000000 19.02241 
1 1 1  -16   52    7 o   88.074   15.898   28.241   9.3346   22.128   12.202   36.866   14.494   77.223   21.849   99.356   21.687 -22.13232 30.78462 
1 1 1  -16   52    8 o  194.538   7.9780  131.800   10.742  132.492   14.473  130.951   16.028  194.245   10.808  192.764   12.074 1.481583 16.20531 
1 1 1  -16   52    9 o  300.301   6.9810  313.788   14.510  307.603   17.311  328.390   26.601  296.958   8.4229  305.341   12.587 -8.382629 15.14559 
1 1 1  -16   52   10 o  142.101   12.014   71.639   11.705   72.955   14.000   68.585   21.334  142.666   14.374  134.416   23.803 8.250443 27.80632 
1 1 1  -16   52   11 o   52.891   19.671   8.2909   9.6191   17.085   13.119  -1.9329   14.146   68.923   23.221   49.065   21.569 19.85791 31.69289 
1 1 1  -16   52   12 o   83.411   20.338   26.707   11.635   32.698   19.950   23.618   14.324   90.391   28.524   78.212   24.089 12.17828 37.33431 
1 1 1  -16   54    1 o  308.613   5.9933  330.461   12.801  310.078   17.263  355.364   19.081  298.574   8.3538  319.580   8.6266 -21.00623 12.00854 
1 1 1  -16   54    2 o  254.553   6.5628  224.958   11.562  215.831   15.717  235.723   17.070  248.963   9.1214  260.118   9.4815 -11.15497 13.15671 
1 1 1  -16   54    3 o  141.169   11.453   70.110   11.093   78.473   12.978   47.420   21.376  149.137   12.694  111.661   27.775 37.47544 30.53808 
1 1 1  -16   54    4 o  107.636   12.969   41.204   9.4672   39.742   13.034   42.836   13.774  104.211   18.761  108.194   19.092 -3.982574 26.76719 
1 1 1  -16   54    5 o  254.214   7.5296  224.745   13.248  234.878   20.929  217.971   17.112  258.988   11.676  249.908   9.8937 9.080841 15.30409 
1 1 1  -16   54    6 o  271.663   7.2638  256.663   13.658  258.117   16.593  253.610   24.049  272.113   8.8104  268.601   12.936 3.512573 15.65154 
1 1 1  -16   54    7 o  236.476   6.9101  194.472   11.310  195.969   15.040  192.523   17.157  236.942   9.1711  234.518   10.570 2.423553 13.99438 
1 1 1  -16   54    8 o  156.241   9.4700   85.645   10.192   81.024   13.264   92.307   15.927  151.096   12.804  160.809   14.465 -9.712570 19.31764 
1 1 1  -16   54    9 o   71.650   20.820   19.200   10.939   17.749   12.486   23.990   22.689   69.858   22.622   83.181   30.335 -13.32285 37.84120 
1 1 1  -16   54   10 o   70.834   20.964   18.847   11.002   31.010   13.437  -5.8829   19.160   89.964   21.808   54.273   24.399 35.69086 32.72465 
1 1 1  -16   54   11 o  125.115   17.167   57.692   14.474   56.195   20.890   59.073   20.071  119.055   26.074  123.053   24.429 -3.997559 35.73023 
1 1 1  -16   54   12 o  185.850   8.6896  121.301   11.177  144.891   15.669   96.859   15.949  201.830   11.262  163.534   14.233 38.29625 18.14977 
1 1 1  -16   56    1 f  107.943   12.795   41.433   9.3728   38.166   12.380   45.819   14.347  102.176   18.172  111.876   19.221 -9.699387 26.45134 
1 1 1  -16   56    2 o  216.225   7.2796  162.541   10.894  159.757   14.731  165.903   16.185  213.938   9.9488  217.861   10.734 -3.923401 14.63518 
1 1 1  -16   56    3 o   83.002   16.592   25.246   9.1984   7.8449   12.163   48.494   14.059   56.430   21.851  115.387   18.208 -58.95766 28.44290 
1 1 1  -16   56    4 o  160.566   8.9795   90.173   9.9389  101.125   13.443   76.969   14.761  169.504   11.527  146.949   14.711 22.55453 18.68917 
1 1 1  -16   56    5 o   79.580   23.266   23.637   13.623   0.0000   0.0000   23.637   13.623  ?   ?    79.580   23.266 0.000000 23.26608 
1 1 1  -16   56    6 o   47.085   19.654   2.1980   10.673   3.1859   16.381   1.4694   14.068   57.513   24.200   52.348   22.247 5.165684 32.87176 
1 1 1  -16   56    7 o  120.493   11.761   51.522   9.6831   44.655   12.672   61.161   15.012  110.540   17.116  129.708   17.142 -19.16823 24.22435 
1 1 1  -16   56    8 o  147.290   11.144   76.698   11.276   73.323   12.988   87.024   22.722  143.371   13.238  152.507   22.176 -9.136215 25.82712 
1 1 1  -16   56    9 o   95.059   15.712   33.142   9.9759   48.183   13.590   15.571   14.690  114.260   17.762   67.994   24.466 46.26626 30.23352 
1 1 1  -16   56   10 o  108.551   13.888   42.678   10.195   44.278   13.783   40.745   15.148  108.609   19.030  102.863   21.946 5.746239 29.04763 
1 1 1  -16   56   11 o   52.395   22.221   2.8445   13.987   2.8445   13.987   0.0000   0.0000   52.395   22.221  ?   ?  0.000000 22.22053 
1 1 1  -16   58    1 o  242.647   7.3899  204.858   12.411  196.398   14.808  224.829   22.752  237.271   9.0170  252.432   13.067 -15.16153 15.87625 
1 1 1  -16   58    2 o  125.877   12.634   56.248   10.859   53.708   12.330   65.024   22.922  122.382   14.862  130.627   26.264 -8.244690 30.17756 
1 1 1  -16   58    3 o   88.067   15.636   28.284   9.1814   20.877   12.076   38.431   14.135   74.957   21.902  101.434   20.831 -26.47701 30.22632 
1 1 1  -16   58    4 o   72.993   18.660   19.853   9.4629   0.6471   12.752   43.390   14.117   49.302   21.072  108.259   19.561 -58.95722 28.75126 
1 1 1  -16   58    5 o  144.579   10.097   73.534   10.041   72.952   13.779   74.193   14.661  142.906   14.116  143.860   14.942 -0.9545135 20.55583 
1 1 1  -16   58    6 o  116.649   12.344   48.482   9.8144   47.114   13.455   50.036   14.347  113.291   17.742  116.584   18.391 -3.293327 25.55379 
1 1 1  -16   58    7 o  170.227   10.307  102.067   12.086   98.683   18.449  104.612   15.997  165.202   16.350  171.245   13.610 -6.042557 21.27322 
1 1 1  -16   58    8 o   49.727   19.364   6.1311   9.5934   4.0621   12.533   9.0588   14.909   51.909   21.452   60.555   23.970 -8.645641 32.16727 
1 1 1  -16   58    9 o   79.123   18.169   23.678   9.7401   13.272   13.253   35.899   14.363   63.467   23.179   96.352   22.019 -32.88489 31.97000 
1 1 1  -16   58   10 o   65.078   21.430   15.682   11.186   18.302   18.682   14.218   13.967   72.917   27.356   64.842   23.777 8.074997 36.24503 
1 1 1  -16   60    1 o   57.842   20.201   11.051   9.9526   9.7591   11.429   15.107   20.247   57.620   21.440   73.039   28.217 -15.41906 35.43834 
1 1 1  -16   60    2 o  115.645   13.033   47.758   10.250   42.430   12.067   61.561   19.422  107.842   16.707  127.960   22.764 -20.11732 28.23701 
1 1 1  -16   60    3 o  189.719   7.8517  125.483   10.310  140.085   13.902  107.641   15.368  199.730   10.090  174.199   12.837 25.53061 16.32772 
1 1 1  -16   60    4 o   80.755   20.734   24.660   11.648  -8.5171   19.841   42.107   14.388   53.970   24.491  106.034   20.346 -52.06386 31.83987 
1 1 1  -16   60    5 o   99.826   14.494   36.115   9.7211   21.705   13.243   52.950   14.315   75.977   23.119  120.082   17.759 -44.10590 29.15269 
1 1 1  -16   60    6 o  121.896   11.674   52.863   9.7281   58.690   13.764   47.048   13.751  127.048   16.009  112.732   18.248 14.31596 24.27491 
1 1 1  -16   60    7 o   70.273   21.524   18.545   11.454   16.033   13.417   25.298   21.994   67.478   23.461   83.147   29.935 -15.66888 38.03324 
1 1 1  -16   60    8 o  120.243   14.054   52.355   11.476   76.976   18.970   38.146   14.411  143.412   19.627   99.457   21.558 43.95534 29.15455 
1 1 1  -16   60    9 o   37.767   17.156  -4.7287   9.7687  -7.1435   14.029  -2.4560   13.610   44.427   20.327   47.156   20.923 -2.729870 29.17072 
1 1 1  -16   62    1 o   69.816   19.070   18.263   9.4754   37.938   12.594  -7.4014   14.384  100.973   18.710   45.528   20.734 55.44535 27.92836 
1 1 1  -16   62    2 o   47.031   18.751   4.5740   9.1839   9.0811   12.011  -1.7695   14.250   57.193   21.825   49.509   21.708 7.684376 30.78261 
1 1 1  -16   62    3 o   89.196   22.364   30.516   13.780   19.146   21.212   38.820   18.127   77.051   29.098   99.515   26.023 -22.46465 39.03738 
1 1 1  -16   62    4 o   34.620   15.986  -6.5646   8.9597 -13.3275   12.358   0.9298   13.009   37.663   17.830   49.621   21.247 -11.95786 27.73727 
1 1 1  -16   62    5 o   87.865   16.283   28.584   9.5377   46.857   13.733   11.556   13.257  112.290   18.301   61.489   23.049 50.80080 29.43062 
1 1 1  -16   62    6 o  178.887   8.3138  112.006   10.293  128.021   14.451   95.510   14.666  190.136   11.028  163.357   13.081 26.77888 17.10968 
1 1 1  -16   62    7 o  120.519   12.109   52.075   9.9642   50.783   13.625   53.562   14.609  116.922   17.364  119.750   18.200 -2.827553 25.15469 
1 1 1  -16   64    1 o  109.752   16.219   44.174   11.949   47.620   20.348   42.361   14.763  109.341   27.039  105.577   20.943 3.763817 34.20111 
1 1 1  -16   64    2 o  153.723   9.9907   83.385   10.572  103.902   14.466   59.866   15.488  170.848   12.316  127.240   18.097 43.60852 21.89048 
1 1 1  -16   64    3 o  100.040   14.715   36.519   9.8843   36.184   13.400   36.917   14.640   97.415   20.522   97.783   22.146 -0.3673325 30.19254 
1 1 1  -16   64    4 o  210.232   8.3286  154.747   12.118  144.790   14.582  176.976   21.788  202.430   10.443  221.938   14.260 -19.50742 17.67528 
1 1 1  -16   64    5 o  111.385   12.146   44.554   9.2114   44.929   12.602   44.124   13.498  109.977   17.112  108.286   18.686 1.690353 25.33737 
1 1 1  -16   66    1 o   87.583   19.510   29.352   11.524   16.117   17.991   38.558   15.006   70.361   26.744   99.442   22.347 -29.08110 34.85132 
1 1 1  -16   66    2 o   97.209   18.675   35.783   12.108   53.756   20.759   26.516   14.906  115.419   26.541   82.014   24.432 33.40461 36.07414 
1 1 1  -15    1    1 o  504.407   6.9365  880.935   24.216  872.195   34.168  889.756   34.325  501.761   9.8387  506.790   9.7861 -5.029053 13.87694 
1 1 1  -15    1    2 o  546.373   7.1779  1033.72   27.143  1045.85   38.682  1021.95   38.098  549.392   10.173  543.080   10.136 6.311707 14.36054 
1 1 1  -15    1    3 o   74.236   13.998   19.749   6.9284   22.588   9.8413   16.960   9.7558   79.038   18.344   68.958   19.546 10.07974 26.80547 
1 1 1  -15    1    4 o  854.663   6.6438  2529.28   39.299  2491.10   54.855  2569.54   56.330  847.939   9.3470  861.175   9.4509 -13.23663 13.29230 
1 1 1  -15    1    5 o  542.684   7.5894  1019.83   28.506  1019.83   28.506   0.0000   0.0000  542.684   7.5894  ?   ?  0.000000 7.589437 
1 1 1  -15    1    6 o  634.310   5.7554  1392.78   25.267  1377.88   35.414  1408.24   36.060  630.811   8.1115  637.720   8.1700 -6.909302 11.51289 
1 1 1  -15    1    7 o  597.749   8.1561  1237.11   33.743  1251.22   48.075  1223.42   47.372  600.992   11.558  594.278   11.517 6.713074 16.31661 
1 1 1  -15    1    8 o  190.848   8.0691  126.100   10.658   97.378   15.124  154.437   15.023  167.131   13.182  211.177   10.278 -44.04619 16.71552 
1 1 1  -15    1    9 o  435.709   6.6588  657.161   20.080  679.512   34.209  645.411   24.803  442.936   11.159  431.760   8.3001 11.17554 13.90742 
1 1 1  -15    1   10 f  163.382   12.367   93.017   13.880  111.219   22.472   81.788   17.650  178.074   18.503  152.618   16.998 25.45647 25.12594 
1 1 1  -15    1   12 o  514.925   6.8803  918.140   24.520  945.854   45.098  906.510   29.216  522.261   12.477  511.582   8.2515 10.67917 14.95836 
1 1 1  -15    1   14 o  396.993   6.1433  545.960   16.880  539.622   23.649  552.543   24.100  394.481   8.6620  399.170   8.7232 -4.689178 12.29322 
1 1 1  -15    1   15 o  204.406   9.1080  145.076   12.885  140.000   20.024  148.663   16.833  199.757   14.584  206.346   11.836 -6.589615 18.78307 
1 1 1  -15    1   16 o  204.347   8.2504  145.053   11.669  153.094   16.585  137.170   16.420  209.255   11.496  197.939   12.043 11.31635 16.64894 
1 1 1  -15    1   17 o  177.124   9.3048  109.558   11.367  113.292   16.146  105.888   16.005  179.343   13.098  173.269   13.452 6.074280 18.77538 
1 1 1  -15    1   18 o  131.589   12.623   61.374   11.355   57.098   15.850   65.882   16.276  125.061   18.902  134.851   17.879 -9.790184 26.01834 
1 1 1  -15    1   19 o  149.905   14.576   80.508   14.931   49.171   30.392   90.479   17.143  110.105   35.255  158.525   15.837 -48.42029 38.64869 
1 1 1  -15    1   20 o   47.005   19.583   2.7233   10.567  -4.6192   15.086   9.7959   14.806   48.429   21.720   61.010   23.971 -12.58170 32.34752 
1 1 1  -15    3    1 o  309.114   6.6567  330.833   14.241  315.659   19.722  347.366   20.586  301.863   9.4400  316.663   9.3930 -14.79968 13.31700 
1 1 1  -15    3    2 o  224.578   7.4506  174.657   11.581  164.976   15.846  185.756   16.966  218.189   10.493  231.521   10.588 -13.33130 14.90710 
1 1 1  -15    3    3 o  488.139   5.0616  824.873   17.100  803.432   23.828  847.643   24.556  481.668   7.1476  494.742   7.1713 -13.07379 10.12504 
1 1 1  -15    3    4 o  288.774   7.5955  288.802   15.181  288.802   15.181   0.0000   0.0000  288.774   7.5955  ?   ?  0.000000 7.595463 
1 1 1  -15    3    5 o  400.787   5.1897  556.040   14.396  581.499   20.677  532.091   20.055  409.799   7.2902  392.000   7.3918 17.79944 10.38199 
1 1 1  -15    3    6 o  283.325   5.9441  277.880   11.656  271.741   16.057  284.717   16.947  280.135   8.2817  286.740   8.5393 -6.604950 11.89565 
1 1 1  -15    3    7 o  770.796   6.4195  2056.67   34.247  2065.35   48.681  2048.16   48.187  772.298   9.1074  769.080   9.0528 3.218628 12.84124 
1 1 1  -15    3    8 o  848.140   9.6614  2490.90   56.713  2502.93   81.333  2479.51   79.121  849.906   13.827  845.945   13.514 3.960266 19.33386 
1 1 1  -15    3    9 f  870.816   8.0873  2625.39   48.742  2622.26   59.622  2631.71   84.637  870.200   9.8994  871.471   14.032 -1.271851 17.17277 
1 1 1  -15    3   10 o  163.587   9.6385   93.000   10.865  109.317   21.559   87.445   12.578  176.605   17.885  158.456   11.549 18.14882 21.28963 
1 1 1  -15    3   11 o  169.160   12.753   99.755   14.821  101.122   24.766   98.992   18.500  169.167   21.649  168.140   16.094 1.027664 26.97590 
1 1 1  -15    3   12 o  436.369   5.7483  659.247   17.361  658.244   24.481  660.260   24.624  435.941   8.1138  436.607   8.1486 -0.6653748 11.49929 
1 1 1  -15    3   14 f  373.703   11.098  484.927   28.705   0.0000   0.0000  484.927   28.705  ?   ?   373.703   11.098 0.000000 11.09828 
1 1 1  -15    3   15 o  111.977   14.117   44.419   10.698   50.933   14.917   37.523   15.350  119.092   18.715  101.170   22.503 17.92123 29.26873 
1 1 1  -15    3   16 o  101.900   15.492   37.208   10.582   47.604   14.939   26.740   14.991  114.567   19.542   85.357   24.242 29.21030 31.13743 
1 1 1  -15    3   17 o   96.343   16.059   33.562   10.331   40.975   14.582   26.090   14.639  105.457   20.718   83.934   23.996 21.52316 31.70246 
1 1 1  -15    3   18 f  257.342   9.2512  231.079   16.477  222.950   18.736  258.829   34.617  252.419   10.724  268.357   18.756 -15.93825 21.60577 
1 1 1  -15    3   19 o   94.640   18.260   33.255   11.527   33.956   15.977   32.494   16.647   93.897   24.372   91.735   25.368 2.161957 35.17840 
1 1 1  -15    3   20 o   47.821   19.905   2.9245   10.904   4.3034   15.879   1.6942   14.999   56.905   23.879   53.313   22.821 3.591782 33.03048 
1 1 1  -15    5    1 o  367.395   6.6283  467.358   16.854  433.854   22.917  506.829   24.875  353.887   9.3567  382.491   9.3963 -28.60452 13.26040 
1 1 1  -15    5    2 f  235.964   6.1198  192.775   9.9945  183.711   12.139  211.854   17.611  230.318   7.6149  247.254   10.291 -16.93533 12.80221 
1 1 1  -15    5    3 o  444.600   7.0499  684.520   21.693  684.520   21.693   0.0000   0.0000  444.600   7.0499  ?   ?  0.000000 7.049861 
1 1 1  -15    5    4 o  147.503   8.1635   75.588   8.3016   47.922   11.400  106.826   12.113  116.638   14.429  175.296   10.026 -58.65817 17.57046 
1 1 1  -15    5    5 o  205.504   6.6658  146.216   9.4809  149.793   13.191  142.392   13.637  207.958   9.1645  202.744   9.7181 5.213699 13.35778 
1 1 1  -15    5    6 o  534.596   6.2649  989.354   23.180  989.398   28.577  989.268   39.634  534.560   7.7240  534.393   10.716 0.1669922 13.20964 
1 1 1  -15    5    7 o  532.512   5.5688  981.538   20.524  1012.03   29.584  953.240   28.498  540.657   7.9061  524.719   7.8470 15.93793 11.13921 
1 1 1  -15    5    8 o  1133.91   9.6298  4452.17   75.574  4569.27  135.273  4399.04   91.120  1147.96   17.026  1126.95   11.682 21.00696 20.64836 
1 1 1  -15    5    9 o  368.127   6.7295  469.114   17.146  490.732   29.067  457.578   21.233  376.411   11.157  363.540   8.4390 12.87061 13.98942 
1 1 1  -15    5   10 o  517.349   6.8470  926.582   24.517  924.390   40.845  927.816   30.652  516.557   11.425  517.637   8.5558 -1.079712 14.27328 
1 1 1  -15    5   11 o  416.058   6.0778  599.276   17.502  559.512   34.047  613.557   20.404  401.776   12.244  420.959   7.0032 -19.18375 14.10511 
1 1 1  -15    5   12 o  497.338   8.3581  856.771   28.770   0.0000   0.0000  856.771   28.770  ?   ?   497.338   8.3581 0.000000 8.358111 
1 1 1  -15    5   13 o  537.722   7.1017  1001.54   26.430  1013.17   47.440  996.311   31.827  540.278   12.687  536.200   8.5761 4.078308 15.31340 
1 1 1  -15    5   14 o  206.645   8.5546  148.079   12.235  162.358   17.417  134.168   17.191  215.871   11.701  196.044   12.739 19.82634 17.29721 
1 1 1  -15    5   15 o  240.335   7.4139  200.342   12.332  228.227   17.669  173.855   17.220  256.280   9.9613  223.565   11.129 32.71487 14.93608 
1 1 1  -15    5   16 o   53.288   20.630   6.6250   10.841   13.868   15.940   0.3917   14.787   68.893   25.380   53.298   22.733 15.59494 34.07248 
1 1 1  -15    5   17 o  101.995   15.695   37.467   10.724   46.234   14.858   27.931   15.496  112.418   19.820   86.678   24.657 25.73993 31.63507 
1 1 1  -15    5   18 o  146.221   11.112   75.299   11.162   70.914   15.641   79.850   15.933  140.435   16.401  149.365   15.644 -8.930328 22.66609 
1 1 1  -15    5   19 o  209.669   8.6259  153.561   12.517  128.691   17.349  180.564   18.078  190.311   13.254  226.233   11.585 -35.92207 17.60327 
1 1 1  -15    5   20 o   78.778   25.570   23.701   15.947   16.571   30.253   26.444   18.765   80.678   33.334   82.958   27.773 -2.280365 43.38743 
1 1 1  -15    7    1 o  372.806   6.6825  481.241   17.243  427.854   22.859  551.707   26.262  351.420   9.3986  399.050   9.5089 -47.62997 13.36984 
1 1 1  -15    7    2 o  163.686   6.9451   92.780   7.8680   87.783   10.638   98.816   11.691  158.870   9.7212  168.566   10.067 -9.695923 13.99433 
1 1 1  -15    7    3 o  353.445   5.0080  432.457   12.251  418.638   17.138  446.897   17.519  347.690   7.1219  359.236   7.0460 -11.54590 10.01838 
1 1 1  -15    7    4 o  464.906   5.1172  748.205   16.466  745.648   23.182  750.808   23.391  464.036   7.2180  465.637   7.2583 -1.601318 10.23633 
1 1 1  -15    7    5 o   44.342   17.635   3.4721   8.1045   6.7227   11.281   0.0054   11.651   54.661   21.078   47.610   20.239 7.051422 29.22182 
1 1 1  -15    7    6 o  240.927   9.0777  201.016   15.137  213.756   21.902  189.366   20.944  248.028   12.803  233.392   13.017 14.63634 18.25812 
1 1 1  -15    7    7 o  745.937   6.3163  1926.10   32.609  2023.51   47.702  1840.65   44.679  764.450   9.0160  729.099   8.8540 35.35162 12.63648 
1 1 1  -15    7    8 f  202.504   8.4693  141.979   11.870   0.0000   0.0000  141.979   11.870  ?   ?   202.504   8.4693 0.000000 8.469291 
1 1 1  -15    7    9 o  818.781   6.6502  2320.69   37.686  2232.68   72.546  2353.21   44.104  802.752   13.057  824.454   7.7292 -21.70197 15.17349 
1 1 1  -15    7   10 o  503.745   8.2993  878.668   28.935  877.073   39.637  880.488   42.338  503.157   11.382  504.098   12.135 -0.9403381 16.63751 
1 1 1  -15    7   11 o  130.337   13.009   59.480   11.578   45.132   23.213   64.232   13.358  111.690   29.565  135.316   14.489 -23.62500 32.92463 
1 1 1  -15    7   12 o  932.574   7.4251  3011.96   47.925  2924.88   93.186  3043.28   55.882  917.966   14.667  937.285   8.6143 -19.31854 17.00981 
1 1 1  -15    7   13 o  514.423   6.6108  916.542   23.537  904.815   29.144  938.537   39.912  511.002   8.2405  520.162   11.086 -9.160278 13.81343 
1 1 1  -15    7   14 o  276.104   6.9829  264.187   13.344  266.120   18.424  262.054   19.353  276.935   9.6122  274.767   10.177 2.168396 13.99849 
1 1 1  -15    7   15 o  293.719   6.8066  299.135   13.837  308.077   19.201  289.474   19.958  297.819   9.3151  288.608   9.9916 9.211548 13.66024 
1 1 1  -15    7   16 o   46.057   19.210   1.7324   10.185  -4.7755   14.123   8.7836   14.701   47.762   21.246   61.548   23.970 -13.78619 32.03065 
1 1 1  -15    7   17 o   61.704   22.900   10.974   13.022   2.2806   14.257   54.732   31.987   53.859   22.615  118.776   35.883 -64.91678 42.41518 
1 1 1  -15    7   18 o  198.554   8.6690  137.449   11.913  144.803   17.081  130.485   16.623  202.700   12.233  192.286   12.560 10.41394 17.53263 
1 1 1  -15    7   19 o  116.084   14.290   48.509   11.238   28.953   15.010   73.456   16.954   86.858   24.114  141.938   17.638 -55.07925 29.87609 
1 1 1  -15    7   20 o   79.722   19.473   24.233   10.652   20.340   14.937   28.262   15.195   73.913   24.779   84.963   24.494 -11.04993 34.84183 
1 1 1  -15    9    1 o  335.653   5.5778  390.043   12.958  345.610   21.073  417.056   16.431  315.823   9.6407  347.044   6.8408 -31.22153 11.82112 
1 1 1  -15    9    2 o  506.850   5.1205  889.334   17.963  805.556   23.920  997.666   27.201  482.302   7.1659  536.731   7.3223 -54.42938 10.24533 
1 1 1  -15    9    3 f  895.997   6.8603  2779.94   42.543  2627.76   57.085  2970.06   63.804  870.875   9.4709  925.803   9.9575 -54.92731 13.74227 
1 1 1  -15    9    4 o  567.363   5.4069  1114.34   21.232  1090.33   29.520  1140.07   30.560  561.124   7.6011  573.774   7.6955 -12.64996 10.81651 
1 1 1  -15    9    5 o  291.941   6.3709  295.059   12.873  303.867   16.121  279.561   21.385  296.235   7.8627  284.062   10.877 12.17319 13.42139 
1 1 1  -15    9    6 o  127.367   10.634   56.582   9.2886   62.765   13.236   50.583   13.038  133.773   14.530  119.695   16.151 14.07850 21.72481 
1 1 1  -15    9    7 o  850.073   6.7726  2501.51   39.846  2585.13   57.947  2426.50   54.881  864.016   9.6902  837.100   9.4725 26.91571 13.55095 
1 1 1  -15    9    8 o  957.776   7.3212  3175.63   48.531  3070.24   93.544  3214.44   56.769  941.275   14.359  963.551   8.5126 -22.27631 16.69266 
1 1 1  -15    9    9 o  798.023   7.5851  2204.74   41.894   0.0000   0.0000  2204.74   41.894  ?   ?   798.023   7.5851 0.000000 7.585144 
1 1 1  -15    9   10 o  395.852   7.0931  542.509   19.433  536.585   31.379  546.195   24.751  393.541   11.521  397.140   9.0048 -3.599457 14.62235 
1 1 1  -15    9   11 f  657.562   7.3418  1497.22   33.413  1565.85   57.452  1462.13   41.074  672.090   12.351  649.704   9.1342 22.38672 15.36169 
1 1 1  -15    9   12 o  706.037   7.6616  1726.52   37.439  1656.10   60.896  1769.31   47.471  690.972   12.734  714.561   9.5986 -23.58954 15.94617 
1 1 1  -15    9   13 o  132.294   12.095   61.246   10.952   71.559   15.200   50.112   15.794  142.605   15.658  118.271   20.009 24.33413 25.40693 
1 1 1  -15    9   14 o  172.854   11.807  104.316   14.041  127.561   27.308   95.962   16.371  189.567   21.175  165.377   14.448 24.18979 25.63455 
1 1 1  -15    9   15 o  185.490   8.8994  119.481   11.425  112.665   15.942  126.678   16.382  179.321   12.932  190.271   12.510 -10.94962 17.99230 
1 1 1  -15    9   16 o  145.788   13.957   75.058   13.911   72.264   15.280   88.585   33.618  142.632   15.741  152.625   32.801 -9.993240 36.38283 
1 1 1  -15    9   17 o   98.686   17.202   35.411   11.322   34.327   16.787   36.315   15.334   95.536   25.073   98.576   22.911 -3.039864 33.96410 
1 1 1  -15    9   18 o  125.856   12.935   56.300   11.107   34.932   15.638   78.053   15.778   95.961   23.689  147.581   15.688 -51.62056 28.41258 
1 1 1  -15    9   19 o   49.365   20.225   3.8420   11.019   0.0429   13.937   10.176   17.995   50.564   21.826   65.608   26.218 -15.04407 34.11355 
1 1 1  -15    9   20 o  128.029   12.505   58.726   10.940   52.916   15.089   65.163   15.883  118.889   18.976  132.767   17.728 -13.87776 25.96828 
1 1 1  -15   11    1 o  194.294   7.0428  130.727   9.4706  122.439   15.485  135.679   11.970  187.530   11.994  197.902   8.7393 -10.37268 14.83999 
1 1 1  -15   11    2 o  810.196   6.4036  2272.85   35.908  2131.90   47.946  2452.89   54.188  784.475   8.8307  841.413   9.3051 -56.93793 12.82832 
1 1 1  -15   11    3 o  1041.96   7.6675  3759.83   55.294  3659.97   76.111  3871.45   80.467  1027.67   10.701  1056.90   11.000 -29.23132 15.34650 
1 1 1  -15   11    4 o  732.789   6.0671  1858.98   30.770  1841.90   43.191  1876.59   43.848  729.272   8.5571  736.103   8.6067 -6.831604 12.13670 
1 1 1  -15   11    5 o  643.919   8.1417  1435.73   36.285  1402.44   50.858  1470.24   51.784  636.214   11.550  651.417   11.486 -15.20264 16.28863 
1 1 1  -15   11    6 o  877.582   6.8722  2666.15   41.741  2716.22   60.069  2619.39   58.044  885.615   9.8000  869.696   9.6431 15.91870 13.74877 
1 1 1  -15   11    7 o  435.317   6.1703  655.952   18.590  628.781   30.662  671.746   23.377  426.103   10.397  440.495   7.6678 -14.39215 12.91881 
1 1 1  -15   11    8 o  1052.22   7.8372  3832.96   57.074  3828.29  113.413  3834.54   66.047  1050.94   15.592  1052.36   9.0680 -1.420288 18.03741 
1 1 1  -15   11    9 o  591.224   8.3410  1210.25   34.131   0.0000   0.0000  1210.25   34.131  ?   ?   591.224   8.3410 0.000000 8.341038 
1 1 1  -15   11   10 o  481.230   6.5912  801.729   21.953  842.439   39.022  782.878   26.554  493.097   11.434  475.491   8.0687 17.60590 13.99432 
1 1 1  -15   11   11 o  279.991   8.9855  271.548   17.413  251.122   27.075  285.957   22.739  268.649   14.616  287.238   11.438 -18.58932 18.55975 
1 1 1  -15   11   12 o  826.399   7.9945  2365.63   45.725  2310.73   77.443  2395.01   56.655  815.989   13.713  831.307   9.8469 -15.31891 16.88188 
1 1 1  -15   11   13 o  242.495   8.4170  203.801   14.127  221.024   29.424  198.642   16.104  251.386   17.012  239.346   9.7214 12.04001 19.59344 
1 1 1  -15   11   14 o  287.537   9.8093  286.999   19.521  286.999   19.521   0.0000   0.0000  287.537   9.8093  ?   ?  0.000000 9.809287 
1 1 1  -15   11   15 o  289.197   6.7303  290.022   13.471  288.266   18.695  291.919   19.428  288.040   9.3777  289.820   9.6856 -1.780334 13.48155 
1 1 1  -15   11   16 o  108.287   18.208   42.463   13.162   40.606   14.319   52.585   33.431  105.311   20.382  117.968   36.879 -12.65747 42.13603 
1 1 1  -15   11   17 o   67.662   20.511   16.539   10.439   10.825   14.712   22.331   14.813   63.486   24.171   78.461   24.552 -14.97483 34.45343 
1 1 1  -15   11   18 o  158.191   10.647   88.002   11.589   98.542   15.886   76.010   16.944  166.532   13.910  145.063   17.212 21.46899 22.13016 
1 1 1  -15   11   19 o   83.488   18.850   26.178   10.634   22.741   14.751   29.897   15.344   77.836   24.524   88.047   24.357 -10.21167 34.56440 
1 1 1  -15   11   20 o   63.690   20.404   14.963   10.179   30.564   13.950  -2.8049   14.887   88.481   22.675   49.295   21.876 39.18622 31.50759 
1 1 1  -15   13    1 o  402.837   4.9370  561.756   13.765  496.255   18.419  644.601   20.715  378.560   7.0301  431.451   6.9371 -52.89093 9.876525 
1 1 1  -15   13    2 o  147.132   7.8799   75.187   7.9951   69.581   11.021   81.413   11.615  141.228   11.372  152.866   11.053 -11.63841 15.85853 
1 1 1  -15   13    3 o  249.362   5.7100  215.263   9.8548  196.129   13.645  236.123   14.248  237.973   8.2847  261.121   7.8836 -23.14839 11.43628 
1 1 1  -15   13    4 o  310.795   10.521  334.634   22.630   0.0000   0.0000  334.634   22.630  ?   ?   310.795   10.521 0.000000 10.52052 
1 1 1  -15   13    5 o  486.030   6.2161  817.745   20.910  797.201   25.056  864.878   37.952  479.849   7.5446  499.665   10.974 -19.81668 13.31766 
1 1 1  -15   13    6 o  1129.83   8.2223  4419.71   64.296  4387.32  126.926  4430.90   74.572  1124.85   16.303  1131.16   9.5252 -6.309570 18.88196 
1 1 1  -15   13    7 o  1031.13   8.8849  3681.35   63.408  3700.49  109.500  3671.70   77.775  1033.27   15.312  1029.64   10.914 3.629150 18.80318 
1 1 1  -15   13    8 f  368.412   5.5397  469.790   14.125  428.780   26.811  485.546   16.619  351.857   11.010  374.525   6.4111 -22.66824 12.74037 
1 1 1  -15   13    9 o  459.807   6.5679  731.887   20.902   0.0000   0.0000  731.887   20.902  ?   ?   459.807   6.5679 0.000000 6.567877 
1 1 1  -15   13   10 o  480.854   5.8362  800.419   19.423  820.976   39.200  793.731   22.361  486.748   11.636  478.813   6.7476 7.934540 13.45082 
1 1 1  -15   13   11 o  314.908   8.4638  343.477   18.447  366.732   29.416  328.403   23.683  325.195   13.069  307.822   11.116 17.37302 17.15751 
1 1 1  -15   13   12 o  175.196   11.125  106.855   13.419  123.707   27.175  101.420   15.432  187.202   21.356  170.451   13.184 16.75122 25.09762 
1 1 1  -15   13   13 o  394.038   6.6432  537.851   18.117  581.951   37.428  524.356   20.704  409.265   13.213  388.997   7.6902 20.26801 15.28843 
1 1 1  -15   13   14 o  230.315   7.5614  183.926   12.053  189.139   16.801  178.398   17.301  233.352   10.403  226.577   11.033 6.774704 15.16386 
1 1 1  -15   13   15 o  150.116   20.618   80.951   20.856   66.390   27.480  100.732   32.029  133.108   30.484  165.150   29.083 -32.04138 42.13235 
1 1 1  -15   13   16 f  160.090   9.9852   89.593   11.008   75.035   14.930  106.937   16.296  145.461   15.048  174.247   13.621 -28.78641 20.29673 
1 1 1  -15   13   17 o   51.241   20.162   5.7116   10.490  -4.6566   15.348   14.801   14.370   49.808   22.153   67.936   24.224 -18.12769 32.82605 
1 1 1  -15   13   18 o   37.278   17.511 -11.3664   11.506 -21.2537   15.735  -0.0044   16.868   40.454   19.417   55.590   24.003 -15.13624 30.87331 
1 1 1  -15   13   19 o   88.347   19.009   29.317   11.278   34.094   14.734   22.556   17.528   94.196   22.837   78.562   26.839 15.63411 35.23973 
1 1 1  -15   13   20 o   83.034   20.444   26.573   11.671   21.020   14.565   36.532   19.506   74.417   24.451   94.853   27.871 -20.43540 37.07649 
1 1 1  -15   15    1 o  502.608   5.1085  874.468   17.770  816.379   24.169  942.830   26.219  485.552   7.1918  521.800   7.2599 -36.24786 10.21902 
1 1 1  -15   15    2 o  330.677   5.1331  378.515   11.748  345.942   15.994  416.681   17.313  316.080   7.3110  346.898   7.2108 -30.81747 10.26869 
1 1 1  -15   15    3 o  295.724   5.4802  302.727   11.217  280.901   15.413  327.299   16.354  284.819   7.8189  307.446   7.6855 -22.62698 10.96372 
1 1 1  -15   15    4 o  301.037   10.199  313.902   21.249   0.0000   0.0000  313.902   21.249  ?   ?   301.037   10.199 0.000000 10.19869 
1 1 1  -15   15    5 o  216.742   6.3907  162.620   9.5866  181.171   18.119  155.408   11.297  228.399   11.499  211.865   7.7045 16.53331 13.84146 
1 1 1  -15   15    6 o  199.332   6.9881  137.547   9.6408  132.390   17.796  139.689   11.470  195.022   13.263  200.865   8.2504 -5.842361 15.61990 
1 1 1  -15   15    7 o  1080.59   7.9608  4042.48   59.538  3991.71  116.798  4060.30   69.204  1073.13   15.726  1082.89   9.2336 -9.761230 18.23607 
1 1 1  -15   15    8 o  1447.17   11.734  7254.36  117.524  7209.76  201.369  7277.40  144.730  1441.36   20.186  1449.11   14.431 -7.745728 24.81330 
1 1 1  -15   15    9 o  637.503   6.9504  1406.97   30.667   0.0000   0.0000  1406.97   30.667  ?   ?   637.503   6.9504 0.000000 6.950383 
1 1 1  -15   15   10 o  1148.33   9.7745  4567.84   77.685   0.0000   0.0000  4567.84   77.685  ?   ?   1148.33   9.7745 0.000000 9.774492 
1 1 1  -15   15   11 o  870.923   8.1032  2627.11   48.844  2748.78   87.883  2572.72   58.754  890.065   14.266  861.685   9.8518 28.37964 17.33724 
1 1 1  -15   15   12 o  147.538   12.847   76.108   12.987  100.098   26.802   68.747   14.847  167.654   23.764  139.798   15.611 27.85596 28.43285 
1 1 1  -15   15   13 o   92.384   20.564   31.002   12.810   37.049   26.959   29.239   14.559  103.185   33.222   89.660   23.262 13.52546 40.55624 
1 1 1  -15   15   14 o  300.063   7.4018  312.209   15.372  351.805   33.156  301.367   17.349  317.517   15.087  294.712   8.5055 22.80527 17.31969 
1 1 1  -15   15   15 o   89.335   17.410   28.966   10.377   37.465   13.003   14.059   17.222  101.519   19.210   70.634   26.311 30.88477 32.57777 
1 1 1  -15   15   16 o  256.396   6.4104  228.117   11.376  229.639   13.314  224.000   21.895  257.123   7.4813  253.106   12.498 4.017014 14.56646 
1 1 1  -15   15   17 o   47.449   19.654   2.5354   10.556   3.6562   13.809   0.9600   16.371   54.330   22.490   55.951   23.893 -1.621235 32.81308 
1 1 1  -15   15   18 o  198.724   7.8000  137.587   10.728  144.787   12.629  118.927   20.331  203.639   8.9608  182.045   16.309 21.59409 18.60902 
1 1 1  -15   15   19 o   60.466   19.159   13.238   8.9938   15.444   10.477   7.0634   17.532   65.036   20.687   61.927   25.458 3.109127 32.80335 
1 1 1  -15   15   20 o  170.848   8.8759  102.752   10.459  108.355   12.206   87.268   20.290  175.017   10.120  152.424   19.694 22.59299 22.14185 
1 1 1  -15   17    1 o  497.720   5.1135  857.504   17.615  826.361   24.404  891.376   25.451  488.531   7.2177  507.384   7.2476 -18.85294 10.22854 
1 1 1  -15   17    2 o  453.900   7.2550  713.337   22.792   0.0000   0.0000  713.337   22.792  ?   ?   453.900   7.2550 0.000000 7.255015 
1 1 1  -15   17    3 o  925.078   10.038  2964.17   64.270   0.0000   0.0000  2964.17   64.270  ?   ?   925.078   10.038 0.000000 10.03819 
1 1 1  -15   17    4 o  279.934   6.3884  271.271   12.377  226.098   19.802  300.234   15.856  255.476   11.199  294.475   7.7799 -38.99898 13.63633 
1 1 1  -15   17    5 o  415.533   6.0423  597.690   17.377  549.756   27.564  629.310   22.387  398.429   9.9956  426.350   7.5867 -27.92093 12.54868 
1 1 1  -15   17    6 o  166.683   8.1938   96.189   9.4527   94.780   17.080   96.811   11.349  164.674   15.156  166.912   9.8681 -2.238190 18.08557 
1 1 1  -15   17    7 o  381.738   5.5199  504.388   14.584  458.000   26.493  524.556   17.469  363.663   10.526  389.280   6.4838 -25.61639 12.36262 
1 1 1  -15   17    8 o  204.792   9.1362  145.224   12.950  152.342   20.235  140.286   16.853  209.193   14.057  200.865   12.180 8.328247 18.59996 
1 1 1  -15   17    9 o  672.613   6.1295  1566.11   28.534  1522.44   54.950  1582.24   33.389  662.855   11.978  676.027   7.1361 -13.17230 13.94233 
1 1 1  -15   17   10 o  1252.93   10.464  5439.15   90.740   0.0000   0.0000  5439.15   90.740  ?   ?   1252.93   10.464 0.000000 10.46388 
1 1 1  -15   17   11 o  338.987   6.6631  397.907   15.633  448.829   31.991  381.932   17.918  359.724   12.849  332.075   7.7960 27.64899 15.02936 
1 1 1  -15   17   12 o  115.239   31.712   48.273   26.089   48.273   26.089   0.0000   0.0000  115.239   31.712  ?   ?  0.000000 31.71222 
1 1 1  -15   17   13 o  252.140   7.3857  220.331   12.889  252.870   17.764  184.159   18.729  269.985   9.5064  229.950   11.808 40.03499 15.15922 
1 1 1  -15   17   14 o  258.585   8.8385  232.109   15.818  236.409   17.771  215.707   34.707  260.873   9.8427  246.818   20.503 14.05547 22.74297 
1 1 1  -15   17   15 o  100.974   13.386   36.223   9.1245   31.679   10.580   49.415   18.027   93.581   16.959  115.906   23.280 -22.32555 28.80220 
1 1 1  -15   17   16 o   83.406   19.011   25.623   10.730   27.043   13.846   23.488   16.978   85.369   22.942   81.270   26.384 4.099251 34.96356 
1 1 1  -15   17   17 o   54.194   18.819   9.5475   8.6309   9.3053   10.020   10.244   16.989   55.504   20.172   65.395   25.682 -9.890511 32.65715 
1 1 1  -15   17   18 o  128.481   10.727   58.269   9.4514   52.277   10.948   75.805   18.728  120.997   13.292  143.831   19.300 -22.83423 23.43416 
1 1 1  -15   17   19 o   66.430   19.420   16.486   9.4922   11.769   11.091   29.400   18.352   59.679   21.281   87.001   27.345 -27.32155 34.64994 
1 1 1  -15   17   20 o  150.883   11.630   81.289   12.051   81.289   12.051   0.0000   0.0000  150.883   11.630  ?   ?  0.000000 11.62956 
1 1 1  -15   19    1 f  711.848   5.9485  1754.14   29.307  1648.69   39.472  1883.69   43.751  690.015   8.2651  737.537   8.5710 -47.52155 11.90687 
1 1 1  -15   19    2 o  401.329   5.1038  557.504   14.176  535.146   19.997  580.093   20.100  393.150   7.3491  409.334   7.0949 -16.18427 10.21504 
1 1 1  -15   19    3 o  1057.51   8.9695  3872.62   65.650  3712.68  109.050  3963.54   82.217  1034.80   15.226  1069.66   11.106 -34.86670 18.84605 
1 1 1  -15   19    4 o  1180.97   8.5003  4829.08   69.479  4823.42  138.038  4831.01   80.407  1179.33   16.912  1181.10   9.8362 -1.771484 19.56413 
1 1 1  -15   19    5 f  1053.92   7.7797  3845.44   56.748  3727.32  109.195  3889.14   66.422  1037.00   15.214  1059.82   9.0553 -22.81836 17.70506 
1 1 1  -15   19    6 o  723.779   7.0722  1813.43   35.427  1673.66   56.475  1904.12   45.491  695.125   11.739  741.586   8.8631 -46.46136 14.70888 
1 1 1  -15   19    7 o  362.584   6.6104  455.086   16.589  470.390   27.286  446.113   20.893  368.541   10.697  358.958   8.4098 9.583008 13.60735 
1 1 1  -15   19    8 o  940.629   8.4122  3063.55   54.765  3233.66   97.880  2986.03   66.076  965.846   14.642  928.524   10.282 37.32208 17.89173 
1 1 1  -15   19    9 o  1026.30   7.7681  3647.09   55.178  3661.95  109.561  3642.04   63.869  1027.51   15.406  1025.48   8.9987 2.024414 17.84164 
1 1 1  -15   19   10 o  345.190   8.5680  412.709   20.470   0.0000   0.0000  412.709   20.470  ?   ?   345.190   8.5680 0.000000 8.568047 
1 1 1  -15   19   11 o  280.607   6.6581  272.667   12.931  260.823   17.629  286.459   19.024  274.359   9.2842  287.515   9.5600 -13.15634 13.32629 
1 1 1  -15   19   12 o  144.710   10.830   73.045   10.769   56.682   14.362   94.060   16.276  126.525   16.817  163.881   14.499 -37.35543 22.20426 
1 1 1  -15   19   13 o  251.334   7.2359  218.946   12.587  221.865   17.168  215.554   18.508  252.837   9.8109  249.143   10.734 3.693283 14.54174 
1 1 1  -15   19   14 o   90.318   21.519   29.911   13.260   52.829   25.172   21.108   15.601  118.999   30.440   78.058   25.287 40.94153 39.57312 
1 1 1  -15   19   15 o  186.445   9.4377  121.206   12.139  121.433   15.353  120.829   19.826  186.194   11.977  184.951   15.635 1.243225 19.69516 
1 1 1  -15   19   16 o  165.518   14.314   96.919   16.237  119.561   29.915   87.463   19.332  180.473   24.589  156.099   18.238 24.37360 30.61450 
1 1 1  -15   19   17 o  139.751   9.7588   68.518   9.3798   69.312   10.757   66.000   19.157  140.269   11.174  133.780   21.413 6.488831 24.15262 
1 1 1  -15   19   18 o   75.746   17.673   21.379   9.0955   26.787   10.455   4.5429   18.447   84.767   18.352   61.329   25.737 23.43882 31.60944 
1 1 1  -15   19   19 o  132.082   10.886   61.860   9.8629   63.778   11.286   55.659   20.292  133.679   12.337  119.252   25.366 14.42635 28.20710 
1 1 1  -15   19   20 o   56.327   20.288   10.626   10.104   8.6933   11.579   16.795   20.687   55.266   21.342   72.436   28.372 -17.17006 35.50316 
1 1 1  -15   21    1 o  198.666   7.6659  136.650   10.541   95.268   17.612  159.744   13.157  165.022   15.605  214.782   8.8509 -49.75992 17.94070 
1 1 1  -15   21    2 o  785.979   8.9719  2139.18   48.806   0.0000   0.0000  2139.18   48.806  ?   ?   785.979   8.9719 0.000000 8.971940 
1 1 1  -15   21    3 o  592.092   5.4978  1213.45   22.530  1224.39   44.411  1209.67   26.144  594.562   10.792  591.143   6.3899 3.418762 12.54209 
1 1 1  -15   21    4 o  353.684   5.2767  432.975   12.917  394.537   23.896  448.842   15.353  337.529   10.229  360.094   6.1603 -22.56454 11.94079 
1 1 1  -15   21    5 o  790.059   6.3903  2160.64   34.943  2102.93   67.208  2182.02   40.906  779.141   12.463  793.920   7.4445 -14.77930 14.51726 
1 1 1  -15   21    6 o  942.536   7.2145  3075.34   47.063  2906.34   88.303  3142.40   55.621  915.840   13.931  952.696   8.4355 -36.85583 16.28583 
1 1 1  -15   21    7 o  239.490   6.7526  198.547   11.193  192.293   20.378  201.249   13.394  235.258   12.561  241.097   8.0267 -5.839615 14.90648 
1 1 1  -15   21    8 o  300.394   6.3640  312.378   13.231  265.268   24.504  331.765   15.720  276.670   12.797  309.557   7.3372 -32.88684 14.75103 
1 1 1  -15   21    9 o  277.111   7.5363  265.898   14.454  252.146   25.401  272.483   17.577  269.321   13.672  280.484   9.0546 -11.16336 16.39832 
1 1 1  -15   21   10 o  102.397   16.674   37.347   11.410   13.312   17.713   54.394   14.917   71.273   26.657  123.850   17.924 -52.57687 32.12279 
1 1 1  -15   21   11 o  397.579   6.5913  547.398   18.137  539.512   29.036  552.444   23.226  394.479   10.635  399.318   8.4038 -4.839081 13.55461 
1 1 1  -15   21   12 o  337.266   6.1638  393.978   14.388  392.846   19.603  395.301   21.184  336.654   8.4133  337.660   9.0645 -1.006409 12.36724 
1 1 1  -15   21   13 o  345.410   7.4030  413.632   17.698  456.753   20.670  295.171   34.259  362.890   8.2296  290.137   17.137 72.75272 19.01024 
1 1 1  -15   21   14 o  101.724   15.881   37.057   10.815   36.835   14.136   37.371   16.797  100.360   21.024  100.603   24.379 -0.2428513 32.19247 
1 1 1  -15   21   15 o  138.900   12.615   67.945   11.995   87.366   17.350   50.161   16.602  156.852   16.216  117.129   21.263 39.72366 26.74041 
1 1 1  -15   21   16 o  125.683   10.872   55.567   9.3640   50.421   10.888   70.195   18.355  119.148   13.437  139.116   19.607 -19.96771 23.76952 
1 1 1  -15   21   17 o  123.557   13.910   54.484   11.688   54.984   14.514   53.561   19.715  123.063   17.536  118.904   24.761 4.159058 30.34197 
1 1 1  -15   21   18 o  110.289   12.351   43.405   9.2657   45.406   10.411   35.785   20.319  112.463   13.656   95.685   28.530 16.77784 31.62963 
1 1 1  -15   21   19 o   96.053   16.680   34.183   10.687   34.183   10.687   0.0000   0.0000   96.053   16.680  ?   ?  0.000000 16.68026 
1 1 1  -15   23    1 o  647.924   11.289  1454.15   50.626   0.0000   0.0000  1454.15   50.626  ?   ?   647.924   11.289 0.000000 11.28935 
1 1 1  -15   23    2 o  422.118   10.111  617.073   29.539  617.073   29.539   0.0000   0.0000  422.118   10.111  ?   ?  0.000000 10.11069 
1 1 1  -15   23    3 o  476.536   5.9144  786.039   19.507  800.488   33.995  778.946   23.818  480.782   10.216  474.353   7.2548 6.429138 12.53003 
1 1 1  -15   23    4 o  734.625   6.1236  1868.04   31.135  1821.95   60.289  1884.80   36.358  725.250   12.011  737.881   7.1194 -12.63135 13.96231 
1 1 1  -15   23    5 o  1052.38   7.7969  3834.11   56.790  3613.66  106.299  3922.17   67.181  1021.12   15.041  1064.32   9.1201 -43.19592 17.58999 
1 1 1  -15   23    6 o   65.655   20.284   14.896   10.147   21.498   15.879   10.339   13.192   79.619   25.483   62.212   23.057 17.40777 34.36547 
1 1 1  -15   23    7 o  611.339   5.8324  1293.68   24.678  1234.15   46.032  1317.70   29.234  596.892   11.143  616.955   6.8463 -20.06293 13.07777 
1 1 1  -15   23    8 o  609.311   8.0224  1285.55   33.831  1285.55   33.831   0.0000   0.0000  609.311   8.0224  ?   ?  0.000000 8.022395 
1 1 1  -15   23    9 o  763.769   7.4173  2019.97   39.209  1949.27   65.551  2059.36   48.926  749.832   12.631  771.050   9.1681 -21.21796 15.60752 
1 1 1  -15   23   10 o  579.649   6.6821  1163.46   26.808  1195.61   45.486  1146.35   33.183  587.271   11.191  575.271   8.3342 12.00037 13.95331 
1 1 1  -15   23   11 o   53.478   20.876   6.0168   11.171   11.795   16.258   0.8484   15.376   67.705   25.496   55.287   23.364 12.41758 34.58274 
1 1 1  -15   23   12 o  127.719   12.083   57.166   10.554   59.352   14.389   54.621   15.526  129.492   16.425  123.715   18.717 5.776772 24.90189 
1 1 1  -15   23   13 o   68.166   20.125   16.581   10.149   32.610   13.702  -2.9036   15.107   94.440   21.451   51.338   22.435 43.10202 31.04004 
1 1 1  -15   23   14 o  153.244   10.215   82.046   10.772   74.161   14.571   91.547   15.995  144.886   14.736  161.177   14.494 -16.29068 20.66917 
1 1 1  -15   23   15 o  144.091   15.935   73.873   15.626   86.390   27.274   67.756   19.065  152.543   26.812  136.598   20.825 15.94507 33.94886 
1 1 1  -15   23   16 o  100.798   12.949   36.207   8.8249   37.268   10.173   32.980   17.740  101.838   14.872   93.556   26.301 8.282349 30.21426 
1 1 1  -15   23   17 o   75.402   20.703   21.227   11.134   15.555   13.433   33.673   19.899   67.715   23.479   93.838   28.291 -26.12222 36.76495 
1 1 1  -15   23   18 o   96.572   14.550   33.851   9.4234   35.258   10.444   27.688   21.859   98.172   15.916   86.404   29.952 11.76745 33.91754 
1 1 1  -15   23   19 o  106.590   13.355   41.077   9.6362   38.746   10.816   50.049   21.216  102.643   15.727  111.229   27.672 -8.585625 31.82865 
1 1 1  -15   25    1 o  597.907   7.7050  1237.63   31.885   0.0000   0.0000  1237.63   31.885  ?   ?   597.907   7.7050 0.000000 7.705019 
1 1 1  -15   25    2 o  1165.43   9.7264  4703.19   78.454   0.0000   0.0000  4703.19   78.454  ?   ?   1165.43   9.7264 0.000000 9.726408 
1 1 1  -15   25    3 o  590.615   6.3422  1207.46   25.925  1132.19   43.347  1249.37   32.349  571.763   10.954  600.739   7.7803 -28.97607 13.43575 
1 1 1  -15   25    4 o  1173.85   9.8151  4771.41   79.742  4489.27  129.062  4945.62  101.414  1137.97   16.387  1194.87   12.263 -56.90320 20.46724 
1 1 1  -15   25    5 o  524.659   6.3505  952.842   23.060  928.781   38.019  966.847   29.005  517.864   10.607  528.460   7.9301 -10.59552 13.24397 
1 1 1  -15   25    6 o  363.689   5.6366  457.838   14.188  417.756   25.924  474.979   16.952  347.294   10.785  370.418   6.6125 -23.12415 12.65074 
1 1 1  -15   25    7 o  123.604   10.674   53.318   9.0417   41.060   11.770   70.967   14.123  107.592   16.318  142.333   14.541 -34.74105 21.85665 
1 1 1  -15   25    8 o  236.672   6.7371  193.932   11.036  176.669   14.689  216.299   16.721  225.842   9.3977  249.885   9.6679 -24.04305 13.48275 
1 1 1  -15   25   10 o  390.725   6.6824  528.681   18.071  584.878   30.583  498.535   22.399  410.739   10.758  379.339   8.5316 31.40036 13.73049 
1 1 1  -15   25   11 o  481.401   10.706  803.903   35.671  803.903   35.671   0.0000   0.0000  481.401   10.706  ?   ?  0.000000 10.70597 
1 1 1  -15   25   12 o  360.566   6.9991  450.562   17.467  458.980   20.479  428.098   33.455  363.824   8.1329  350.720   13.782 13.10400 16.00306 
1 1 1  -15   25   13 o   74.617   19.096   20.298   9.9027   34.173   13.362   3.3902   14.750   96.757   20.586   56.253   23.261 40.50426 31.06204 
1 1 1  -15   25   14 o   40.802   18.247  -4.3362   10.565  -2.0712   15.268  -6.4173   14.635   52.071   22.659   47.541   21.353 4.529831 31.13501 
1 1 1  -15   25   15 o  191.316   11.065  128.157   14.588  127.151   16.265  132.293   32.989  190.274   12.419  189.694   25.796 0.5801392 28.62955 
1 1 1  -15   25   16 o   85.495   17.658   26.887   10.102   29.372   13.493   23.715   15.240   88.554   22.089   80.374   24.863 8.180122 33.25751 
1 1 1  -15   25   17 o   85.973   15.963   27.080   9.1487   25.171   10.230   34.707   20.447   82.218   18.433   94.912   28.692 -12.69409 34.10304 
1 1 1  -15   25   18 o   45.937   19.690   0.4614   11.193   13.752   13.199 -33.5658   21.119   64.477   23.192   44.251   21.538 20.22551 31.65068 
1 1 1  -15   25   19 o   86.785   16.771   28.193   9.7089   29.949   11.134   22.620   19.834   88.796   18.708   78.446   28.400 10.35004 34.00769 
1 1 1  -15   27    1 o   81.448   19.693   23.939   10.979   6.3171   16.051   39.434   15.051   61.806   24.739  104.687   21.493 -42.88089 32.77139 
1 1 1  -15   27    2 o  912.074   13.944  2882.44   88.020  2882.44   88.020   0.0000   0.0000  912.074   13.944  ?   ?  0.000000 13.94355 
1 1 1  -15   27    3 o  687.628   8.4968  1637.05   40.438   0.0000   0.0000  1637.05   40.438  ?   ?   687.628   8.4968 0.000000 8.496827 
1 1 1  -15   27    4 o  599.420   6.6041  1243.77   27.398   0.0000   0.0000  1243.77   27.398  ?   ?   599.420   6.6041 0.000000 6.604147 
1 1 1  -15   27    5 o  849.655   7.8152  2499.37   45.958  2279.02   72.374  2648.25   59.492  811.021   12.894  874.480   9.8295 -63.45923 16.21309 
1 1 1  -15   27    6 o  412.408   5.3374  588.717   15.235  575.606   20.784  603.942   22.397  407.745   7.3648  417.651   7.7481 -9.905670 10.68985 
1 1 1  -15   27    7 o  923.195   7.1159  2950.88   45.468  2883.95   62.608  3025.58   66.139  912.449   9.9138  934.558   10.225 -22.10876 14.24222 
1 1 1  -15   27    8 o  735.554   7.2543  1873.45   36.931  1837.56   62.526  1892.68   45.767  728.042   12.409  739.201   8.9457 -11.15820 15.29717 
1 1 1  -15   27    9 o  518.059   5.6926  929.185   20.411  889.347   27.651  976.886   30.257  506.726   7.8842  531.058   8.2320 -24.33258 11.39847 
1 1 1  -15   27   10 o  405.537   10.514  570.244   29.510  570.244   29.510   0.0000   0.0000  405.537   10.514  ?   ?  0.000000 10.51393 
1 1 1  -15   27   11 o  616.321   6.8291  1316.01   29.131  1383.90   50.120  1281.37   35.798  631.363   11.470  607.965   8.5075 23.39777 14.28055 
1 1 1  -15   27   12 f  446.613   5.7270  691.033   17.702  709.319   25.012  672.677   25.059  452.242   7.9908  440.378   8.2216 11.86401 11.46506 
1 1 1  -15   27   13 o  200.577   8.2798  139.657   11.494  146.569   15.710  131.695   16.862  204.926   11.118  193.972   12.629 10.95439 16.82539 
1 1 1  -15   27   14 o  141.381   15.296   70.908   14.729   44.244   27.891   81.220   17.344  108.979   33.622  151.044   16.880 -42.06472 37.62145 
1 1 1  -15   27   15 f  122.557   12.226   53.064   10.232   57.841   14.169   47.857   14.792  126.995   16.511  114.558   19.345 12.43777 25.43309 
1 1 1  -15   27   16 o   79.177   19.279   23.316   10.466   36.397   14.311   8.2763   15.345   98.645   21.563   61.210   24.290 37.43586 32.48017 
1 1 1  -15   27   17 o   62.546   20.054   14.002   9.8308   14.002   9.8308   0.0000   0.0000   62.546   20.054  ?   ?  0.000000 20.05372 
1 1 1  -15   27   18 o   37.876   17.538  -8.1294   10.892  -8.3633   13.097  -7.6049   19.616   42.271   19.450   53.787   24.386 -11.51639 31.19304 
1 1 1  -15   27   19 o   68.734   19.833   18.084   9.9577   25.977   11.438  -6.6195   20.236   81.896   20.286   54.470   24.724 27.42529 31.98116 
1 1 1  -15   29    1 o  251.956   6.8866  219.753   12.009  218.488   21.503  220.327   14.477  251.141   12.371  252.267   8.2917 -1.126144 14.89287 
1 1 1  -15   29    2 o  673.277   6.8425  1569.18   31.885  1385.37   49.852  1696.44   41.478  632.436   11.389  699.982   8.5616 -67.54541 14.24820 
1 1 1  -15   29    3 o  467.410   6.2424  756.245   20.194  654.634   31.934  823.953   26.068  434.763   10.613  487.850   7.7204 -53.08649 13.12383 
1 1 1  -15   29    4 o  168.609   10.119   98.810   11.754   0.0000   0.0000   98.810   11.754  ?   ?   168.609   10.119 0.000000 10.11923 
1 1 1  -15   29    5 o  969.606   8.4904  3255.38   56.977  3118.54   94.864  3332.61   71.263  948.459   14.451  980.880   10.497 -32.42194 17.86140 
1 1 1  -15   29    6 f  483.832   6.2474  810.401   20.921  816.585   35.315  807.057   25.968  485.508   10.510  482.783   7.7714 2.724548 13.07082 
1 1 1  -15   29    7 o  396.094   6.6097  543.194   18.120  467.707   29.916  586.936   22.773  367.349   11.766  411.687   7.9922 -44.33801 14.22398 
1 1 1  -15   29    8 o  1242.10   12.702  5350.24  109.192   0.0000   0.0000  5350.24  109.192  ?   ?   1242.10   12.702 0.000000 12.70160 
1 1 1  -15   29    9 o  314.940   7.1257  343.519   15.532  368.829   24.679  326.919   19.987  326.158   10.933  307.144   9.4022 19.01370 14.41962 
1 1 1  -15   29   10 o  377.986   10.758  495.610   28.145  495.610   28.145   0.0000   0.0000  377.986   10.758  ?   ?  0.000000 10.75841 
1 1 1  -15   29   11 o  264.268   9.7178  242.335   17.774  300.098   22.329  142.439   29.365  293.972   10.975  200.448   21.502 93.52399 24.14093 
1 1 1  -15   29   12 o  336.299   6.1444  391.956   14.301  419.586   20.055  363.366   20.400  347.736   8.3329  323.516   9.1108 24.21942 12.34684 
1 1 1  -15   29   13 o   33.768   15.933 -10.8399   9.7178 -16.4475   13.402  -4.6235   14.111   38.715   18.398   47.944   21.287 -9.229137 28.13533 
1 1 1  -15   29   14 o  102.953   14.159   37.820   9.8223   43.855   13.365   30.733   14.483  110.046   18.183   90.974   22.992 19.07122 29.31318 
1 1 1  -15   29   15 o  134.148   11.066   63.307   10.182   56.420   13.899   71.284   14.959  125.328   16.419  141.343   15.548 -16.01518 22.61247 
1 1 1  -15   29   16 o  121.747   15.745   53.386   12.956   54.806   14.188   46.254   31.792  122.950   17.139  108.948   36.140 14.00222 39.99819 
1 1 1  -15   29   17 o   83.205   16.836   25.632   9.3623   28.708   10.540   14.127   20.384   87.851   17.941   71.895   28.163 15.95620 33.39197 
1 1 1  -15   29   18 o   63.947   19.358   15.213   9.3028   13.180   10.609   21.976   19.350   61.234   20.881   78.162   28.084 -16.92796 34.99627 
1 1 1  -15   31    1 o  404.692   5.3437  566.875   14.967  550.244   29.258  572.770   17.419  398.589   10.606  406.776   6.1872 -8.187531 12.27866 
1 1 1  -15   31    2 f  505.693   5.4285  885.151   19.000  826.829   35.934  907.782   22.384  488.595   10.626  512.097   6.3156 -23.50150 12.36142 
1 1 1  -15   31    3 o  668.494   5.9601  1546.91   27.576  1525.85   53.833  1554.40   32.109  663.657   11.720  670.077   6.9234 -6.419189 13.61211 
1 1 1  -15   31    4 o  1265.52   12.755  5550.09  111.723  5390.24  153.191  5731.71  163.294  1246.33   17.759  1285.08   18.360 -38.74927 25.54324 
1 1 1  -15   31    5 o  395.510   6.2039  541.531   16.983  517.073   28.052  555.680   21.337  386.342   10.491  400.603   7.6955 -14.26187 13.01085 
1 1 1  -15   31    6 f  381.044   6.3861  502.678   16.842  517.073   27.963  494.484   21.098  386.316   10.458  377.875   8.0670 8.441284 13.20807 
1 1 1  -15   31    7 f  996.726   8.7483  3441.23   60.350  3220.49   98.534  3573.75   76.345  963.373   14.778  1015.47   10.863 -52.09979 18.34085 
1 1 1  -15   31    8 o  503.763   6.5007  878.762   22.665  877.073   37.435  879.739   28.478  503.006   10.753  503.952   8.1649 -0.9460754 13.50145 
1 1 1  -15   31    9 o  452.384   6.5253  708.765   20.431  694.146   32.596  718.225   26.221  447.412   10.526  455.281   8.3212 -7.868225 13.41809 
1 1 1  -15   31   10 f  159.724   13.225   89.268   14.488   89.512   17.741   88.780   25.103  159.491   16.301  157.381   23.788 2.109406 28.83757 
1 1 1  -15   31   11 o  429.754   6.4992  640.037   19.331  631.219   31.074  645.604   24.691  426.290   10.532  431.429   8.2689 -5.138336 13.39015 
1 1 1  -15   31   12 o   37.996   17.156  -5.0196   9.5926 -16.1301   13.378   6.7386   13.762   38.886   18.450   58.145   23.026 -19.25951 29.50583 
1 1 1  -15   31   13 o  365.032   7.2263  462.463   18.257  579.024   34.494  417.103   21.518  407.344   12.235  346.394   8.9753 60.94992 15.17401 
1 1 1  -15   31   14 o  209.905   7.8477  153.134   11.401  157.739   15.809  148.143   16.457  212.363   10.791  205.611   11.612 6.752243 15.85245 
1 1 1  -15   31   15 o  128.988   11.258   58.645   9.9500   71.217   13.262   42.451   15.050  141.665   13.696  107.000   21.073 34.66468 25.13273 
1 1 1  -15   31   16 o   29.323   14.597 -28.9931   11.717 -28.9338   12.759 -29.3122   29.597   31.485   15.598   58.097   27.530 -26.61258 31.64144 
1 1 1  -15   31   17 o   72.676   20.594   19.887   10.832   7.4630   14.153   37.454   16.829   58.074   23.236   98.199   24.766 -40.12504 33.95934 
1 1 1  -15   31   18 f   42.614   18.196   0.7199   9.4920   2.3380   10.927  -4.2556   19.161   47.109   19.791   54.831   24.543 -7.721985 31.52824 
1 1 1  -15   33    1 o  335.588   5.6995  389.834   13.238  389.512   26.140  389.945   15.352  335.316   11.264  335.620   6.6091 -0.3041077 13.05944 
1 1 1  -15   33    2 o  392.599   5.5413  533.534   15.057  493.171   28.456  549.229   17.744  377.311   10.897  398.313   6.4367 -21.00189 12.65592 
1 1 1  -15   33    3 o  288.113   7.3085  287.401   14.574  256.049   23.559  306.837   18.549  271.815   12.523  297.658   9.0037 -25.84305 15.42353 
1 1 1  -15   33    4 o  1012.75   8.7446  3552.09   61.294  3538.77   74.703  3579.51  107.226  1010.66   10.680  1015.86   15.251 -5.198303 18.61815 
1 1 1  -15   33    5 o  593.690   5.6999  1220.17   23.421  1177.05   32.121  1269.13   34.224  583.004   7.9604  605.369   8.1683 -22.36511 11.40564 
1 1 1  -15   33    6 o  686.956   12.240  1636.10   58.194  1636.10   58.194   0.0000   0.0000  686.956   12.240  ?   ?  0.000000 12.23969 
1 1 1  -15   33    7 o  618.174   6.7130  1323.26   28.721  1270.73   47.479  1353.58   36.069  605.420   11.331  625.106   8.3369 -19.68671 14.06754 
1 1 1  -15   33    8 o  539.896   6.5735  1009.46   24.563  925.854   38.796  1065.40   31.734  516.724   10.848  554.534   8.2684 -37.81024 13.63979 
1 1 1  -15   33    9 o  200.784   9.2371  139.774   12.836  121.366   19.240  154.541   17.233  186.205   15.058  210.663   11.867 -24.45779 19.17219 
1 1 1  -15   33   10 o  137.390   12.246   66.127   11.523   55.854   17.031   74.800   15.648  124.705   20.440  145.648   15.775 -20.94305 25.81973 
1 1 1  -15   33   11 f  211.349   8.6889  155.034   12.710  153.512   19.517  156.154   16.748  209.444   13.536  211.573   11.480 -2.129410 17.74905 
1 1 1  -15   33   12 o   60.447   22.188   10.508   12.167 -15.4634   24.566   18.950   14.006   58.666   26.862   73.917   23.961 -15.25119 35.99590 
1 1 1  -15   33   13 o  309.282   6.1931  331.809   13.257  361.096   18.730  302.409   18.766  322.322   8.3958  294.840   9.1962 27.48145 12.45233 
1 1 1  -15   33   14 o  112.237   13.254   44.770   10.097   38.203   14.008   51.873   14.568  101.720   20.603  119.674   18.159 -17.95352 27.46320 
1 1 1  -15   33   15 o   53.005   19.387   8.3474   9.2763   4.6364   12.210   13.413   14.266   52.644   21.397   65.837   24.047 -13.19243 32.18870 
1 1 1  -15   33   16 o   69.897   20.041   18.173   10.197   7.3017   13.006   35.516   16.428   56.590   22.392   96.138   24.590 -39.54882 33.25800 
1 1 1  -15   33   17 o  103.493   15.752   39.177   10.927   36.673   13.862   43.288   17.759   98.179   21.033  105.340   24.774 -7.160866 32.49832 
1 1 1  -15   33   18 o   71.397   19.229   19.518   9.7146   21.757   11.148   12.454   19.803   75.041   20.763   68.177   27.412 6.863182 34.38764 
1 1 1  -15   35    1 o  586.159   5.7361  1189.38   23.271  1076.10   43.361  1235.20   27.579  557.292   11.242  597.311   6.6711 -40.01855 13.07224 
1 1 1  -15   35    2 o  299.923   6.9468  311.443   14.420  294.098   25.518  319.581   17.479  291.286   12.658  303.784   8.3131 -12.49780 15.14350 
1 1 1  -15   35    3 o  436.875   6.1766  660.751   18.676  656.872   22.531  669.268   33.386  435.549   7.4743  439.488   10.976 -3.939056 13.27905 
1 1 1  -15   35    4 o  468.873   5.4476  761.037   17.678  750.001   24.385  773.264   25.666  465.387   7.5705  472.538   7.8477 -7.150879 10.90405 
1 1 1  -15   35    5 o  563.203   5.6732  1098.13   22.114  1079.59   30.675  1118.19   31.909  558.320   7.9383  568.203   8.1141 -9.883240 11.35145 
1 1 1  -15   35    6 o  235.240   7.0599  191.636   11.494  191.045   16.007  192.264   16.516  234.799   9.8502  235.537   10.131 -0.7382507 14.13047 
1 1 1  -15   35    8 o  482.618   7.9912  807.103   26.693  807.103   26.693   0.0000   0.0000  482.618   7.9912  ?   ?  0.000000 7.991238 
1 1 1  -15   35    9 o  487.234   8.0607  822.972   27.182  875.610   37.167  762.439   39.857  502.239   10.692  468.427   12.294 33.81204 16.29310 
1 1 1  -15   35   10 o  529.302   10.996  973.658   40.283  973.658   40.283   0.0000   0.0000  529.302   10.996  ?   ?  0.000000 10.99609 
1 1 1  -15   35   11 o  147.976   11.390   76.657   11.576   83.854   17.253   70.765   15.611  153.894   16.453  141.270   16.263 12.62367 23.13433 
1 1 1  -15   35   12 o  108.228   13.731   41.592   10.054   48.454   13.398   32.750   15.210  116.191   17.179   94.051   23.448 22.13955 29.06739 
1 1 1  -15   35   13 o   89.303   16.240   28.926   9.6677   27.920   13.468   29.996   13.886   86.731   22.309   89.846   22.406 -3.114616 31.61888 
1 1 1  -15   35   14 o  239.327   7.0981  199.058   11.757  216.890   16.238  179.404   17.047  249.417   9.4064  226.559   10.871 22.85803 14.37590 
1 1 1  -15   35   15 o   81.040   20.467   24.606   11.483   26.300   12.545   15.854   28.514   83.623   21.542   81.424   32.838 2.198997 39.27369 
1 1 1  -15   35   16 o  146.547   10.636   75.772   10.715   62.360   13.735   96.627   17.126  131.450   15.388  164.029   15.261 -32.57878 21.67200 
1 1 1  -15   35   17 o   36.362   17.523 -18.5338   13.127 -10.5122   23.793 -22.0438   15.739   57.759   26.443   39.684   19.139 18.07589 32.64255 
1 1 1  -15   37    1 o  223.251   7.7897  172.598   12.036  157.366   22.327  178.838   14.291  212.418   15.289  227.223   9.0870 -14.80524 17.78560 
1 1 1  -15   37    2 o  496.670   7.9294  854.287   27.257  870.732   38.970  838.537   38.139  501.242   11.233  491.890   11.203 9.351959 15.86468 
1 1 1  -15   37    4 o  393.634   5.6051  536.431   15.270  525.321   20.863  549.250   22.411  389.463   7.7399  398.219   8.1314 -8.755371 11.22617 
1 1 1  -15   37    5 o  253.948   10.060  223.502   17.681  205.658   24.799  241.951   25.217  242.942   14.820  263.684   13.866 -20.74220 20.29523 
1 1 1  -15   37    6 o  316.100   6.1472  345.996   13.449  323.416   18.355  372.169   19.761  305.515   8.6805  327.733   8.7119 -22.21768 12.29830 
1 1 1  -15   37    7 o  440.052   5.6625  670.560   17.246  674.909   23.841  665.787   24.979  441.348   7.8047  438.325   8.2337 3.023346 11.34494 
1 1 1  -15   37    8 o  503.581   7.8386  878.962   27.320  878.962   27.320   0.0000   0.0000  503.581   7.8386  ?   ?  0.000000 7.838604 
1 1 1  -15   37    9 o  194.212   8.1494  130.812   10.954  136.842   14.816  123.542   16.268  198.180   10.843  188.042   12.572 10.13741 16.60235 
1 1 1  -15   37   10 o  204.474   8.0078  145.067   11.333  140.949   15.117  150.351   17.124  201.033   10.905  207.487   11.975 -6.453674 16.19664 
1 1 1  -15   37   11 o  218.859   9.5056  166.519   14.399  177.707   25.369  161.203   17.488  224.497   16.442  214.753   11.811 9.744644 20.24469 
1 1 1  -15   37   12 o  116.672   18.683   49.249   14.578   0.0000   0.0000   49.249   14.578  ?   ?   116.672   18.683 0.000000 18.68336 
1 1 1  -15   37   13 o   56.030   19.538   10.097   9.3084   13.189   12.621   6.4100   13.784   64.221   22.723   57.323   22.932 6.898087 32.28349 
1 1 1  -15   37   14 o  165.807   8.9598   96.122   10.244  116.878   14.083   72.804   14.927  182.381   11.211  142.719   15.353 39.66167 19.01116 
1 1 1  -15   37   15 o   70.340   19.260   18.424   9.6515   4.6837   12.991   35.348   14.418   53.727   21.981   96.671   22.040 -42.94370 31.12698 
1 1 1  -15   37   16 o  178.416   9.4092  111.809   11.578  110.650   15.288  113.368   17.728  176.460   12.601  177.869   14.528 -1.408829 19.23104 
1 1 1  -15   37   17 o   82.687   18.693   25.987   10.446   32.758   13.841   17.025   15.923   91.796   22.060   70.057   25.434 21.73918 33.66759 
1 1 1  -15   39    1 o  341.321   12.218  403.951   28.862  403.951   28.862   0.0000   0.0000  341.321   12.218  ?   ?  0.000000 12.21783 
1 1 1  -15   39    2 o  208.632   7.5647  150.747   10.923  145.456   14.501  157.688   16.608  204.872   10.227  212.980   11.307 -8.107620 15.24596 
1 1 1  -15   39    3 o  168.219   8.8909   98.311   10.315   95.161   13.578  102.610   15.861  165.229   11.954  171.445   13.476 -6.216461 18.01347 
1 1 1  -15   39    4 o  125.878   11.587   55.412   9.9816   32.545   13.313   84.768   15.084   94.827   20.852  155.630   14.159 -60.80286 25.20513 
1 1 1  -15   39    6 o  489.443   5.6120  829.533   19.011  797.239   25.901  867.246   27.990  479.675   7.8019  500.269   8.0839 -20.59451 11.23473 
1 1 1  -15   39    7 o  264.576   6.7183  242.519   12.302  244.425   16.762  240.294   18.113  265.485   9.1223  263.180   9.9439 2.305328 13.49432 
1 1 1  -15   39    8 o  178.005   9.9873  110.339   12.255   97.914   14.345  143.902   23.576  167.340   12.475  202.305   16.995 -34.96486 21.08242 
1 1 1  -15   39    9 o  634.129   5.9842  1393.51   26.264  1363.09   36.081  1427.79   38.304  626.762   8.3177  641.399   8.6286 -14.63721 11.98490 
1 1 1  -15   39   10 f  273.362   7.5032  259.287   14.196  262.098   21.973  257.273   18.599  274.336   11.572  272.032   9.8783 2.303223 15.21515 
1 1 1  -15   39   11 o   56.742   19.654   10.343   9.4109   28.578   12.410 -14.3330   14.437   88.083   20.706   41.959   19.679 46.12474 28.56582 
1 1 1  -15   39   12 o   68.756   19.197   17.271   9.4845   6.5542   12.851   30.095   14.057   56.176   22.249   89.952   22.605 -33.77598 31.71766 
1 1 1  -15   39   13 o   57.814   19.593   11.206   9.3407   27.193   12.603  -8.2755   13.913   85.385   21.376   44.509   20.317 40.87595 29.49127 
1 1 1  -15   39   14 o   56.857   19.840   10.578   9.5992   21.781   12.854  -3.5446   14.433   76.573   22.661   48.790   21.601 27.78254 31.30693 
1 1 1  -15   39   15 o   69.962   19.648   18.274   9.9056   6.0223   12.996   35.258   15.302   55.050   22.181   95.970   23.276 -40.92072 32.15226 
1 1 1  -15   39   16 f   55.744   22.323   6.8872   13.076 -19.5024   22.864   19.716   15.941   52.266   24.594   73.885   25.580 -21.61842 35.48471 
1 1 1  -15   41    1 o  329.021   6.7949  374.895   15.473  379.569   18.289  363.122   29.025  331.020   7.9829  323.503   12.963 7.516907 15.22398 
1 1 1  -15   41    2 o  881.351   13.915  2696.58   84.880   0.0000   0.0000  2696.58   84.880  ?   ?   881.351   13.915 0.000000 13.91494 
1 1 1  -15   41    3 o  396.053   5.6758  543.121   15.558  532.847   21.110  555.338   23.019  392.192   7.7769  400.354   8.3075 -8.161957 11.37960 
1 1 1  -15   41    4 o  350.987   6.9394  426.708   16.857  413.561   29.246  433.249   20.629  345.202   12.241  353.589   8.4296 -8.387848 14.86262 
1 1 1  -15   41    5 o  359.560   5.7761  447.724   14.374  427.295   19.556  471.731   21.200  351.140   8.0468  368.929   8.3026 -17.78967 11.56218 
1 1 1  -15   41    6 o  271.337   6.5799  255.069   12.357  278.639   17.296  230.495   17.660  283.469   8.8156  257.751   9.8997 25.71808 13.25590 
1 1 1  -15   41    7 o   71.700   22.051   18.073   12.008   46.259   21.547   5.3749   14.462  112.089   27.888   57.949   23.381 54.13945 36.39220 
1 1 1  -15   41    8 o  305.561   6.2973  323.594   13.318  328.177   18.197  318.307   19.544  307.522   8.5494  302.782   9.3262 4.739624 12.65188 
1 1 1  -15   41    9 o  137.898   10.991   66.581   10.403   70.390   13.703   61.399   15.982  141.281   14.206  131.046   18.105 10.23462 23.01322 
1 1 1  -15   41   10 o  402.417   8.1184  562.416   22.611  581.951   33.122  545.366   30.943  408.556   11.714  395.607   11.301 12.94913 16.27657 
1 1 1  -15   41   11 o  160.610   9.3240   90.070   10.320  104.107   13.772   72.098   15.584  172.309   11.616  142.279   16.110 30.02995 19.86089 
1 1 1  -15   41   12 f   98.493   14.471   34.807   9.5707   37.671   12.918   31.322   14.249  101.360   19.116   91.573   22.617 9.786171 29.61280 
1 1 1  -15   41   13 o   87.093   19.684   28.211   11.586   25.994   12.870   37.683   26.604   83.297   21.998  100.064   33.054 -16.76681 39.70513 
1 1 1  -15   41   14 o  139.045   10.865   68.191   10.373   63.070   13.740   74.977   15.816  132.464   15.267  144.279   16.114 -11.81477 22.19728 
1 1 1  -15   41   15 o  116.723   13.112   48.808   10.409   40.556   13.932   59.234   15.660  103.914   20.099  126.824   18.376 -22.91048 27.23319 
1 1 1  -15   41   16 o   89.928   17.220   30.230   10.328   28.665   13.684   32.301   15.742   85.799   22.695   90.512   24.520 -4.712837 33.41121 
1 1 1  -15   43    1 o  198.197   7.9559  136.107   10.913  135.397   14.802  136.952   16.154  197.275   10.883  198.313   11.823 -1.038376 16.06967 
1 1 1  -15   43    2 o  500.728   8.1780  868.850   28.342   0.0000   0.0000  868.850   28.342  ?   ?   500.728   8.1780 0.000000 8.177953 
1 1 1  -15   43    3 o  178.194   12.674  110.826   15.529  115.707   22.707  106.537   21.284  181.273   18.352  173.937   17.938 7.336655 25.66214 
1 1 1  -15   43    4 o  126.646   11.572   56.148   10.031   72.349   13.242   34.334   15.366  143.646   13.477   97.052   23.192 46.59409 26.82327 
1 1 1  -15   43    5 o   66.883   19.550   15.932   9.6196   11.038   12.920   22.018   14.410   62.423   22.872   78.975   24.134 -16.55204 33.25039 
1 1 1  -15   43    6 o  285.450   6.3074  282.341   12.461  272.342   17.048  293.812   18.260  280.177   8.7914  290.988   9.0666 -10.81082 12.62900 
1 1 1  -15   43    7 o  231.320   8.3384  185.665   13.350  185.075   15.826  187.122   24.857  230.825   9.9062  230.936   15.644 -0.1115417 18.51674 
1 1 1  -15   43    8 o  250.692   6.7813  217.934   11.766  228.614   15.923  205.089   17.462  256.564   8.9674  242.856   10.389 13.70827 13.72379 
1 1 1  -15   43    9 o  258.240   6.9168  231.360   12.362  205.588   16.684  262.742   18.410  243.109   9.9154  274.866   9.6774 -31.75636 13.85520 
1 1 1  -15   43   10 o  478.870   5.6973  795.169   18.883  761.417   25.386  836.965   28.251  468.176   7.8346  490.734   8.3177 -22.55823 11.42649 
1 1 1  -15   43   11 o  249.755   6.7898  216.594   11.737  227.667   16.039  203.829   17.220  255.722   9.0621  241.754   10.292 13.96835 13.71289 
1 1 1  -15   43   12 o   63.459   19.743   14.399   9.5939   2.6850   12.744   29.722   14.576   51.555   21.495   88.958   23.370 -37.40326 31.75215 
1 1 1  -15   43   13 o  200.315   7.9225  139.769   10.984  152.701   15.044  125.006   16.074  208.885   10.406  188.164   12.412 20.72110 16.19718 
1 1 1  -15   43   14 o   36.583   16.676  -5.4055   9.3312  -8.5643   12.339  -1.1855   14.262   40.806   18.814   50.134   21.857 -9.328300 28.83879 
1 1 1  -15   43   15 o   64.566   22.496   14.448   12.338   43.478   22.435   1.8609   14.773  103.655   29.729   53.267   22.721 50.38781 37.41715 
1 1 1  -15   43   16 o  145.308   11.298   75.249   11.273   78.982   15.319   70.841   16.648  147.180   15.261  138.045   17.843 9.134445 23.47879 
1 1 1  -15   45    1 o  737.211   6.3107  1882.65   32.199  1869.14   45.052  1896.76   46.037  734.198   8.8660  739.582   8.9938 -5.384277 12.62907 
1 1 1  -15   45    2 o  394.029   5.6709  537.743   15.465  511.169   21.157  568.233   22.662  384.011   7.9605  404.867   8.0875 -20.85648 11.34805 
1 1 1  -15   45    3 o  392.562   5.6919  533.784   15.465  522.591   21.419  545.974   22.352  388.252   7.9709  396.828   8.1382 -8.575897 11.39144 
1 1 1  -15   45    4 o   48.351   19.664   3.2496   10.320  -2.4601   12.323   16.659   18.884   46.426   20.276   75.702   27.665 -29.27625 34.29989 
1 1 1  -15   45    5 o  292.205   6.2698  295.885   12.680  294.776   16.952  297.294   19.105  291.496   8.4025  292.644   9.4326 -1.148071 12.63233 
1 1 1  -15   45    6 o  254.141   7.6474  224.032   13.451  233.281   16.060  202.293   24.621  259.223   8.9515  240.270   14.879 18.95296 17.36425 
1 1 1  -15   45    7 o  204.822   7.7177  145.571   10.941  151.590   14.761  138.233   16.298  208.801   10.214  198.875   11.895 9.926743 15.67875 
1 1 1  -15   45    8 o   90.770   16.715   29.808   10.114   17.278   13.619   45.215   15.102   71.228   23.655  111.471   20.323 -40.24333 31.18650 
1 1 1  -15   45    9 o  154.711   9.8316   83.647   10.473   78.676   14.158   89.653   15.562  149.293   13.861  159.361   14.260 -10.06775 19.88663 
1 1 1  -15   45   10 o  158.758   9.4073   88.069   10.291   92.655   13.557   81.836   15.806  162.341   12.154  151.810   15.249 10.53160 19.50062 
1 1 1  -15   45   11 o  209.637   7.4974  152.794   10.878  174.346   14.740  127.019   16.120  223.616   9.5243  190.005   12.324 33.61070 15.57575 
1 1 1  -15   45   12 o  124.452   14.168   55.311   11.986   56.342   13.703   51.951   24.731  125.037   16.216  115.277   30.518 9.760056 34.55888 
1 1 1  -15   45   13 o  119.726   12.205   50.953   9.9718   56.463   13.680   44.707   14.566  124.905   16.207  109.682   19.922 15.22302 25.68130 
1 1 1  -15   45   14 o  161.931   11.428   92.805   12.725   98.293   22.373   90.180   15.472  162.954   20.276  158.645   14.243 4.308655 24.77837 
1 1 1  -15   45   15 o  126.631   12.460   57.445   10.779   49.064   14.539   67.671   16.061  114.374   19.036  135.421   17.548 -21.04687 25.89049 
1 1 1  -15   47    1 o  223.467   7.9860  173.171   12.352  183.073   19.367  166.382   16.036  229.122   12.257  218.870   10.586 10.25136 16.19590 
1 1 1  -15   47    2 o  164.170   11.102   94.081   12.540   58.780   23.038  108.944   14.949  126.464   27.134  176.555   12.311 -50.09055 29.79569 
1 1 1  -15   47    3 o  182.865   8.2083  116.000   10.389   98.363   13.886  138.423   15.657  167.733   12.041  199.214   11.403 -31.48143 16.58366 
1 1 1  -15   47    4 o  456.612   5.5671  722.375   17.594  717.929   24.309  727.266   25.495  454.952   7.7202  457.855   8.0455 -2.903473 11.15041 
1 1 1  -15   47    5 o  154.839   10.603   83.750   11.295   87.483   13.531   75.171   20.512  157.992   12.476  144.589   21.120 13.40268 24.52954 
1 1 1  -15   47    6 o  227.579   7.2159  179.673   11.366  172.691   14.950  189.234   17.495  222.894   9.6911  233.196   10.840 -10.30214 14.54034 
1 1 1  -15   47    7 o  194.310   8.0603  131.112   10.840  116.998   14.270  150.364   16.667  182.902   11.329  207.376   11.660 -24.47313 16.25697 
1 1 1  -15   47    8 o  136.593   13.907   65.975   12.964   75.512   21.252   60.322   16.361  144.113   22.004  129.381   18.823 14.73210 28.95662 
1 1 1  -15   47    9 o  268.534   6.7019  250.323   12.456  247.281   16.856  253.981   18.487  266.540   9.1374  269.993   9.8931 -3.452789 13.46720 
1 1 1  -15   47   10 o  118.559   12.017   49.693   9.7242   46.244   12.709   54.565   15.104  113.198   16.725  122.680   18.352 -9.481949 24.82961 
1 1 1  -15   47   11 o  167.281   9.1140   97.873   10.512  106.690   13.946   86.273   15.997  174.109   11.640  155.573   15.045 18.53558 19.02219 
1 1 1  -15   47   12 o  118.288   11.903   49.642   9.6122   55.853   13.136   42.483   14.104  124.507   15.585  107.026   19.768 17.48031 25.17246 
1 1 1  -15   47   13 o  128.101   11.877   58.283   10.411   58.581   14.383   57.955   15.087  126.847   16.797  125.776   17.831 1.071487 24.49620 
1 1 1  -15   47   14 o   31.973   15.263 -11.8620   9.4384 -16.5646   13.308  -7.1020   13.389   37.746   18.047   43.665   19.932 -5.918770 26.88836 
1 1 1  -15   49    1 o  224.229   7.0022  174.336   10.867  170.492   14.841  178.779   15.955  221.544   9.6790  226.820   10.163 -5.276337 14.03494 
1 1 1  -15   49    2 o  338.348   6.5528  396.868   15.345  387.024   24.735  403.027   19.565  333.630   10.712  340.781   8.2953 -7.150482 13.54840 
1 1 1  -15   49    3 o  323.898   8.4835  364.183   19.018   0.0000   0.0000  364.183   19.018  ?   ?   323.898   8.4835 0.000000 8.483478 
1 1 1  -15   49    4 o  397.407   5.6274  547.338   15.478  550.697   21.367  543.630   22.453  398.362   7.7497  395.732   8.1976 2.629852 11.28088 
1 1 1  -15   49    5 o  189.190   9.0471  124.376   11.846  124.168   13.750  124.976   23.335  188.598   10.577  187.637   18.197 0.9602966 21.04764 
1 1 1  -15   49    6 o   57.141   20.284   10.091   10.065   11.164   11.989   7.5317   18.523   61.033   22.082   65.468   26.445 -4.435635 34.45224 
1 1 1  -15   49    7 o  309.570   8.1594  333.009   17.482  322.341   23.653  345.854   25.954  304.009   11.241  314.750   11.914 -10.74130 16.38029 
1 1 1  -15   49    8 o   71.943   18.856   19.021   9.5029   14.975   12.777   24.031   14.216   66.971   22.914   80.931   23.797 -13.95926 33.03611 
1 1 1  -15   49    9 o  226.267   7.4231  177.947   11.625  189.774   15.801  163.992   17.163  233.290   9.7860  216.255   11.509 17.03445 15.10681 
1 1 1  -15   49   10 o  117.792   12.276   49.179   9.8613   50.529   13.067   47.394   15.030  118.355   16.392  113.517   19.853 4.838043 25.74588 
1 1 1  -15   49   11 o  104.654   14.038   39.331   9.9117   53.079   12.628   17.272   15.996  121.454   15.367   71.954   25.568 49.49995 29.83079 
1 1 1  -15   49   12 o  154.777   9.6104   84.150   10.244   94.045   13.760   71.844   15.344  162.913   12.294  141.075   15.998 21.83812 20.17594 
1 1 1  -15   49   13 o  101.459   17.679   38.151   11.963   48.615   21.158   33.234   14.504  110.553   27.707   92.874   22.745 17.67836 35.84694 
1 1 1  -15   49   14 o   40.011   17.659  -1.9225   9.5702   12.466   13.145 -18.1511   13.960   62.181   23.022   38.076   18.279 24.10511 29.39577 
1 1 1  -15   51    1 f   77.597   20.550   22.018   11.211   48.878   20.516   10.582   13.386  114.750   26.383   62.104   23.185 52.64656 35.12275 
1 1 1  -15   51    2 o  240.544   6.7112  200.681   11.173  183.291   14.986  222.449   16.766  229.636   9.4288  252.961   9.5764 -23.32521 13.43911 
1 1 1  -15   51    3 o  207.218   7.3874  149.015   10.595  138.143   14.624  161.025   15.371  198.932   10.660  215.117   10.324 -16.18550 14.84000 
1 1 1  -15   51    4 o  149.017   9.7249   77.570   9.9750   79.193   13.370   75.533   14.980  150.031   13.005  146.089   15.030 3.941147 19.87535 
1 1 1  -15   51    5 o  154.000   9.2773   82.785   9.8421   71.108   13.138   97.720   14.858  141.952   13.536  166.720   12.979 -24.76808 18.75308 
1 1 1  -15   51    6 o  195.900   7.8304  133.333   10.617  134.292   14.241  132.134   15.929  196.011   10.536  194.156   11.912 1.854172 15.90273 
1 1 1  -15   51    7 o  111.333   18.681   45.068   13.885   51.951   19.805   38.415   19.471  117.865   25.050  100.955   27.238 16.91015 37.00584 
1 1 1  -15   51    8 o  243.433   7.7332  206.058   13.029  209.115   15.590  198.976   23.728  244.990   9.1941  237.365   14.513 7.625214 17.18029 
1 1 1  -15   51    9 o  183.993   8.2921  117.884   10.560  130.278   14.260  102.835   15.713  192.731   10.733  170.492   13.425 22.23874 17.18741 
1 1 1  -15   51   10 o  134.749   16.676   65.529   15.220   37.678   21.317   94.488   21.738   98.836   29.163  160.889   19.949 -62.05317 35.33341 
1 1 1  -15   51   11 o  200.217   8.0768  139.798   11.192  139.586   14.781  140.081   17.135  199.196   10.761  198.986   12.505 0.2100067 16.49812 
1 1 1  -15   51   12 o  113.141   13.114   45.902   10.079   38.417   13.537   55.211   15.097  101.064   20.061  122.335   18.400 -21.27085 27.22167 
1 1 1  -15   51   13 f  113.363   13.384   46.348   10.299   32.111   14.342   61.502   14.798   90.841   22.837  129.372   16.933 -38.53049 28.42933 
1 1 1  -15   53    1 f   69.940   18.062   17.888   8.8042   7.2674   11.983   30.346   12.978   55.876   21.674   90.740   21.070 -34.86370 30.22753 
1 1 1  -15   53    2 o  240.526   6.6888  200.731   11.135  188.584   14.984  215.715   16.641  232.850   9.2975  248.987   9.6565 -16.13734 13.40495 
1 1 1  -15   53    3 o  224.081   7.9036  174.428   12.258  159.415   18.872  185.383   16.121  213.179   12.851  230.734   10.095 -17.55498 16.34192 
1 1 1  -15   53    4 o  238.420   6.8355  197.308   11.280  184.943   15.291  212.068   16.706  230.494   9.5851  246.788   9.7809 -16.29492 13.69452 
1 1 1  -15   53    5 o  300.866   6.1292  314.067   12.763  304.950   17.324  324.889   18.875  296.121   8.4529  305.562   8.9248 -9.441345 12.29241 
1 1 1  -15   53    6 o  119.442   14.747   50.896   11.932   45.746   20.232   53.642   14.776  109.957   26.824  121.793   18.077 -11.83622 32.34694 
1 1 1  -15   53    7 o  103.444   13.448   38.184   9.4004   29.981   12.359   49.443   14.480   89.866   20.344  116.561   18.572 -26.69485 27.54643 
1 1 1  -15   53    8 o   78.849   19.279   23.102   10.433   28.224   12.327   10.171   19.587   86.938   20.771   68.329   27.336 18.60969 34.33229 
1 1 1  -15   53    9 o  183.685   9.0716  117.754   11.533  114.342   13.489  127.024   22.235  180.363   10.856  187.989   17.283 -7.626892 20.41007 
1 1 1  -15   53   10 o  170.113   9.9749  101.644   11.693  102.359   13.552   99.561   23.131  170.282   11.568  164.413   20.792 5.868774 23.79298 
1 1 1  -15   53   11 o   64.572   19.802   15.318   9.6911   24.999   13.317   4.4202   14.130   80.972   22.796   54.928   22.745 26.04365 32.20200 
1 1 1  -15   53   12 o   66.774   21.915   16.280   11.702  -1.3473   20.040   25.399   14.414   58.279   25.644   81.083   23.996 -22.80370 35.12060 
1 1 1  -15   55    1 o  130.752   10.669   60.005   9.5704   50.696   12.958   71.176   14.195  118.960   16.156  141.657   14.693 -22.69635 21.83807 
1 1 1  -15   55    2 o   77.835   17.439   22.220   9.1614   33.551   12.457   8.8715   13.521   95.584   19.491   59.860   23.077 35.72414 30.20686 
1 1 1  -15   55    3 o  175.004   9.6528  107.009   11.647  117.062   13.694   80.732   22.141  182.835   10.871  148.686   22.195 34.14883 24.71419 
1 1 1  -15   55    4 o   95.057   16.350   32.746   10.369   21.054   16.113   41.009   13.546   77.513   25.729  105.890   19.190 -28.37707 32.09731 
1 1 1  -15   55    5 o   45.360   19.084   1.2841   10.185   0.5922   15.120   1.8589   13.781   53.703   22.948   52.604   22.169 1.098778 31.90737 
1 1 1  -15   55    6 o   50.659   19.214   6.7434   9.2745   7.6438   12.494   5.6381   13.842   56.700   22.093   56.421   22.836 0.2791214 31.77356 
1 1 1  -15   55    7 o  185.988   12.264  121.922   15.698   0.0000   0.0000  121.922   15.698  ?   ?   185.988   12.264 0.000000 12.26402 
1 1 1  -15   55    8 o  131.917   10.671   61.324   9.6589   60.740   12.451   62.207   15.307  130.442   14.011  131.004   17.306 -0.5619659 22.26621 
1 1 1  -15   55    9 o  109.378   16.580   43.595   12.158   43.595   12.158   0.0000   0.0000  109.378   16.580  ?   ?  0.000000 16.58022 
1 1 1  -15   55   10 o   57.780   20.149   11.167   9.8997   23.103   12.990  -5.3708   15.291   78.078   22.687   48.576   21.821 29.50205 31.47813 
1 1 1  -15   55   11 o  166.992   10.715   98.574   12.319  129.707   20.812   81.783   15.284  189.324   16.034  150.555   14.862 38.76883 21.86222 
1 1 1  -15   55   12 o   78.445   19.010   23.521   10.213   30.450   14.045   15.747   14.877   88.097   22.843   67.631   24.580 20.46638 33.55537 
1 1 1  -15   57    1 o  267.904   6.3380  249.162   11.752  231.742   15.811  270.664   17.566  257.980   8.8553  278.754   9.1051 -20.77451 12.70114 
1 1 1  -15   57    2 o  245.833   6.6358  209.877   11.290  190.742   15.015  234.778   17.128  233.964   9.2723  259.519   9.5356 -25.55447 13.30050 
1 1 1  -15   57    3 o  186.609   7.8847  121.132   10.183  113.485   13.524  131.144   15.476  179.878   10.915  193.247   11.625 -13.36826 15.94571 
1 1 1  -15   57    4 o  142.683   9.9062   71.390   9.7220   70.258   13.296   72.690   14.252  140.670   13.836  142.899   14.616 -2.229202 20.12562 
1 1 1  -15   57    5 o   96.570   26.192   35.493   17.948   0.0000   0.0000   35.493   17.948  ?   ?    96.570   26.192 0.000000 26.19164 
1 1 1  -15   57    6 o   53.445   19.257   8.8026   9.1034   3.6934   12.257   15.089   13.596   51.632   21.263   67.307   23.605 -15.67464 31.76957 
1 1 1  -15   57    7 o  133.722   10.513   62.997   9.6515   75.527   12.820   46.600   14.664  145.900   12.825  112.287   19.582 33.61275 23.40788 
1 1 1  -15   57    8 o   99.905   15.471   36.284   10.351   31.340   11.813   52.634   21.484   91.594   19.246  116.227   27.190 -24.63328 33.31279 
1 1 1  -15   57    9 o  137.537   10.781   66.863   10.180   63.656   13.597   70.953   15.358  132.865   15.052  139.948   16.152 -7.083572 22.07829 
1 1 1  -15   57   10 o   87.411   18.667   28.774   10.950   30.863   13.241   24.254   19.477   89.655   21.595   81.001   28.262 8.653923 35.56773 
1 1 1  -15   57   11 o   64.179   20.176   15.334   9.9908   18.207   13.498   11.853   14.858   70.117   23.554   63.055   24.223 7.062428 33.78682 
1 1 1  -15   59    1 o  152.804   10.076   81.900   10.597   79.691   12.752   86.829   19.050  150.207   12.376  155.133   18.082 -4.925247 21.91143 
1 1 1  -15   59    2 o  149.118   10.782   78.179   11.053   74.092   12.591   91.902   23.074  144.703   12.701  158.266   21.631 -13.56328 25.08440 
1 1 1  -15   59    3 o   73.657   17.649   20.084   8.8793   20.397   11.648   19.651   13.720   74.226   21.459   73.821   23.693 0.4049149 31.96622 
1 1 1  -15   59    4 o   74.777   17.914   20.744   9.1493   31.354   12.405   8.0850   13.549   91.677   20.104   58.484   22.946 33.19331 30.50686 
1 1 1  -15   59    5 f   72.097   18.518   19.340   9.2890   25.801   12.779   12.102   13.526   82.755   21.951   63.212   23.363 19.54252 32.05742 
1 1 1  -15   59    6 f  167.442   9.8959   98.444   11.417  108.293   18.370   92.245   14.574  173.914   15.422  161.162   13.181 12.75218 20.28727 
1 1 1  -15   59    7 o  286.898   9.3656  287.951   18.597   0.0000   0.0000  287.951   18.597  ?   ?   286.898   9.3656 0.000000 9.365591 
1 1 1  -15   59    8 o  152.507   9.6869   81.837   10.172   99.400   13.634   59.793   15.275  167.486   11.838  127.655   17.771 39.83018 21.35285 
1 1 1  -15   59    9 o  115.451   12.474   47.738   9.8089   42.011   13.766   53.643   13.980  105.695   19.538  120.734   17.218 -15.03835 26.04224 
1 1 1  -15   59   10 o   78.932   20.430   23.997   11.247   46.902   19.124   11.883   13.907  108.258   25.875   62.145   23.539 46.11319 34.97992 
1 1 1  -15   61    1 o   41.742   18.132  -1.0291   9.7415  -2.5289   11.038   4.2537   20.716   43.049   18.984   64.351   27.153 -21.30231 33.13097 
1 1 1  -15   61    2 o  190.648   8.5347  126.772   11.261  135.504   13.603  107.756   20.075  196.563   10.033  173.025   16.983 23.53754 19.72483 
1 1 1  -15   61    3 o   68.684   20.512   17.374   10.497   48.229   16.180  -5.0534   13.794  113.584   21.366   46.348   20.780 67.23619 29.80414 
1 1 1  -15   61    4 o   43.047   18.286   0.7356   9.4975   26.816   13.635 -23.8450   13.237   84.070   22.840   34.409   16.814 49.66096 28.36116 
1 1 1  -15   61    5 o   71.981   18.131   19.356   9.0281   21.799   12.317   16.519   13.271   76.147   22.083   68.617   23.354 7.530663 32.14128 
1 1 1  -15   61    6 o  128.535   10.980   58.481   9.6738   68.602   13.780   48.646   13.584  138.157   14.634  115.078   17.616 23.07872 22.90116 
1 1 1  -15   61    7 o  162.262   12.999   93.875   14.476  105.415   19.216   78.732   22.013  170.535   16.486  144.171   22.821 26.36412 28.15279 
1 1 1  -15   61    8 o  110.174   12.959   43.673   9.6926   47.460   13.153   39.172   14.339  113.313   17.321  101.227   21.148 12.08607 27.33627 
1 1 1  -15   63    1 o   52.376   19.233   8.2266   9.1427   12.396   12.040   2.5465   14.052   61.828   22.159   53.140   22.390 8.688095 31.50134 
1 1 1  -15   63    2 o  135.533   13.814   65.703   12.777   65.703   12.777   0.0000   0.0000  135.533   13.814  ?   ?  0.000000 13.81437 
1 1 1  -15   63    3 o  225.091   10.187  177.672   15.870  174.098   23.175  180.829   21.779  220.531   15.278  225.353   14.033 -4.822433 20.74436 
1 1 1  -15   63    4 o  195.883   7.7574  133.855   10.517  144.686   14.666  122.391   15.089  202.723   10.489  185.983   11.783 16.73956 15.77524 
1 1 1  -15   63    5 o  150.530   9.4774   79.719   9.8235   73.452   13.877   86.014   13.908  143.003   14.209  155.270   13.063 -12.26683 19.30160 
1 1 1  -15   63    6 o  199.267   7.6423  138.646   10.540  153.751   14.436  121.403   15.424  209.187   9.9709  184.851   12.123 24.33618 15.69681 
1 1 1  -15   63    7 o   27.590   13.573 -18.2627   9.0904  -8.6208   12.316 -29.8016   13.473   40.383   18.681   32.314   16.012 8.069309 24.60407 
1 1 1  -15   65    1 o  196.780   8.2863  135.319   11.285  151.818   15.551  116.964   16.403  207.435   10.870  181.164   13.172 26.27139 17.07787 
1 1 1  -15   65    2 o   51.437   19.661   7.1604   9.7587 -12.0093   13.317   29.396   14.342   40.385   18.928   87.209   23.313 -46.82405 30.02932 
1 1 1  -15   65    3 o   92.118   15.536   31.171   9.5527   32.799   12.906   29.198   14.206   92.801   20.629   86.838   23.197 5.962769 31.04275 
1 1 1  -15   65    4 o   50.292   19.869   5.8892   10.225   4.1600   12.325   9.7073   18.315   51.560   21.287   64.900   26.267 -13.34015 33.81007 
1 1 1  -15   65    5 o   70.854   18.329   19.029   9.0563   21.943   12.406   15.704   13.251   75.572   22.233   66.659   23.308 8.913902 32.21124 
1 1 1  -15   67    1 o  134.581   12.761   64.948   11.744   83.073   18.734   53.214   15.073  149.701   18.473  119.222   18.898 30.47875 26.42656 
1 1 1  -14    0    1 o  548.433   7.1455  1041.53   27.112  1041.53   27.112  1041.53   27.112  548.433   7.1455  548.433   7.1455 0.000000 0.000000 
1 1 1  -14    0    2 o  200.547   7.6667  139.813   10.606  139.813   10.606  139.813   10.606  200.547   7.6667  200.547   7.6667 0.000000 0.000000 
1 1 1  -14    0    3 o  678.697   11.295  1596.10   53.025  1596.10   53.025  1596.10   53.025  678.697   11.295  678.697   11.295 0.000000 0.000000 
1 1 1  -14    0    4 o  1069.01   15.580  3961.46  115.221  3961.46  115.221  3961.46  115.221  1069.01   15.580  1069.01   15.580 0.000000 0.000000 
1 1 1  -14    0    5 o  258.508   8.1065  232.006   14.472  232.006   14.472  232.006   14.472  258.508   8.1065  258.508   8.1065 0.000000 0.000000 
1 1 1  -14    0    6 o  326.115   7.6250  368.716   17.189  368.716   17.189  368.716   17.189  326.115   7.6250  326.115   7.6250 0.000000 0.000000 
1 1 1  -14    0    7 o  1200.37   12.233  4990.25  101.609  4990.25  101.609  4990.25  101.609  1200.37   12.233  1200.37   12.233 0.000000 0.000000 
1 1 1  -14    0    8 o  929.790   14.408  2995.61   92.669  2995.61   92.669  2995.61   92.669  929.790   14.408  929.790   14.408 0.000000 0.000000 
1 1 1  -14    0    9 o  955.140   10.420  3159.15   68.866  3159.15   68.866  3159.15   68.866  955.140   10.420  955.140   10.420 0.000000 0.000000 
1 1 1  -14    0   11 o  256.917   9.2962  229.409   16.481  229.409   16.481  229.409   16.481  256.917   9.2962  256.917   9.2962 0.000000 0.000000 
1 1 1  -14    0   15 f  129.630   18.369   62.045   15.526   62.045   15.526   62.045   15.526  129.630   18.369  129.630   18.369 0.000000 0.000000 
1 1 1  -14    0   16 o  315.218   9.1877  346.006   20.006  346.006   20.006  346.006   20.006  315.218   9.1877  315.218   9.1877 0.000000 0.000000 
1 1 1  -14    0   17 o  269.262   10.203  253.735   18.953  253.735   18.953  253.735   18.953  269.262   10.203  269.262   10.203 0.000000 0.000000 
1 1 1  -14    0   18 o  130.998   18.350   64.602   15.701   64.602   15.701   64.602   15.701  130.998   18.350  130.998   18.350 0.000000 0.000000 
1 1 1  -14    0   19 o  238.693   20.240  213.366   32.884  213.366   32.884  213.366   32.884  238.693   20.240  238.693   20.240 0.000000 0.000000 
1 1 1  -14    0   20 o   52.839   29.108   17.279   15.438   17.279   15.438   17.279   15.438   52.839   29.108   52.839   29.108 0.000000 0.000000 
1 1 1  -14    0   21 o  189.903   13.591  134.929   17.653  134.929   17.653  134.929   17.653  189.903   13.591  189.903   13.591 0.000000 0.000000 
1 1 1  -14    2    1 o  870.869   6.6073  2625.40   39.825  2624.40   56.291  2626.41   56.350  870.559   9.3425  870.893   9.3488 -0.3333130 13.21673 
1 1 1  -14    2    2 o   58.951   14.729   12.523   5.9924   19.606   8.3786   5.1067   8.5737   73.718   16.796   47.688   18.379 26.03057 24.89804 
1 1 1  -14    2    3 o  505.679   6.9684  885.362   24.389  884.390   34.420  886.341   34.562  505.272   9.8425  505.827   9.8724 -0.5555115 13.94052 
1 1 1  -14    2    4 o  600.951   6.2475  1250.36   25.985  1234.85   31.730  1281.95   45.279  597.137   7.6776  608.204   10.757 -11.06677 13.21543 
1 1 1  -14    2    5 o  278.181   5.5203  267.894   10.628  267.239   15.232  268.515   14.838  277.787   7.9224  278.455   7.6991 -0.6682739 11.04718 
1 1 1  -14    2    6 o  174.781   7.6286  105.774   9.2281   99.604   13.134  111.790   12.969  169.176   11.281  179.332   10.495 -10.15659 15.40816 
1 1 1  -14    2    7 o  437.178   5.3505  661.547   16.190  664.769   23.036  658.403   22.758  438.191   7.5955  436.090   7.5401 2.101685 10.70258 
1 1 1  -14    2    8 f  412.429   6.6766  588.805   19.058  610.244   33.388  578.445   23.211  419.750   11.493  408.754   8.2045 10.99619 14.12082 
1 1 1  -14    2    9 o  772.417   9.1732  2065.73   49.040   0.0000   0.0000  2065.73   49.040  ?   ?   772.417   9.1732 0.000000 9.173173 
1 1 1  -14    2   10 o  613.187   5.8387  1301.47   24.779  1315.61   50.057  1296.88   28.518  616.291   11.735  612.081   6.7319 4.210022 13.52924 
1 1 1  -14    2   12 o  458.948   12.691  730.244   40.312   0.0000   0.0000  730.244   40.312  ?   ?   458.948   12.691 0.000000 12.69106 
1 1 1  -14    2   13 o  208.639   10.088  150.870   14.567  214.537   29.623  130.566   16.729  247.823   17.381  193.608   12.552 54.21532 21.43932 
1 1 1  -14    2   14 o  244.801   10.526  207.900   17.834  207.900   17.834   0.0000   0.0000  244.801   10.526  ?   ?  0.000000 10.52564 
1 1 1  -14    2   15 o  283.869   7.4563  279.389   14.649  273.762   19.131  287.366   22.778  280.798   9.8437  287.523   11.446 -6.725128 15.09692 
1 1 1  -14    2   16 o  156.933   10.740   86.090   11.595   66.537   17.485  101.437   15.491  136.235   19.067  169.992   13.272 -33.75647 23.23098 
1 1 1  -14    2   17 o   58.178   20.310   10.821   10.060   21.821   14.015  -0.8669   14.447   77.756   23.808   51.501   22.226 26.25471 32.57034 
1 1 1  -14    2   18 o   94.731   16.898   32.686   10.672   34.822   14.927   30.453   15.265   96.413   22.739   90.055   24.041 6.357811 33.09101 
1 1 1  -14    2   19 o  104.068   22.301   40.836   15.579   40.836   15.579   0.0000   0.0000  104.068   22.301  ?   ?  0.000000 22.30062 
1 1 1  -14    2   20 o   48.124   21.589  -4.9560   14.913   0.0000   0.0000  -4.9560   14.913  ?   ?    48.124   21.589 0.000000 21.58871 
1 1 1  -14    2   21 o   84.304   25.161   28.263   15.798   28.263   15.798   0.0000   0.0000   84.304   25.161  ?   ?  0.000000 25.16134 
1 1 1  -14    4    1 o  846.237   6.4803  2479.00   37.955  2392.41   51.931  2578.30   55.610  831.195   9.0270  862.865   9.3118 -31.66998 12.96909 
1 1 1  -14    4    2 o  142.755   7.1128   70.555   7.0276   74.465   9.9520   66.667   9.9250  146.293   9.8871  138.336   10.443 7.956360 14.38106 
1 1 1  -14    4    3 o  469.508   6.8737  763.240   22.336  757.073   31.163  769.756   32.031  467.490   9.6315  471.380   9.8181 -3.890137 13.75360 
1 1 1  -14    4    4 o  175.581   7.7212  106.766   9.3830   95.745   11.385  130.098   16.566  165.934   9.9597  193.305   12.449 -27.37051 15.94252 
1 1 1  -14    4    5 o  204.321   6.4774  144.540   9.1600  137.609   12.675  152.117   13.253  199.313   9.1882  209.557   9.1375 -10.24425 12.95827 
1 1 1  -14    4    6 o  318.419   7.7852  351.068   17.157  351.068   17.157   0.0000   0.0000  318.419   7.7852  ?   ?  0.000000 7.785243 
1 1 1  -14    4    7 o  438.298   6.3849  665.000   19.369  654.589   23.909  684.878   33.037  434.816   7.9447  444.674   10.734 -9.857452 13.35457 
1 1 1  -14    4    8 o  241.839   6.7651  202.454   11.323  200.827   15.711  204.213   16.335  240.831   9.4254  242.848   9.7188 -2.017242 13.53861 
1 1 1  -14    4    9 o  1691.22   16.531  9914.52  193.493   0.0000   0.0000  9914.52  193.493  ?   ?   1691.22   16.531 0.000000 16.53061 
1 1 1  -14    4   10 o  279.071   6.4726  269.589   12.502  237.561   24.363  281.036   14.566  261.495   13.507  284.922   7.3863 -23.42731 15.39497 
1 1 1  -14    4   14 o  202.972   8.7724  142.818   12.323  149.639   17.012  135.286   17.876  207.270   11.909  196.892   13.194 10.37828 17.77385 
1 1 1  -14    4   15 o  215.533   11.226  161.894   16.689  161.894   16.689   0.0000   0.0000  215.533   11.226  ?   ?  0.000000 11.22647 
1 1 1  -14    4   16 o  157.833   10.135   86.985   11.013   85.564   15.905   88.294   15.263  155.715   14.941  158.371   14.071 -2.655930 20.52437 
1 1 1  -14    4   17 o  234.767   7.5014  191.424   12.189  187.730   16.754  195.577   17.765  232.099   10.430  236.835   10.838 -4.735397 15.04127 
1 1 1  -14    4   18 f  127.468   16.286   58.352   14.039   64.218   15.735   35.454   31.088  133.473   17.451  100.103   35.636 33.37004 39.67993 
1 1 1  -14    4   19 o   61.182   21.276   12.489   11.034   11.721   15.239   13.336   15.997   64.578   24.597   67.211   25.295 -2.632622 35.28228 
1 1 1  -14    4   20 o   79.253   22.721   23.977   13.108   29.907   27.458   22.227   14.917   90.517   33.317   76.998   24.704 13.51904 41.47637 
1 1 1  -14    6    1 f  388.242   4.6790  521.716   12.573  495.093   17.239  551.969   18.377  378.171   6.5863  399.301   6.6495 -21.13004 9.359249 
1 1 1  -14    6    2 o  449.745   5.5671  700.186   17.329  636.097   28.226  738.953   21.953  428.542   9.5167  461.991   6.8657 -33.44913 11.73477 
1 1 1  -14    6    3 o  331.162   6.7930  379.717   15.570  330.927   20.639  444.146   23.718  309.071   9.6486  358.063   9.5706 -48.99173 13.59011 
1 1 1  -14    6    4 f  243.797   6.4603  205.794   10.901  185.390   13.114  251.415   19.609  231.358   8.1897  269.350   10.519 -37.99208 13.33085 
1 1 1  -14    6    5 o  177.415   7.1328  108.988   8.7584  117.875   12.223   99.610   12.556  184.212   9.6205  169.205   10.778 15.00652 14.44693 
1 1 1  -14    6    6 o  303.846   5.5504  319.577   11.672  325.140   16.721  314.290   16.301  306.435   7.8842  301.281   7.8173 5.154724 11.10274 
1 1 1  -14    6    7 o  154.121   12.929   82.881   13.664   82.881   13.664   0.0000   0.0000  154.121   12.929  ?   ?  0.000000 12.92873 
1 1 1  -14    6    8 o  712.699   7.0718  1758.32   34.883  1766.83   59.663  1753.90   42.998  714.206   12.070  711.744   8.7286 2.461670 14.89536 
1 1 1  -14    6    9 o  1659.87   13.243  9544.64  152.140   0.0000   0.0000  9544.64  152.140  ?   ?   1659.87   13.243 0.000000 13.24324 
1 1 1  -14    6   10 o  1335.37   9.5087  6174.89   87.882  6053.66  171.647  6217.96  102.309  1320.98   18.774  1339.87   11.032 -18.89429 21.77582 
1 1 1  -14    6   11 o  658.939   7.2304  1503.29   32.975  1509.27   55.792  1500.09   40.879  659.956   12.215  658.151   8.9743 1.805298 15.15704 
1 1 1  -14    6   12 o   87.703   17.910   27.689   10.504   28.017   14.385   27.315   15.373   88.128   23.249   87.330   24.460 0.7980804 33.74565 
1 1 1  -14    6   13 o  424.632   5.9453  624.326   17.473  625.467   24.056  623.053   25.421  424.914   8.1798  424.067   8.6613 0.8476563 11.91335 
1 1 1  -14    6   14 o  506.088   8.2871  887.769   29.027  970.732   46.456  834.634   37.178  528.633   12.697  490.414   10.953 38.21915 16.76900 
1 1 1  -14    6   15 o   93.800   16.116   31.574   10.085   38.686   14.221   24.378   14.305  103.191   20.633   82.210   23.786 20.98029 31.48751 
1 1 1  -14    6   16 o  128.139   12.313   57.759   10.786   66.666   14.947   48.081   15.580  137.032   16.064  115.113   20.297 21.91938 25.88520 
1 1 1  -14    6   17 o   96.255   16.717   33.538   10.733   39.371   15.767   28.501   14.651  103.043   22.720   87.662   23.617 15.38173 32.77110 
1 1 1  -14    6   18 o   77.900   19.563   22.512   10.533   3.9590   14.805   41.523   14.987   56.214   23.280  105.804   21.205 -49.59022 31.48960 
1 1 1  -14    6   19 o   65.829   22.163   15.095   11.951   3.7605   18.721   22.890   15.526   61.247   25.826   78.808   25.194 -17.56132 36.07977 
1 1 1  -14    6   20 o  152.310   11.757   82.324   12.298   70.349   15.627  101.805   19.933  139.010   16.569  167.107   17.494 -28.09738 24.09503 
1 1 1  -14    8    1 o  338.034   4.7383  395.515   11.086  376.360   15.278  416.813   16.110  329.710   6.6950  346.977   6.7084 -17.26691 9.477674 
1 1 1  -14    8    2 o  360.750   5.5166  450.509   13.774  429.902   22.643  462.612   17.354  352.295   9.2865  365.530   6.8595 -13.23508 11.54520 
1 1 1  -14    8    3 o  735.942   6.9177  1875.38   35.236  1836.23   42.387  1962.93   63.390  728.119   8.4112  752.461   12.172 -24.34296 14.79534 
1 1 1  -14    8    4 o  876.994   7.7886  2663.61   47.275  2615.64   56.925  2770.24   84.868  868.903   9.4657  893.660   13.721 -24.75708 16.66956 
1 1 1  -14    8    5 o  401.154   5.1335  557.047   14.253  574.524   20.214  539.768   20.099  407.344   7.1700  394.824   7.3553 12.51920 10.27177 
1 1 1  -14    8    6 o   59.159   19.896   11.337   9.6310   6.5527   11.882   20.502   16.446   55.453   21.562   78.682   25.988 -23.22923 33.76853 
1 1 1  -14    8    7 o  699.338   6.9299  1693.05   33.542  1704.39   57.412  1687.18   41.329  701.443   11.826  698.060   8.5543 3.383118 14.59546 
1 1 1  -14    8    8 o  307.086   6.6767  326.428   14.190  303.268   22.872  340.921   18.094  295.918   11.168  313.805   8.3309 -17.88690 13.93279 
1 1 1  -14    8    9 o  579.201   5.7008  1161.16   22.853  1165.85   45.379  1159.57   26.452  580.199   11.301  578.784   6.6035 1.415344 13.08848 
1 1 1  -14    8   10 o  1549.68   12.505  8320.03  134.118   0.0000   0.0000  8320.03  134.118  ?   ?   1549.68   12.505 0.000000 12.50459 
1 1 1  -14    8   11 o  329.188   7.9663  375.225   18.150  341.659   28.674  397.666   23.445  313.956   13.196  338.830   9.9973 -24.87466 16.55530 
1 1 1  -14    8   15 o  365.748   6.1996  463.575   15.694  467.652   21.884  459.259   22.518  367.113   8.6130  363.765   8.9439 3.347748 12.41682 
1 1 1  -14    8   16 o  184.381   9.2722  118.449   11.795  116.896   16.110  120.243   17.315  182.599   12.829  185.058   13.615 -2.458557 18.70675 
1 1 1  -14    8   17 o  128.584   15.337   58.896   13.380   62.698   14.810   42.020   31.205  132.434   16.517  107.198   35.815 25.23528 39.43979 
1 1 1  -14    8   18 o   76.352   19.681   21.628   10.466   16.207   14.546   27.447   15.071   69.827   24.420   85.648   24.299 -15.82061 34.44996 
1 1 1  -14    8   19 o  121.704   13.253   52.851   10.983   62.313   15.125   42.297   15.974  131.056   17.081  105.789   22.509 25.26643 28.25607 
1 1 1  -14    8   20 o  164.000   10.298   94.866   11.629   94.550   15.748   95.245   17.247  162.380   14.154  162.409   15.533 -0.2899170E-01 21.01447 
1 1 1  -14   10    1 o  765.096   7.0216  2026.83   37.182  1974.09   44.475  2149.27   67.764  754.979   8.5114  787.404   12.434 -32.42523 15.06848 
1 1 1  -14   10    2 o  858.453   9.3104  2552.86   55.317  2426.34   74.349  2709.76   82.791  836.521   12.842  883.933   13.533 -47.41132 18.65594 
1 1 1  -14   10    3 o  605.308   6.2848  1268.58   26.330  1208.58   31.041  1422.44   49.711  590.754   7.5919  640.616   11.212 -49.86218 13.54051 
1 1 1  -14   10    4 o  1336.18   18.886  6204.88  174.658   0.0000   0.0000  6204.88  174.658  ?   ?   1336.18   18.886 0.000000 18.88622 
1 1 1  -14   10    5 o  453.183   5.2751  710.908   16.545  703.012   23.218  719.057   23.584  450.598   7.4447  455.710   7.4776 -5.111877 10.55170 
1 1 1  -14   10    6 o   63.087   20.075   13.529   9.8659   30.010   11.973 -21.3366   17.414   91.250   19.546   44.473   21.086 46.77686 28.75236 
1 1 1  -14   10    7 o  361.669   6.2052  452.779   15.533  416.098   24.782  476.514   19.934  346.628   10.330  371.000   7.7634 -24.37161 12.92184 
1 1 1  -14   10    8 o  619.557   5.7122  1328.61   24.494  1345.37   48.690  1322.93   28.341  623.271   11.287  618.210   6.6238 5.060974 13.08717 
1 1 1  -14   10    9 o  1162.36   8.4594  4677.65   68.055  4648.78  134.830  4687.52   78.834  1158.01   16.823  1163.50   9.7897 -5.497559 19.46393 
1 1 1  -14   10   10 o  732.757   9.1849  1859.28   46.581   0.0000   0.0000  1859.28   46.581  ?   ?   732.757   9.1849 0.000000 9.184857 
1 1 1  -14   10   11 o  513.090   5.9502  911.348   21.130  963.903   42.796  894.407   24.298  527.415   11.724  508.268   6.9073 19.14667 13.60749 
1 1 1  -14   10   12 o  648.696   12.418  1459.02   55.752  1459.02   55.752   0.0000   0.0000  648.696   12.418  ?   ?  0.000000 12.41768 
1 1 1  -14   10   13 o  222.764   8.2709  171.926   12.752  173.777   16.549  169.219   20.007  223.873   10.681  220.417   13.175 3.456802 16.96033 
1 1 1  -14   10   14 o  396.862   6.0084  545.544   16.504  563.823   23.014  526.193   23.679  403.290   8.2452  389.554   8.7826 13.73605 12.04645 
1 1 1  -14   10   15 o  305.787   8.1223  324.394   17.190  340.878   31.634  317.487   20.477  312.586   14.622  302.344   9.7857 10.24243 17.59445 
1 1 1  -14   10   16 f  142.404   11.018   71.033   10.775   75.747   14.884   65.843   15.618  146.378   14.899  135.921   16.972 10.45702 22.58378 
1 1 1  -14   10   17 o  161.718   9.9400   91.453   11.072  102.172   15.957   81.502   15.375  170.214   13.660  151.633   14.841 18.58185 20.17004 
1 1 1  -14   10   18 o  127.559   13.421   57.813   11.671   53.659   18.007   60.823   15.327  120.116   22.486  129.733   17.517 -9.617012 28.50428 
1 1 1  -14   10   19 o   43.388   18.929  -1.3739   10.713  -1.5431   14.027  -1.1371   16.594   49.540   21.635   54.136   23.589 -4.596603 32.00823 
1 1 1  -14   10   20 o   92.652   18.637   32.212   11.537   33.559   14.280   29.678   19.579   93.336   22.392   87.447   28.328 5.889488 36.10935 
1 1 1  -14   12    1 o  336.500   6.7127  392.063   15.634  348.098   20.787  449.317   23.721  316.985   9.4748  360.133   9.5169 -43.14764 13.42925 
1 1 1  -14   12    2 o  615.799   6.3169  1312.94   26.923  1260.19   32.009  1440.49   49.776  603.231   7.6668  644.674   11.156 -41.44275 13.53639 
1 1 1  -14   12    3 o  401.654   5.7164  558.505   15.891  530.316   18.829  628.293   29.626  391.348   6.9516  425.828   10.052 -34.48004 12.22184 
1 1 1  -14   12    4 f  530.372   10.535  974.634   38.672   0.0000   0.0000  974.634   38.672  ?   ?   530.372   10.535 0.000000 10.53512 
1 1 1  -14   12    5 o  374.445   6.0071  485.362   15.568  488.742   19.129  478.732   26.791  375.716   7.3562  371.756   10.413 3.959839 12.74898 
1 1 1  -14   12    6 o  380.080   5.1576  500.020   13.567  499.024   26.316  500.380   15.834  379.594   10.017  380.203   6.0173 -0.6091309 11.68508 
1 1 1  -14   12    7 o  147.370   8.8345   75.465   8.9693   49.805   16.702   85.865   10.633  118.006   21.230  157.163   9.8242 -39.15612 23.39320 
1 1 1  -14   12    8 o  665.586   6.8503  1533.48   31.557  1498.54   52.722  1552.99   39.392  657.784   11.581  669.755   8.4980 -11.97076 14.36411 
1 1 1  -14   12    9 o  229.516   7.1017  182.354   11.281  165.610   21.646  188.597   13.218  218.139   14.419  233.400   8.1826 -15.26062 16.57877 
1 1 1  -14   12   10 o  352.384   7.0251  429.882   17.133   0.0000   0.0000  429.882   17.133  ?   ?   352.384   7.0251 0.000000 7.025105 
1 1 1  -14   12   11 o  226.880   8.2537  178.254   12.960  131.805   25.273  194.827   15.097  193.875   19.082  237.173   9.1968 -43.29726 21.18288 
1 1 1  -14   12   12 o  122.953   15.284   53.277   12.726   88.585   26.739   42.936   14.470  157.389   25.412  109.442   19.834 47.94771 32.23590 
1 1 1  -14   12   13 o  275.422   8.3186  262.836   15.857  240.195   29.875  271.717   18.710  262.298   16.541  279.976   9.6557 -17.67767 19.15307 
1 1 1  -14   12   14 f   95.540   16.120   32.670   10.280   44.417   14.394   20.443   14.685  111.150   19.418   76.918   24.494 34.23195 31.25736 
1 1 1  -14   12   15 o  135.083   10.580   63.810   9.8127   62.666   11.603   66.683   18.388  133.549   12.706  136.340   20.088 -2.790924 23.76953 
1 1 1  -14   12   16 o  395.096   6.4693  541.413   17.691  541.413   17.691   0.0000   0.0000  395.096   6.4693  ?   ?  0.000000 6.469344 
1 1 1  -14   12   17 o   99.872   13.653   35.593   9.1902   42.542   10.855   18.005   17.270  109.094   14.755   74.690   26.564 34.40470 30.38656 
1 1 1  -14   12   18 o   87.983   15.977   28.209   9.3707   33.768   11.135   14.712   17.348   96.090   17.383   70.490   26.378 25.60000 31.59043 
1 1 1  -14   12   19 o   99.517   13.690   35.640   9.1799   30.341   10.619   51.317   18.265   90.589   17.570  116.246   23.510 -25.65710 29.34979 
1 1 1  -14   12   20 o  103.069   13.368   38.340   9.3115   43.369   10.729   22.985   18.746  109.330   14.539   79.191   27.721 30.13958 31.30192 
1 1 1  -14   14    1 o  841.213   7.5316  2450.60   43.850  2244.39   69.828  2584.86   56.345  804.529   12.540  863.774   9.4250 -59.24469 15.68735 
1 1 1  -14   14    2 o  255.296   6.2659  225.655   11.071  207.782   13.159  268.976   20.486  244.945   7.7618  278.598   10.624 -33.65332 13.15749 
1 1 1  -14   14    3 o  416.165   5.8474  599.582   16.843  566.766   19.867  683.415   31.755  404.578   7.0951  444.121   10.331 -39.54315 12.53250 
1 1 1  -14   14    4 o  665.107   8.2660  1531.86   38.051  1504.39   53.270  1560.49   54.371  658.895   11.681  671.065   11.706 -12.17047 16.53764 
1 1 1  -14   14    5 o  107.284   12.078   40.384   8.8124   23.020   15.103   49.348   10.851   81.202   24.684  118.565   13.462 -37.36343 28.11642 
1 1 1  -14   14    6 o  984.540   8.5309  3356.15   58.131  3315.61   98.539  3377.79   71.992  978.085   14.556  987.573   10.533 -9.487976 17.96740 
1 1 1  -14   14    7 o  258.758   7.0075  231.776   12.550  251.512   20.382  219.724   15.927  269.490   10.928  251.914   9.1348 17.57661 14.24278 
1 1 1  -14   14    8 o  561.406   5.5550  1090.89   21.584  1043.42   41.168  1108.89   25.347  548.909   10.836  566.000   6.4705 -17.09064 12.62109 
1 1 1  -14   14    9 o  1050.36   9.0586  3819.98   65.853  3931.22  116.400  3767.61   79.862  1064.94   15.793  1042.99   11.063 21.94958 19.28207 
1 1 1  -14   14   10 o  386.303   6.7548  516.619   18.060  519.024   31.610  515.453   22.005  387.048   11.800  385.830   8.2404 1.217682 14.39260 
1 1 1  -14   14   11 o  247.093   12.449  212.171   21.222   0.0000   0.0000  212.171   21.222  ?   ?   247.093   12.449 0.000000 12.44919 
1 1 1  -14   14   12 o  986.771   8.8380  3373.24   60.360  3411.22  105.518  3354.77   73.589  991.229   15.381  983.804   10.808 7.425232 18.79812 
1 1 1  -14   14   13 o  373.320   6.1935  482.650   16.003  528.830   22.529  435.625   22.734  390.654   8.3325  354.505   9.2659 36.14963 12.46143 
1 1 1  -14   14   14 o  220.547   6.9617  168.565   10.627  166.052   12.485  175.171   20.243  218.834   8.2434  224.043   13.112 -5.208817 15.48774 
1 1 1  -14   14   15 o   63.612   18.824   14.424   8.8705   31.544   10.283 -35.3805   17.538   93.612   16.472   38.625   18.972 54.98760 25.12545 
1 1 1  -14   14   16 o  234.241   7.9020  190.542   12.811  200.473   16.336  174.683   20.646  240.038   9.8333  223.156   13.430 16.88200 16.64488 
1 1 1  -14   14   17 o  347.857   7.0745  420.284   17.032  398.479   21.736  454.976   27.416  338.266   9.2840  361.001   10.973 -22.73489 14.37347 
1 1 1  -14   14   18 o  153.606   11.126   83.029   11.748   79.566   15.303   88.000   18.333  149.337   15.009  156.412   17.220 -7.074524 22.84299 
1 1 1  -14   14   19 o   97.886   14.988   34.779   9.8307   33.172   11.732   38.566   18.011   94.454   18.609   99.733   25.872 -5.278801 31.86966 
1 1 1  -14   14   20 o   52.954   19.315   8.7648   9.1994   6.8427   10.553   14.849   18.775   52.032   20.296   70.303   27.169 -18.27167 33.91296 
1 1 1  -14   16    1 f  746.861   6.9655  1931.43   36.005  1772.68   57.812  2032.03   46.021  715.133   11.680  765.940   8.6812 -50.80756 14.55307 
1 1 1  -14   16    2 o  447.748   4.9995  693.964   15.493  639.073   20.897  760.963   23.087  429.616   7.0280  468.796   7.1156 -39.17999 10.00126 
1 1 1  -14   16    3 o  727.579   6.0292  1832.60   30.361  1761.56   41.521  1914.23   44.508  713.213   8.4114  743.463   8.6498 -30.24927 12.06528 
1 1 1  -14   16    4 o  819.308   12.824  2326.34   72.718  2326.34   72.718   0.0000   0.0000  819.308   12.824  ?   ?  0.000000 12.82382 
1 1 1  -14   16    5 o  1289.78   10.535  5761.68   94.047  5414.63  152.380  5975.21  119.528  1249.37   17.622  1313.15   13.152 -63.77783 21.98884 
1 1 1  -14   16    6 o  885.265   6.8403  2712.88   41.911  2680.98   82.019  2724.16   48.757  879.645   13.472  887.054   7.9416 -7.409119 15.63845 
1 1 1  -14   16    7 o  928.442   7.1072  2983.94   45.670  2942.93   89.235  2998.50   53.160  921.631   13.989  930.653   8.2531 -9.022644 16.24250 
1 1 1  -14   16    8 o  913.588   7.0746  2889.23   44.733  2916.10   89.174  2880.20   51.710  917.409   14.044  912.111   8.1912 5.297791 16.25838 
1 1 1  -14   16    9 o  556.822   6.6418  1073.29   25.596  1077.07   42.825  1071.19   31.927  557.644   11.096  556.227   8.2933 1.417664 13.85268 
1 1 1  -14   16   10 o  999.681   8.8728  3460.82   61.391  3700.00  111.453  3356.64   73.555  1032.88   15.591  984.352   10.797 48.53046 18.96396 
1 1 1  -14   16   11 o  221.611   11.306  170.643   17.284   0.0000   0.0000  170.643   17.284  ?   ?   221.611   11.306 0.000000 11.30643 
1 1 1  -14   16   12 o  269.933   6.9259  252.329   12.939  255.526   18.072  248.967   18.534  271.549   9.6159  268.027   9.9911 3.522064 13.86679 
1 1 1  -14   16   13 o  327.404   7.8629  371.435   17.817  378.390   32.399  368.420   21.333  329.968   14.187  325.977   9.4556 3.990997 17.04892 
1 1 1  -14   16   14 o   93.536   14.628   31.198   9.1597   32.706   10.844   27.444   17.111   95.375   17.054   87.558   26.198 7.816925 31.25971 
1 1 1  -14   16   15 f   77.363   19.092   21.866   10.160   21.866   10.160   0.0000   0.0000   77.363   19.092  ?   ?  0.000000 19.09225 
1 1 1  -14   16   16 o  172.961   9.6273  104.405   11.479   99.539   14.465  112.683   18.865  168.376   12.502  178.571   15.415 -10.19485 19.84741 
1 1 1  -14   16   17 o  149.119   11.212   78.116   11.487   94.367   14.981   54.927   17.895  163.499   13.355  122.070   21.990 41.42913 25.72760 
1 1 1  -14   16   18 o   66.863   18.538   16.487   8.8774   18.283   10.352   11.498   17.257   70.377   20.197   66.811   25.984 3.565811 32.91021 
1 1 1  -14   16   19 o  190.983   8.4647  127.364   11.189  148.911   13.529   80.732   19.903  206.274   9.4765  147.947   19.946 58.32710 22.08231 
1 1 1  -14   16   20 o   63.991   19.368   15.267   9.3128   8.9208   10.903   32.395   17.910   55.214   20.859   90.300   26.754 -35.08589 33.92469 
1 1 1  -14   18    1 o  1022.03   7.5397  3616.89   53.333  3416.57   71.358  3870.40   80.275  993.062   10.382  1056.89   10.974 -63.82825 15.10710 
1 1 1  -14   18    2 o  1237.53   12.472  5307.81  106.824   0.0000   0.0000  5307.81  106.824  ?   ?   1237.53   12.472 0.000000 12.47196 
1 1 1  -14   18    3 o  564.763   6.2074  1104.15   24.263  951.219   37.837  1210.96   31.621  524.030   10.432  591.394   7.7254 -67.36365 12.98137 
1 1 1  -14   18    4 o  534.519   5.9823  989.003   22.131  899.024   36.088  1043.24   28.018  509.485   10.234  548.939   7.3746 -39.45407 12.61454 
1 1 1  -14   18    5 o  150.525   8.0266   78.667   8.3319   64.927   14.490   85.454   10.184  135.958   15.687  156.810   9.4272 -20.85245 18.30156 
1 1 1  -14   18    6 o  429.169   5.9978  637.533   17.815  580.488   28.112  675.818   23.031  409.438   9.9204  441.839   7.5312 -32.40060 12.45526 
1 1 1  -14   18    7 o  227.566   6.5709  179.256   10.349  147.024   19.065  192.722   12.323  205.569   13.474  235.949   7.5460 -30.38005 15.44343 
1 1 1  -14   18    8 o  256.826   7.4204  228.339   13.190  210.878   20.785  240.112   17.067  246.738   12.171  263.336   9.3642 -16.59888 15.35649 
1 1 1  -14   18    9 o  435.986   6.3575  658.005   19.184  680.488   33.249  646.785   23.488  443.240   10.838  432.218   7.8517 11.02222 13.38341 
1 1 1  -14   18   10 o  875.320   6.9085  2652.66   41.853  2716.38   60.067  2592.54   58.348  885.563   9.8003  865.145   9.7446 20.41827 13.82036 
1 1 1  -14   18   11 o  349.710   8.6611  423.602   20.963   0.0000   0.0000  423.602   20.963  ?   ?   349.710   8.6611 0.000000 8.661085 
1 1 1  -14   18   13 o  390.350   7.1917  527.936   19.429  549.726   22.708  468.390   37.539  398.248   8.2384  366.961   14.780 31.28696 16.92116 
1 1 1  -14   18   14 o  209.317   10.111  152.154   14.648  139.671   16.257  206.000   33.765  200.078   11.792  241.436   20.397 -41.35756 23.56056 
1 1 1  -14   18   15 o  281.315   6.1395  274.346   11.954  277.513   13.995  265.805   22.983  282.845   7.1493  276.211   12.022 6.633850 13.98756 
1 1 1  -14   18   16 o   35.692   16.124  -4.4300   8.4874 -12.9606   9.8228   20.702   16.860   32.609   15.567   77.882   26.324 -45.27321 30.58276 
1 1 1  -14   18   17 o  129.969   12.930   59.798   11.476   71.299   15.128   44.210   17.613  141.322   15.734  108.577   24.070 32.74496 28.75626 
1 1 1  -14   18   18 o  125.912   10.616   55.880   9.1655   58.949   10.610   46.854   18.196  129.025   12.019  111.094   24.339 17.93172 27.14454 
1 1 1  -14   18   19 o  153.310   9.3351   82.560   9.8581   85.281   11.348   74.195   19.901  155.493   10.608  141.128   21.015 14.36490 23.54106 
1 1 1  -14   18   20 o   61.135   21.721   12.725   11.544   12.725   11.544   0.0000   0.0000   61.135   21.721  ?   ?  0.000000 21.72110 
1 1 1  -14   20    1 o  256.089   5.5529  227.012   9.8421  214.997   13.647  240.035   14.208  249.184   7.9130  263.296   7.7965 -14.11243 11.10861 
1 1 1  -14   20    2 o  663.229   5.7161  1522.63   26.239  1336.58   47.524  1604.21   31.470  621.153   11.054  680.731   6.6795 -59.57745 12.91572 
1 1 1  -14   20    3 o  644.125   6.6483  1436.28   29.638  1341.46   47.615  1496.26   37.869  622.308   11.055  657.372   8.3234 -35.06305 13.83807 
1 1 1  -14   20    4 o  958.585   7.2241  3181.06   47.928  3119.02   93.087  3203.44   55.908  948.682   14.177  961.887   8.3980 -13.20502 16.47781 
1 1 1  -14   20    5 o  962.391   8.3832  3206.62   55.839  3044.39   91.160  3304.05   70.644  937.342   14.052  976.778   10.450 -39.43591 17.51122 
1 1 1  -14   20    6 o  1021.69   7.6197  3613.61   53.881  3405.85  100.447  3697.54   63.843  991.421   14.639  1033.42   8.9260 -42.00232 17.14543 
1 1 1  -14   20    7 o  840.240   6.6984  2443.84   38.954  2347.80   73.912  2480.77   45.836  823.254   12.972  846.523   7.8234 -23.26886 15.14842 
1 1 1  -14   20    8 o  500.357   7.4573  866.708   25.825  866.708   25.825   0.0000   0.0000  500.357   7.4573  ?   ?  0.000000 7.457346 
1 1 1  -14   20    9 o  576.585   5.6418  1150.78   22.514  1168.30   31.709  1132.96   31.973  580.884   7.8870  572.023   8.0761 8.861572 11.28837 
1 1 1  -14   20   10 o  333.342   6.9053  384.720   15.931  365.854   27.505  394.245   19.543  324.892   12.232  337.404   8.3690 -12.51151 14.82104 
1 1 1  -14   20   11 o  312.130   6.3267  337.324   13.668  346.587   18.999  327.388   19.676  316.314   8.6784  307.408   9.2481 8.906464 12.68242 
1 1 1  -14   20   12 o  315.684   7.1016  345.175   15.516  334.488   24.091  352.751   20.283  310.552   11.209  319.034   9.1860 -8.481812 14.49184 
1 1 1  -14   20   13 o  259.497   10.487  233.702   18.835   0.0000   0.0000  233.702   18.835  ?   ?   259.497   10.487 0.000000 10.48690 
1 1 1  -14   20   14 o  342.836   9.4520  408.102   22.428   0.0000   0.0000  408.102   22.428  ?   ?   342.836   9.4520 0.000000 9.452020 
1 1 1  -14   20   15 o  122.682   11.162   52.834   9.3741   47.943   10.847   67.268   18.633  116.371   13.732  136.621   20.325 -20.25046 24.52868 
1 1 1  -14   20   16 o   40.968   18.215  -3.5596   10.367   1.0903   13.079 -11.4195   17.005   50.821   21.517   48.451   22.245 2.370090 30.94856 
1 1 1  -14   20   17 o  171.416   10.090  102.902   11.918  108.203   14.921   93.561   19.807  175.276   12.380  161.305   18.051 13.97101 21.88833 
1 1 1  -14   20   18 o   40.030   17.175  -0.1157   8.5318  -1.7027   9.7151   5.2341   17.837   40.995   17.951   61.373   25.496 -20.37798 31.18127 
1 1 1  -14   20   19 o  147.883   9.8267   77.005   10.000   78.329   11.545   73.024   20.013  148.747   11.299  139.656   21.386 9.090775 24.18703 
1 1 1  -14   20   20 o   97.685   15.000   35.059   9.8170   34.892   11.417   35.532   19.228   96.390   17.769   93.554   27.721 2.836098 32.92719 
1 1 1  -14   22    1 o  372.988   5.8821  481.567   15.185  451.902   25.482  497.901   18.909  361.219   10.193  379.235   7.2040 -18.01645 12.48149 
1 1 1  -14   22    2 o  699.686   6.8195  1694.75   33.024  1599.51   54.479  1750.08   41.523  679.515   11.584  710.949   8.4387 -31.43372 14.33176 
1 1 1  -14   22    3 o  344.930   5.7107  411.821   13.633  381.512   23.069  428.087   16.900  331.914   10.042  351.656   6.9437 -19.74255 12.20898 
1 1 1  -14   22    4 f  724.185   6.0293  1815.31   30.220  1771.22   58.352  1831.47   35.326  715.096   11.790  727.371   7.0172 -12.27454 13.72031 
1 1 1  -14   22    5 o  864.045   6.7514  2584.28   40.374  2463.90   76.215  2631.25   47.603  843.359   13.057  871.816   7.8891 -28.45673 15.25540 
1 1 1  -14   22    6 f  526.534   5.4091  959.569   19.712  879.024   36.220  993.464   23.496  503.833   10.387  535.735   6.3368 -31.90268 12.16721 
1 1 1  -14   22    7 o  1663.17   13.208  9583.14  152.038  9346.00  181.010 10151.22  280.163  1642.05   15.927  1709.65   23.677 -67.59534 28.53552 
1 1 1  -14   22    8 o  740.156   6.2011  1896.36   31.766  1841.74   43.458  1959.02   46.550  729.322   8.6094  752.168   8.9419 -22.84619 12.41287 
1 1 1  -14   22    9 o  1262.12   9.0277  5516.63   78.859  5525.07  111.498  5508.17  111.550  1262.61   12.759  1260.67   12.785 1.936157 18.06219 
1 1 1  -14   22   10 o  498.477   5.6442  860.192   19.473  863.249   27.241  856.997   27.845  499.276   7.8834  497.456   8.0876 1.820404 11.29407 
1 1 1  -14   22   11 o  565.585   8.3906  1108.11   32.845   0.0000   0.0000  1108.11   32.845  ?   ?   565.585   8.3906 0.000000 8.390554 
1 1 1  -14   22   12 o  502.153   6.5727  873.362   22.843  925.366   38.421  844.929   28.410  516.515   10.748  493.784   8.3129 22.73074 13.58735 
1 1 1  -14   22   13 o  221.271   9.3100  169.863   14.258  166.773   16.003  181.756   31.399  219.171   10.549  226.958   20.200 -7.787415 22.78922 
1 1 1  -14   22   14 o  163.642   12.346   93.762   13.880   98.043   15.531   76.780   30.934  167.162   13.540  143.383   31.985 23.77888 34.73304 
1 1 1  -14   22   15 o   96.915   16.377   33.840   10.594   35.393   14.273   31.935   15.808   98.078   21.609   92.905   24.305 5.172684 32.52222 
1 1 1  -14   22   16 o  136.869   10.113   65.636   9.5116   64.881   11.111   67.707   18.403  135.745   11.948  136.655   20.054 -0.9100647 23.34307 
1 1 1  -14   22   17 o  159.410   9.0306   88.855   9.9225   90.063   11.380   85.024   20.264  160.243   10.316  153.041   19.580 7.202286 22.13158 
1 1 1  -14   22   18 o   38.410   17.510  -5.9670   10.290  -8.3135   12.065   0.2974   19.713   40.499   18.647   59.877   25.901 -19.37810 31.91531 
1 1 1  -14   22   19 o   69.836   19.997   18.334   10.158   18.334   10.158   0.0000   0.0000   69.836   19.997  ?   ?  0.000000 19.99698 
1 1 1  -14   24    1 o  1402.01   13.935  6811.50  135.223   0.0000   0.0000  6811.50  135.223  ?   ?   1402.01   13.935 0.000000 13.93544 
1 1 1  -14   24    2 o  602.367   6.2898  1255.99   26.222  1311.71   46.785  1230.47   31.663  615.414   10.984  596.177   7.6737 19.23749 13.39912 
1 1 1  -14   24    3 o  959.812   8.3514  3189.44   55.478  3217.07   96.043  3175.60   67.964  963.533   14.402  957.618   10.254 5.915222 17.67966 
1 1 1  -14   24    4 o  1095.93   8.0103  4158.01   60.759  4020.98  116.742  4208.91   71.155  1077.13   15.660  1102.55   9.3246 -25.41614 18.22568 
1 1 1  -14   24    5 o  395.517   6.0468  541.469   16.553  535.610   27.250  544.894   20.838  393.297   10.011  396.742   7.5886 -3.444580 12.56203 
1 1 1  -14   24    6 o  458.602   10.331  728.293   32.790   0.0000   0.0000  728.293   32.790  ?   ?   458.602   10.331 0.000000 10.33072 
1 1 1  -14   24    7 o  859.919   6.7486  2559.77   40.165  2511.69   55.590  2612.28   58.096  851.675   9.4307  868.550   9.6644 -16.87512 13.50330 
1 1 1  -14   24    9 o  468.762   6.4565  760.739   20.947  728.781   34.594  779.239   26.321  458.630   10.898  474.373   8.0169 -15.74280 13.52949 
1 1 1  -14   24   10 o  372.982   5.8431  481.622   15.084  491.397   20.984  471.172   21.698  376.675   8.0489  368.825   8.4999 7.850128 11.70612 
1 1 1  -14   24   11 o  387.063   5.8770  518.742   15.744  512.661   21.600  525.634   22.996  384.690   8.1127  389.506   8.5302 -4.815308 11.77203 
1 1 1  -14   24   12 o  119.409   14.236   50.265   11.533   23.088   16.853   74.206   15.817   81.940   26.255  145.143   16.012 -63.20358 30.75205 
1 1 1  -14   24   13 o  307.952   7.2120  328.742   15.371  325.268   23.856  331.208   20.100  305.944   11.266  308.920   9.4011 -2.975952 14.67334 
1 1 1  -14   24   14 o  192.578   8.6060  128.760   11.471  137.901   15.876  118.778   16.591  198.700   11.595  184.112   13.106 14.58771 17.49848 
1 1 1  -14   24   15 o   94.329   20.801   32.737   13.215   58.293   26.163   23.984   15.312  124.115   30.641   81.490   24.873 42.62506 39.46572 
1 1 1  -14   24   16 o   65.580   18.535   15.677   8.7862   10.987   10.322   28.015   16.741   58.607   20.567   87.036   25.884 -28.42899 33.06039 
1 1 1  -14   24   17 o  145.072   9.7088   73.799   9.6920   82.557   11.103   45.761   19.866  153.304   10.528  109.375   26.518 43.92918 28.53144 
1 1 1  -14   24   18 f   75.068   20.753   21.155   11.143   30.270   13.412   0.8439   20.021   89.322   21.871   60.571   26.152 28.75142 34.09211 
1 1 1  -14   24   19 f  147.191   10.096   76.481   10.223   69.172   11.583  102.244   21.745  139.331   12.132  166.331   19.245 -26.99991 22.74960 
1 1 1  -14   26    1 o  726.821   6.9879  1828.68   35.152   0.0000   0.0000  1828.68   35.152  ?   ?   726.821   6.9879 0.000000 6.987940 
1 1 1  -14   26    2 o  286.125   10.828  283.512   21.443  283.512   21.443   0.0000   0.0000  286.125   10.828  ?   ?  0.000000 10.82834 
1 1 1  -14   26    3 o  556.899   5.3973  1073.44   20.803  1000.98   39.403  1101.44   24.496  537.640   10.589  564.099   6.2742 -26.45911 12.30823 
1 1 1  -14   26    4 f  999.794   8.5949  3460.67   59.474  3346.83   99.496  3523.96   74.187  982.803   14.627  1008.78   10.626 -25.97498 18.07930 
1 1 1  -14   26    5 o  763.706   6.2095  2018.84   32.822  1976.58   45.381  2065.20   47.528  755.585   8.6778  772.328   8.8914 -16.74304 12.42422 
1 1 1  -14   26    6 o  1048.72   7.7742  3807.53   56.428  3628.87   75.593  4032.37   84.800  1023.64   10.670  1078.99   11.355 -55.35590 15.58168 
1 1 1  -14   26    7 o  393.457   5.3606  535.846   14.598  517.937   19.667  557.814   21.783  386.788   7.3468  401.390   7.8410 -14.60181 10.74504 
1 1 1  -14   26   10 o  367.974   8.6217  469.060   21.958   0.0000   0.0000  469.060   21.958  ?   ?   367.974   8.6217 0.000000 8.621710 
1 1 1  -14   26   11 o  123.788   12.403   53.707   10.483   49.369   13.895   59.438   15.973  117.837   17.574  129.394   18.350 -11.55691 25.40841 
1 1 1  -14   26   12 o  369.956   8.3616  474.515   21.410  455.951   27.178  504.878   34.758  362.420   10.835  381.087   13.178 -18.66705 17.06040 
1 1 1  -14   26   13 o  484.191   6.5942  812.593   22.098  872.195   37.417  780.671   27.384  500.963   10.792  474.358   8.3409 26.60571 13.63931 
1 1 1  -14   26   14 o   55.505   20.004   9.1798   9.8242   17.402   13.418  -0.3211   14.424   71.333   23.470   52.143   22.351 19.18966 32.41009 
1 1 1  -14   26   15 f   66.647   20.373   15.852   10.268  -2.5316   13.873   38.118   15.268   49.057   21.467  101.515   22.337 -52.45790 30.98055 
1 1 1  -14   26   16 o  151.720   11.316   80.901   11.797   66.213   14.918  105.415   19.273  136.025   16.163  171.978   16.390 -35.95314 23.01886 
1 1 1  -14   26   17 o   59.787   18.986   12.682   8.8282   9.8577   9.8432   24.298   19.961   56.016   20.041   82.913   28.628 -26.89761 34.94587 
1 1 1  -14   26   18 o  117.335   12.050   48.996   9.6466   51.534   10.698   37.961   22.311  120.075   13.085   98.245   30.032 21.83049 32.75852 
1 1 1  -14   26   19 f  108.755   16.630   43.609   12.120   49.049   14.927   33.083   20.764  114.211   19.589   91.109   29.137 23.10206 35.10959 
1 1 1  -14   28    1 o  763.580   7.1604  2018.32   37.842  1958.54   64.512  2049.68   46.725  751.956   12.396  769.429   8.7741 -17.47388 15.18671 
1 1 1  -14   28    2 o  530.000   7.7076  972.416   28.273   0.0000   0.0000  972.416   28.273  ?   ?   530.000   7.7076 0.000000 7.707601 
1 1 1  -14   28    3 o  1123.48   8.1922  4369.74   63.701  4152.68  120.366  4454.18   75.077  1094.62   15.888  1134.20   9.5639 -39.58740 18.54431 
1 1 1  -14   28    4 o  697.275   5.9230  1682.86   28.584  1593.73   38.709  1789.76   42.389  678.488   8.2431  718.995   8.5183 -40.50708 11.85371 
1 1 1  -14   28    5 o  1033.46   8.8068  3697.94   62.993  3663.55   76.441  3770.73  111.199  1028.52   10.738  1043.03   15.404 -14.51477 18.77736 
1 1 1  -14   28    6 o  516.195   7.4804  922.484   26.725  922.484   26.725   0.0000   0.0000  516.195   7.4804  ?   ?  0.000000 7.480368 
1 1 1  -14   28    8 o  569.898   6.5850  1124.44   25.974  1100.49   43.521  1137.70   32.370  563.556   11.158  573.177   8.1598 -9.621155 13.82328 
1 1 1  -14   28    9 o  173.855   8.9940  104.983   10.785  115.266   14.229   91.101   16.534  182.007   11.352  161.337   14.978 20.66951 18.79391 
1 1 1  -14   28   10 o  1002.37   7.6027  3480.16   52.744  3470.21   73.837  3490.52   75.370  1000.50   10.663  1003.39   10.853 -2.892273 15.21474 
1 1 1  -14   28   11 o  178.104   8.9781  110.243   11.032  113.916   14.654  105.439   16.758  180.782   11.776  173.618   14.067 7.163834 18.34590 
1 1 1  -14   28   12 o  430.862   5.7619  643.077   17.182  666.603   24.257  619.385   24.342  438.467   7.9932  422.619   8.3220 15.84857 11.53896 
1 1 1  -14   28   13 o  177.172   9.9848  109.412   12.194  124.341   18.804   98.578   16.018  188.195   14.550  167.549   13.940 20.64523 20.14958 
1 1 1  -14   28   14 o   68.835   22.516   16.286   12.356  -1.6493   25.649   21.706   14.099   68.034   29.488   77.854   23.886 -9.819389 37.94820 
1 1 1  -14   28   15 o  123.170   12.245   53.537   10.301   58.812   14.207   47.691   14.956  128.227   16.383  114.436   19.587 13.79058 25.53560 
1 1 1  -14   28   16 o  124.388   12.265   54.734   10.422   48.808   13.860   62.443   15.809  115.962   17.841  131.458   17.836 -15.49584 25.22752 
1 1 1  -14   28   17 o   60.469   20.277   12.600   10.003   12.600   10.003   0.0000   0.0000   60.469   20.277  ?   ?  0.000000 20.27688 
1 1 1  -14   28   18 o   48.654   18.960   5.7252   9.2027   6.2511   10.367   3.7707   19.986   51.219   20.079   62.397   26.517 -11.17826 33.26081 
1 1 1  -14   28   19 o   61.297   20.164   13.634   9.9039   11.374   11.465   20.278   19.659   59.100   21.562   76.040   28.153 -16.94075 35.46201 
1 1 1  -14   30    1 o  1031.69   8.8167  3685.13   62.956  3487.32  103.447  3801.49   79.340  1003.18   14.899  1047.72   10.941 -44.53986 18.48507 
1 1 1  -14   30    2 o  1606.22   12.822  8937.04  142.537  8692.68  239.144  9071.68  177.514  1582.59   21.833  1617.84   15.853 -35.25037 26.98170 
1 1 1  -14   30    3 o  481.669   10.335  803.415   34.455   0.0000   0.0000  803.415   34.455  ?   ?   481.669   10.335 0.000000 10.33544 
1 1 1  -14   30    4 o  1153.33   8.3482  4605.33   66.638  4385.35   89.598  4877.64   99.689  1125.21   11.505  1186.63   12.138 -61.41687 16.72434 
1 1 1  -14   30    5 o  458.221   5.2789  726.757   16.742  734.385   23.304  718.622   24.067  460.575   7.3105  455.597   7.6324 4.978027 10.56868 
1 1 1  -14   30    7 o  306.195   5.9717  324.562   12.655  317.614   16.996  333.209   18.960  302.854   8.1082  310.181   8.8317 -7.326935 11.98926 
1 1 1  -14   30    8 o  822.709   6.6582  2343.50   37.912  2294.45   52.183  2398.33   55.175  813.858   9.2640  832.047   9.5811 -18.18976 13.32744 
1 1 1  -14   30    9 o  380.432   5.7503  501.077   15.141  499.853   20.683  502.490   22.224  379.889   7.8665  380.865   8.4311 -0.9759827 11.53104 
1 1 1  -14   30   10 o  691.805   6.1326  1657.35   29.363  1651.90   40.654  1663.30   42.457  690.445   8.5074  692.785   8.8547 -2.340027 12.27934 
1 1 1  -14   30   11 o  336.801   7.0611  393.052   16.460  406.176   19.109  355.317   32.402  342.312   8.0656  319.552   14.650 22.75922 16.72383 
1 1 1  -14   30   12 o  257.711   6.7710  230.201   12.077  240.709   16.539  218.197   17.677  263.359   9.0736  250.648   10.190 12.71106 13.64427 
1 1 1  -14   30   13 o  361.441   7.6632  453.292   19.170  457.415   27.193  449.220   27.029  362.599   10.836  359.330   10.868 3.268677 15.34702 
1 1 1  -14   30   14 o  144.704   11.615   73.487   11.535   76.634   17.561   71.100   15.297  146.488   17.679  141.453   15.900 5.034485 23.77731 
1 1 1  -14   30   15 o   74.453   18.820   20.428   9.7031   23.666   13.104   16.497   14.438   80.080   22.637   70.403   24.345 9.676926 33.24326 
1 1 1  -14   30   16 o   96.094   16.176   33.549   10.376   39.014   13.494   25.643   16.232  102.799   19.682   83.237   25.644 19.56213 32.32655 
1 1 1  -14   30   17 o   38.979   17.185  -2.1430   9.0412   5.3387   10.067 -33.3610   20.563   49.740   19.694   43.741   21.281 5.999542 28.99593 
1 1 1  -14   30   18 o   51.213   19.186   7.5603   9.1830   0.7556   10.311   33.668   20.196   44.504   18.982   92.467   28.624 -47.96298 34.34625 
1 1 1  -14   32    1 o  1266.20   9.0300  5551.21   79.135  5414.63  153.934  5600.27   92.260  1249.56   17.799  1271.67   10.482 -22.10474 20.65647 
1 1 1  -14   32    2 o  548.629   5.5354  1041.83   21.019  939.512   38.988  1083.74   24.956  520.841   10.816  559.537   6.4441 -38.69543 12.58982 
1 1 1  -14   32    4 f  191.036   10.037  126.740   13.224  107.610   17.762  150.537   19.810  175.574   14.753  207.953   13.843 -32.37956 20.23095 
1 1 1  -14   32    5 o  267.584   11.166  248.049   20.680  248.049   20.680   0.0000   0.0000  267.584   11.166  ?   ?  0.000000 11.16645 
1 1 1  -14   32    6 o  728.939   6.1522  1839.46   31.038  1789.10   42.644  1896.19   45.262  718.766   8.5723  739.948   8.8381 -21.18127 12.31242 
1 1 1  -14   32    7 o  341.416   6.7703  403.588   15.998  386.146   27.216  412.797   19.775  333.782   11.781  345.245   8.2759 -11.46243 14.39740 
1 1 1  -14   32    8 o  629.617   5.8808  1372.46   25.627  1327.31   34.893  1425.33   37.760  619.044   8.1440  641.470   8.5051 -22.42584 11.77545 
1 1 1  -14   32    9 o  508.298   7.7403  894.982   27.230  894.982   27.230   0.0000   0.0000  508.298   7.7403  ?   ?  0.000000 7.740274 
1 1 1  -14   32   10 o  286.057   6.3837  283.430   12.639  299.268   16.910  263.384   19.024  293.849   8.3147  275.577   9.9743 18.27176 12.98537 
1 1 1  -14   32   11 o  119.171   12.434   49.905   10.104   67.168   13.664   29.077   15.009  138.134   14.509   89.345   23.833 48.78888 27.90181 
1 1 1  -14   32   12 o  288.859   7.2993  289.357   14.593  347.610   23.836  254.434   18.456  316.194   10.892  270.633   9.8533 45.56149 14.68754 
1 1 1  -14   32   13 o  306.586   9.2131  326.673   19.549   0.0000   0.0000  326.673   19.549  ?   ?   306.586   9.2131 0.000000 9.213078 
1 1 1  -14   32   14 o  204.044   8.9175  144.806   12.593  148.829   19.482  141.919   16.505  205.701   13.764  201.262   11.902 4.439163 18.19620 
1 1 1  -14   32   15 o   48.070   18.909   4.9464   9.2229   2.7271   12.412   7.6829   13.782   51.114   21.253   58.684   23.104 -7.569031 31.39313 
1 1 1  -14   32   16 o   77.361   21.162   22.338   11.658   21.783   12.620   25.571   30.449   76.586   22.393   90.622   34.708 -14.03608 41.30517 
1 1 1  -14   32   17 o   53.522   21.118   6.5622   11.537   14.996   13.846 -12.5951   20.868   66.980   23.790   53.245   24.519 13.73413 34.16320 
1 1 1  -14   32   18 o  130.281   11.324   60.337   10.109   56.056   11.497   74.927   21.225  124.834   13.523  140.281   22.631 -15.44794 26.36335 
1 1 1  -14   34    1 o  470.345   6.1383  765.780   19.982  753.659   34.620  771.836   24.470  466.470   10.723  472.168   7.4879 -5.697632 13.07873 
1 1 1  -14   34    2 o  1009.55   7.5367  3528.58   52.661  3400.05   71.760  3678.57   77.519  990.789   10.465  1030.54   10.868 -39.74884 15.08752 
1 1 1  -14   34    3 o  222.202   6.6147  170.924   10.173  167.711   13.699  174.873   15.189  220.070   8.9940  224.706   9.7662 -4.636581 13.27671 
1 1 1  -14   34    4 o  1079.86   9.1621  4038.43   68.477  3968.81   82.493  4192.68  122.798  1070.32   11.136  1099.42   16.138 -29.09656 19.60733 
1 1 1  -14   34    5 f  675.989   6.8919  1582.09   32.244  1593.66   55.769  1576.28   39.520  678.139   11.882  674.665   8.4634 3.474121 14.58820 
1 1 1  -14   34    6 o  334.313   8.2668  387.066   19.128   0.0000   0.0000  387.066   19.128  ?   ?   334.313   8.2668 0.000000 8.266792 
1 1 1  -14   34    7 o  564.645   5.6880  1103.77   22.229  1101.46   31.084  1106.19   31.801  563.941   7.9638  565.140   8.1303 -1.198853 11.38086 
1 1 1  -14   34    8 o  914.322   7.1353  2895.26   45.154  2766.10   60.742  3054.79   67.506  893.380   9.8237  938.761   10.390 -45.38086 14.29875 
1 1 1  -14   34    9 o   76.167   18.865   21.015   9.8930   19.007   13.013   23.767   15.229   73.938   22.991   82.047   24.753 -8.109322 33.78302 
1 1 1  -14   34   10 o  255.736   6.9007  226.613   12.214  229.337   16.012  222.824   18.889  257.154   8.9967  253.357   10.772 3.796631 14.03475 
1 1 1  -14   34   11 o  181.232   8.5178  113.953   10.684  114.146   14.288  113.708   16.091  180.838   11.476  180.275   12.984 0.5635834 17.32798 
1 1 1  -14   34   12 o  185.689   11.710  120.520   14.973  135.219   24.331  111.561   18.996  195.421   18.198  177.926   15.582 17.49576 23.95803 
1 1 1  -14   34   13 o  144.556   11.150   73.243   11.070   88.829   17.138   62.086   14.500  158.344   15.851  132.027   16.209 26.31662 22.67107 
1 1 1  -14   34   14 o  217.783   8.5689  164.975   12.916  165.512   20.273  164.609   16.757  216.895   13.573  216.866   11.202 0.2824402E-01 17.59899 
1 1 1  -14   34   15 o   55.549   19.422   9.9465   9.2009   9.9388   12.596   9.9554   13.472   59.693   22.449   60.821   23.137 -1.127384 32.23769 
1 1 1  -14   34   16 o  103.382   14.683   38.538   10.211   52.706   13.149   17.016   16.206  120.759   16.136   71.761   25.711 48.99717 30.35463 
1 1 1  -14   34   17 o  100.765   16.013   37.129   10.794   39.978   13.997   32.949   16.955  103.124   20.334   92.097   25.650 11.02759 32.73192 
1 1 1  -14   34   18 o   69.486   20.955   18.282   10.916   13.172   13.037   30.268   19.966   63.068   22.995   87.463   28.622 -24.39530 36.71559 
1 1 1  -14   36    1 o  560.727   6.4470  1088.45   25.020  1039.02   42.488  1114.69   30.956  547.642   11.210  567.393   7.8829 -19.75098 13.70387 
1 1 1  -14   36    2 o  521.085   5.4261  939.900   19.569  897.515   26.568  990.163   28.932  509.136   7.5397  534.759   7.8171 -25.62280 10.86065 
1 1 1  -14   36    3 o  582.127   11.336  1174.15   45.674   0.0000   0.0000  1174.15   45.674  ?   ?   582.127   11.336 0.000000 11.33640 
1 1 1  -14   36    4 o  376.595   5.5258  490.946   14.403  492.004   19.853  489.772   20.927  376.946   7.6097  376.077   8.0398 0.8690796 11.07008 
1 1 1  -14   36    5 o  269.507   6.3549  251.470   11.854  215.266   16.023  295.243   17.618  249.287   9.2866  291.963   8.7187 -42.67563 12.73799 
1 1 1  -14   36    6 o  181.501   9.9617  114.488   12.466   79.024   20.573  135.065   15.670  149.349   20.439  197.055   11.540 -47.70525 23.47180 
1 1 1  -14   36    7 o  215.432   8.6912  160.791   12.959  162.829   21.072  159.551   16.434  216.130   14.165  214.235   11.122 1.895172 18.00967 
1 1 1  -14   36    8 o  529.104   6.5571  969.571   24.012  967.805   40.198  970.550   29.941  528.237   10.995  529.253   8.1737 -1.016479 13.70043 
1 1 1  -14   36    9 o  163.070   10.855   92.693   12.181   82.439   13.820  128.390   25.785  153.465   13.138  190.702   19.826 -37.23633 23.78411 
1 1 1  -14   36   10 f  210.758   7.6381  154.002   11.142  155.352   14.893  152.286   16.790  211.528   10.173  209.001   11.654 2.526688 15.46906 
1 1 1  -14   36   11 o  371.976   5.7922  479.475   14.912  456.876   20.003  507.745   22.373  362.885   7.9644  382.492   8.4512 -19.60736 11.61269 
1 1 1  -14   36   12 o  212.649   10.545  157.365   15.520  157.365   15.520   0.0000   0.0000  212.649   10.545  ?   ?  0.000000 10.54501 
1 1 1  -14   36   13 o  361.087   6.6781  452.458   16.689  515.610   28.512  419.544   20.584  384.624   10.711  347.395   8.5612 37.22940 13.71184 
1 1 1  -14   36   14 o  282.201   7.2109  276.694   14.084  337.317   22.989  240.270   17.820  310.845   10.686  262.527   9.8072 48.31842 14.50391 
1 1 1  -14   36   15 o  115.875   17.560   48.797   13.641   55.951   15.580   25.298   28.236  123.851   18.764   89.188   33.598 34.66319 38.48244 
1 1 1  -14   36   16 o   61.101   20.289   13.044   10.019   8.5601   12.594   20.774   16.535   57.543   22.248   76.388   26.068 -18.84539 34.27119 
1 1 1  -14   36   17 o   70.267   23.293   17.987   13.207   32.361   23.941   11.699   15.834   91.514   31.366   64.513   24.945 27.00179 40.07637 
1 1 1  -14   38    1 o  207.888   7.2398  149.638   10.417  129.361   13.721  177.223   16.004  192.962   10.311  226.178   10.223 -33.21683 14.52047 
1 1 1  -14   38    2 o  677.330   6.0134  1588.24   28.190  1549.09   38.507  1633.45   41.382  668.812   8.3187  686.759   8.7062 -17.94659 12.04158 
1 1 1  -14   38    3 o  446.021   5.4448  688.656   16.808  646.380   22.702  739.947   25.005  432.047   7.5918  462.251   7.8159 -30.20483 10.89607 
1 1 1  -14   38    4 o  134.054   10.559   62.657   9.7170   55.020   13.019   72.263   14.601  124.980   15.374  143.545   14.914 -18.56483 21.41981 
1 1 1  -14   38    5 o  233.085   8.4424  188.186   13.619  184.537   23.704  189.984   16.640  230.097   14.966  234.143   10.268 -4.045273 18.14962 
1 1 1  -14   38    6 o  380.942   6.6713  502.526   17.589  509.756   30.160  498.800   21.652  383.424   11.365  379.459   8.2445 3.965637 14.04063 
1 1 1  -14   38    7 o  281.165   7.3229  273.840   14.250  267.512   23.160  277.695   18.077  277.663   12.052  283.055   9.2273 -5.391785 15.17856 
1 1 1  -14   38    8 o  172.547   10.166  103.635   12.087  127.854   18.566   85.819   15.924  191.253   14.126  156.375   14.893 34.87801 20.52703 
1 1 1  -14   38    9 o   70.741   21.477   17.657   11.438   10.644   17.235   23.178   15.291   67.435   26.039   81.018   24.879 -13.58236 36.01382 
1 1 1  -14   38   10 o  254.546   7.9100  224.750   13.935  215.073   21.308  231.982   18.421  248.584   12.385  258.399   10.300 -9.815002 16.10838 
1 1 1  -14   38   11 f   99.823   18.995   36.173   12.644   58.341   23.135   26.732   15.098  125.397   27.421   85.595   24.334 39.80204 36.66127 
1 1 1  -14   38   12 o  161.719   9.3604   91.255   10.432  107.593   14.724   74.788   14.782  175.169   12.222  145.361   14.904 29.80798 19.27421 
1 1 1  -14   38   13 o  166.680   9.8835   97.127   11.351  103.610   17.582   92.493   14.863  171.076   15.000  161.950   13.380 9.125443 20.10090 
1 1 1  -14   38   14 o  286.415   7.1449  285.114   14.163  352.049   23.117  244.887   17.921  317.465   10.521  264.944   9.7731 52.52075 14.35977 
1 1 1  -14   38   15 o   49.197   19.664   4.7632   10.125   9.2537   14.829   0.8418   13.858   61.433   24.033   51.482   21.984 9.950455 32.57081 
1 1 1  -14   38   16 o  123.090   12.607   54.009   10.589   69.475   13.845   32.218   16.434  139.126   14.596   91.340   25.183 47.78573 29.10741 
1 1 1  -14   38   17 o   91.717   16.750   31.237   10.241   38.696   13.455   20.964   15.791  101.089   19.939   75.228   25.475 25.86051 32.35057 
1 1 1  -14   40    1 o  387.724   6.2496  520.471   16.771  496.323   19.980  578.049   30.852  378.579   7.6255  408.410   10.915 -29.83160 13.31460 
1 1 1  -14   40    2 o  429.857   11.512  640.488   34.248   0.0000   0.0000  640.488   34.248  ?   ?   429.857   11.512 0.000000 11.51158 
1 1 1  -14   40    3 o   81.673   17.406   24.056   9.5383   18.593   12.664   31.219   14.500   73.217   22.667   92.835   22.746 -19.61827 32.11178 
1 1 1  -14   40    4 o  458.747   5.5259  728.591   17.545  702.746   24.157  757.443   25.524  450.443   7.7487  467.637   7.8860 -17.19400 11.05586 
1 1 1  -14   40    5 o  524.894   5.5873  953.912   20.298  946.575   28.285  961.703   29.146  522.746   7.8179  526.895   7.9923 -4.149170 11.18018 
1 1 1  -14   40    6 o  219.546   8.5095  167.030   12.930  164.631   15.647  172.195   22.962  217.891   10.376  222.091   15.026 -4.199509 18.26053 
1 1 1  -14   40    7 o  452.944   5.5640  710.474   17.442  693.560   24.073  729.168   25.308  447.367   7.7749  458.691   7.9718 -11.32376 11.13547 
1 1 1  -14   40    8 o   61.652   21.420   11.979   11.183   12.316   13.082   11.063   21.550   64.298   23.093   73.194   28.868 -8.895920 36.96786 
1 1 1  -14   40    9 o  152.176   11.559   80.978   12.083   72.049   17.715   88.745   16.522  142.291   18.421  158.773   15.222 -16.48256 23.89667 
1 1 1  -14   40   10 o  157.433   11.425   86.702   12.364  121.854   18.705   59.427   16.477  186.227   14.630  128.707   19.074 57.52003 24.03913 
1 1 1  -14   40   11 f  206.119   8.5273  147.586   12.165  144.976   18.469  149.587   16.167  203.332   13.195  206.905   11.333 -3.573563 17.39401 
1 1 1  -14   40   12 o   39.233   17.537  -3.9188   9.7471   3.0088   14.212 -10.0719   13.394   54.666   22.737   42.439   19.579 12.22725 30.00529 
1 1 1  -14   40   13 o  121.927   12.573   52.604   10.458   64.195   15.510   42.942   14.161  133.670   17.161  108.260   19.622 25.40916 26.06812 
1 1 1  -14   40   14 o   55.264   20.344   8.9819   10.239   35.571   15.027 -14.0650   13.990   97.233   22.735   40.916   19.248 56.31657 29.78932 
1 1 1  -14   40   15 o  122.214   13.191   53.281   10.981   39.454   15.131   68.665   15.960  102.236   22.034  137.638   17.124 -35.40147 27.90581 
1 1 1  -14   40   16 o  101.046   19.506   38.279   13.148   47.293   24.023   34.424   15.709  108.164   30.676   94.276   24.010 13.88814 38.95525 
1 1 1  -14   42    1 o  616.588   6.7443  1316.51   28.781  1328.17   35.012  1292.19   50.542  619.219   8.1696  610.438   11.963 8.780396 14.48624 
1 1 1  -14   42    2 o  291.997   7.0746  295.277   14.297  286.509   17.234  314.634   25.607  287.576   8.6588  301.189   12.284 -13.61374 15.02912 
1 1 1  -14   42    3 o  468.381   5.5081  759.549   17.856  742.939   24.702  777.723   25.840  463.124   7.7067  473.831   7.8793 -10.70740 11.02164 
1 1 1  -14   42    4 o  121.751   14.479   52.206   11.961   66.732   20.907   45.138   14.584  136.420   22.958  112.251   19.478 24.16955 30.10758 
1 1 1  -14   42    5 f  483.134   7.7940  808.760   26.062  808.760   26.062   0.0000   0.0000  483.134   7.7940  ?   ?  0.000000 7.794023 
1 1 1  -14   42    6 o   93.769   15.340   31.385   9.6112   40.787   12.884   19.587   14.432  106.703   18.092   75.625   24.303 31.07765 30.29788 
1 1 1  -14   42    7 o   95.929   15.590   32.879   9.9956   34.093   13.716   31.503   14.597   96.806   21.069   92.894   22.860 3.911552 31.08828 
1 1 1  -14   42    8 o  402.701   5.7146  561.836   15.927  557.322   21.988  566.820   23.103  400.869   7.9250  404.233   8.2578 -3.363678 11.44543 
1 1 1  -14   42    9 o   61.927   21.411   12.290   11.167   7.0341   16.404   16.829   15.245   62.375   24.995   72.180   25.013 -9.805649 35.36086 
1 1 1  -14   42   10 o  117.215   19.880   49.745   15.552   0.0000   0.0000   49.745   15.552  ?   ?   117.215   19.880 0.000000 19.88027 
1 1 1  -14   42   11 o  258.418   7.4598  231.864   13.342  223.415   20.058  238.570   17.868  253.097   11.451  261.803   9.8613 -8.706497 15.11162 
1 1 1  -14   42   12 o  221.795   7.9571  171.007   12.215  159.415   18.396  180.148   16.335  213.079   12.529  227.285   10.384 -14.20578 16.27325 
1 1 1  -14   42   13 o  107.101   19.199   42.076   13.708   44.624   16.021   35.112   26.485  109.566   21.893   97.839   32.994 11.72623 39.59674 
1 1 1  -14   42   14 o   90.697   17.706   30.314   10.716   35.522   15.097   25.026   15.212   96.912   22.875   81.845   24.750 15.06626 33.70201 
1 1 1  -14   42   15 f  136.525   12.477   66.267   11.660   72.098   16.873   60.938   16.130  140.635   17.729  128.787   18.639 11.84795 25.72375 
1 1 1  -14   42   16 o   97.748   17.963   35.647   11.704   21.912   17.888   45.928   15.477   77.490   27.082  109.947   21.106 -32.45729 34.33518 
1 1 1  -14   44    1 o  429.516   5.5786  638.779   16.584  662.108   23.379  615.155   23.527  437.176   7.7268  421.369   8.0673 15.80655 11.17067 
1 1 1  -14   44    2 o  427.004   5.5799  631.346   16.491  618.184   22.872  645.595   23.798  422.409   7.8233  431.664   7.9656 -9.254333 11.16488 
1 1 1  -14   44    3 o  219.427   8.3382  166.857   12.663  157.219   15.382  187.122   22.305  212.910   10.439  231.655   13.978 -18.74515 17.44533 
1 1 1  -14   44    4 o  349.218   5.7760  422.348   13.961  411.460   19.169  434.645   20.372  344.565   8.0382  354.121   8.3119 -9.556702 11.56292 
1 1 1  -14   44    5 o  143.570   10.215   71.883   10.084   61.496   13.516   84.929   15.146  132.076   15.054  155.610   14.220 -23.53448 20.70890 
1 1 1  -14   44    6 o  153.717   9.6599   82.322   10.225   92.842   13.948   70.101   15.033  162.941   12.463  140.952   15.675 21.98827 20.02582 
1 1 1  -14   44    7 o  513.974   6.4584  915.525   22.974  942.128   28.374  864.878   39.150  521.202   7.8656  498.789   11.341 22.41287 13.80131 
1 1 1  -14   44    8 o  139.583   10.401   68.095   9.9761   63.327   13.563   73.715   14.725  133.861   14.892  144.536   14.935 -10.67560 21.09097 
1 1 1  -14   44    9 o  119.587   13.911   50.609   11.299   45.695   13.970   59.902   19.212  112.560   18.581  128.263   22.461 -15.70296 29.15031 
1 1 1  -14   44   10 o  374.775   5.7987  486.995   15.041  470.108   20.079  508.585   22.704  367.920   7.8853  382.557   8.5749 -14.63647 11.64935 
1 1 1  -14   44   11 f  103.568   15.069   38.438   10.485   39.385   15.409   37.620   14.308  103.117   22.244  100.979   21.150 2.137672 30.69423 
1 1 1  -14   44   12 o  267.219   7.3755  248.186   13.641  233.463   20.745  259.401   18.105  258.344   11.602  272.780   9.5898 -14.43579 15.05226 
1 1 1  -14   44   13 o   50.673   19.921   5.7039   10.231  -0.1867   15.346   10.416   13.726   53.185   22.930   61.546   23.367 -8.360638 32.73876 
1 1 1  -14   44   14 o   56.314   20.465   9.7855   10.313   16.015   15.069   4.2968   14.145   69.465   24.802   55.102   22.782 14.36292 33.67745 
1 1 1  -14   44   15 o  125.124   18.231   57.668   15.324   0.0000   0.0000   57.668   15.324  ?   ?   125.124   18.231 0.000000 18.23130 
1 1 1  -14   44   16 o   58.286   21.934   10.327   12.028   23.059   19.405   2.3832   15.328   78.949   28.150   54.219   23.136 24.73008 36.43760 
1 1 1  -14   46    1 o  550.902   5.6642  1051.05   21.597  988.389   29.152  1127.28   32.152  534.037   7.8873  570.298   8.1458 -36.26093 11.33853 
1 1 1  -14   46    2 o  396.733   5.6412  545.110   15.490  513.388   21.123  582.015   22.783  384.868   7.9298  409.777   8.0332 -24.90863 11.28775 
1 1 1  -14   46    3 o  575.780   5.7460  1148.26   22.898  1144.05   32.253  1152.54   32.514  574.473   8.1119  576.597   8.1474 -2.124084 11.49706 
1 1 1  -14   46    4 o  369.996   6.4438  474.313   16.501  471.237   19.904  481.073   29.510  368.690   7.8000  372.138   11.457 -3.447235 13.86037 
1 1 1  -14   46    5 o  200.860   7.6662  139.884   10.657  133.451   14.553  147.323   15.650  195.710   10.786  205.628   11.037 -9.918625 15.43197 
1 1 1  -14   46    6 o  422.413   6.3784  618.405   18.648  615.144   22.361  625.854   33.793  421.157   7.6712  424.233   11.509 -3.076324 13.83141 
1 1 1  -14   46    7 o  316.072   5.9632  346.232   13.045  331.904   17.670  363.393   19.339  309.251   8.2558  323.546   8.6361 -14.29443 11.94737 
1 1 1  -14   46    8 o  147.249   10.072   75.749   10.203   75.551   13.653   75.999   15.356  146.486   13.623  146.585   15.365 -0.9899902E-01 20.53424 
1 1 1  -14   46    9 o  228.715   7.2228  181.554   11.433  178.953   15.630  184.549   16.768  226.773   9.9585  230.217   10.524 -3.443863 14.48875 
1 1 1  -14   46   10 o   50.714   19.003   6.9289   9.0096   13.706   11.659  -3.1162   14.195   64.205   21.890   49.135   21.603 15.06961 30.75444 
1 1 1  -14   46   11 o  250.868   6.7773  218.556   11.767  216.209   15.989  221.330   17.381  249.137   9.2730  251.943   9.9674 -2.805695 13.61389 
1 1 1  -14   46   12 o  188.898   9.8733  124.897   12.863  114.343   14.805  157.415   25.986  180.239   11.935  209.495   18.100 -29.25574 21.68066 
1 1 1  -14   46   13 o  145.140   11.457   74.359   11.416   94.146   17.833   60.620   14.859  161.979   16.121  129.369   17.007 32.60915 23.43377 
1 1 1  -14   46   14 o  114.523   18.474   48.376   14.145   0.0000   0.0000   48.376   14.145  ?   ?   114.523   18.474 0.000000 18.47448 
1 1 1  -14   46   15 o   34.704   16.627 -14.9347   11.425   11.488   18.430 -31.4255   14.560   66.757   26.579   33.865   16.756 32.89215 31.42036 
1 1 1  -14   48    1 o  437.377   5.5297  662.618   16.739  664.753   23.442  660.398   23.910  437.887   7.7351  436.431   7.9158 1.455292 11.06758 
1 1 1  -14   48    2 o  472.017   6.5488  772.055   21.394  741.463   36.751  787.738   26.313  461.923   11.495  476.632   7.9764 -14.70822 13.99153 
1 1 1  -14   48    3 o  448.225   5.5673  695.966   17.271  700.527   24.052  691.110   24.816  449.476   7.7315  446.409   8.0320 3.066650 11.14844 
1 1 1  -14   48    4 o  224.632   7.1175  174.936   11.066  183.254   14.995  164.992   16.397  229.752   9.4302  217.889   10.873 11.86264 14.39269 
1 1 1  -14   48    5 o  424.696   6.2960  625.147   18.506  611.294   22.212  656.585   33.463  419.809   7.6448  434.525   11.127 -14.71597 13.49998 
1 1 1  -14   48    6 o   74.240   18.164   20.110   9.2567   20.704   12.331   19.342   14.011   75.791   22.128   74.594   23.944 1.196609 32.60286 
1 1 1  -14   48    7 o  246.902   6.8907  211.453   11.775  197.279   15.929  228.529   17.484  238.214   9.6615  256.364   9.8540 -18.15025 13.80020 
1 1 1  -14   48    8 o  226.762   8.8119  178.722   13.830  186.927   23.490  174.370   17.109  230.542   14.800  223.706   11.050 6.836243 18.47038 
1 1 1  -14   48    9 o  237.582   8.4259  196.225   13.855  170.829   22.694  211.315   17.494  220.108   14.986  246.277   10.263 -26.16902 18.16362 
1 1 1  -14   48   10 o  273.014   6.5370  258.759   12.352  254.393   16.517  264.298   18.606  270.349   8.8273  275.385   9.7621 -5.035950 13.16125 
1 1 1  -14   48   11 o   88.041   16.534   28.294   9.7050   29.175   12.514   26.965   15.372   88.493   20.786   85.018   24.674 3.475060 32.26249 
1 1 1  -14   48   12 o   48.329   18.980   5.1970   9.2786  -1.7028   12.682   13.144   13.610   47.105   20.572   64.739   23.512 -17.63372 31.24147 
1 1 1  -14   48   13 f   56.085   19.777   10.237   9.5523   13.628   13.116   6.4077   13.939   64.601   23.132   56.914   22.958 7.687119 32.59016 
1 1 1  -14   48   14 o   40.143   18.100  -4.5610   10.634   15.663   17.738 -15.9081   13.286   70.654   26.627   38.131   18.176 32.52311 32.23892 
1 1 1  -14   50    1 o  134.827   11.368   63.655   10.509   44.576   16.290   77.257   13.754  110.622   22.050  148.301   13.550 -37.67857 25.88107 
1 1 1  -14   50    2 o  266.785   6.2738  246.677   11.584  244.850   15.929  248.729   16.878  265.613   8.6650  267.668   9.1104 -2.054810 12.57300 
1 1 1  -14   50    3 o  169.949   8.4074  100.235   9.8891  104.561   13.616   95.407   14.386  172.996   11.437  165.026   12.692 7.969284 17.08513 
1 1 1  -14   50    4 o  150.134   9.5764   78.625   9.8990   77.871   13.448   79.517   14.625  148.879   13.187  150.275   14.231 -1.395493 19.40162 
1 1 1  -14   50    5 o  313.750   6.8052  341.394   14.778  345.465   17.473  331.171   27.693  315.483   8.0024  308.135   12.985 7.348663 15.25307 
1 1 1  -14   50    6 o  412.703   6.3009  590.628   17.998  580.361   21.641  613.659   32.413  408.903   7.6467  419.756   11.157 -10.85284 13.52577 
1 1 1  -14   50    7 o  157.213   9.3980   86.268   10.179   80.879   13.334   93.794   15.758  151.635   12.826  163.114   14.097 -11.47896 19.05829 
1 1 1  -14   50    8 o  272.469   6.3606  257.583   11.995  257.940   16.091  257.137   17.995  272.372   8.5358  271.784   9.5663 0.5880432 12.82080 
1 1 1  -14   50    9 o  258.668   7.6691  232.548   13.730  233.180   16.187  230.927   25.922  258.803   9.0367  255.891   14.698 2.911636 17.25416 
1 1 1  -14   50   10 o   42.586   18.104   0.4536   9.3215  -1.0079   12.551   2.2512   13.920   47.655   20.641   53.158   22.335 -5.502995 30.41193 
1 1 1  -14   50   11 o   47.865   18.852   4.9644   9.1784   7.5659   11.856   1.0724   14.501   55.548   21.555   52.856   22.527 2.691849 31.17860 
1 1 1  -14   50   12 o  153.484   9.6327   82.691   10.181   88.195   13.840   76.201   15.029  157.698   12.790  145.798   15.114 11.90080 19.79927 
1 1 1  -14   50   13 o   31.290   15.245 -18.4134   10.655 -36.6878   18.010  -8.5750   13.215   38.300   18.893   42.492   19.547 -4.191795 27.18471 
1 1 1  -14   50   14 o   77.772   18.781   22.948   9.9950   14.279   13.821   32.453   14.472   65.319   23.698   91.324   22.929 -26.00517 32.97497 
1 1 1  -14   52    1 o  272.697   7.2769  257.956   13.734  275.707   24.705  250.016   16.523  281.240   12.692  268.309   8.8976 12.93100 15.50009 
1 1 1  -14   52    2 o  142.925   10.936   71.492   10.736   69.512   16.169   73.052   14.358  139.795   17.066  143.862   14.623 -4.067581 22.47421 
1 1 1  -14   52    3 o  228.118   6.8632  180.490   10.836  187.009   14.883  173.135   15.807  231.984   9.2693  223.112   10.237 8.872162 13.80973 
1 1 1  -14   52    4 o  190.516   7.8376  126.002   10.335  126.096   13.777  125.880   15.628  190.064   10.514  189.660   11.967 0.4038391 15.92961 
1 1 1  -14   52    5 o  232.334   6.9135  187.291   11.117  179.474   14.984  196.862   16.580  227.164   9.5306  237.844   10.072 -10.68068 13.86638 
1 1 1  -14   52    6 o  186.251   9.2779  120.668   11.960  120.000   18.055  121.191   15.965  184.560   14.245  185.859   12.483 -1.298416 18.94075 
1 1 1  -14   52    7 o   84.022   22.563   26.126   13.398   45.371   18.810   6.3073   19.089  110.135   25.220   64.868   26.604 45.26679 36.65799 
1 1 1  -14   52    8 o  102.068   13.874   37.209   9.5469   36.202   12.509   38.613   14.775   99.437   18.865  102.082   21.588 -2.644470 28.66932 
1 1 1  -14   52    9 f  196.724   7.8587  134.622   10.700  132.910   14.313  136.790   16.110  194.764   10.659  197.310   11.852 -2.546234 15.93962 
1 1 1  -14   52   10 o   51.901   20.461   5.9055   10.823  -3.6697   12.621   32.512   21.038   45.352   20.134   92.962   29.287 -47.61003 35.53983 
1 1 1  -14   52   11 o  268.095   6.6415  249.934   12.323  265.666   16.739  231.314   18.210  275.910   8.7654  257.064   10.235 18.84647 13.47568 
1 1 1  -14   52   12 o   86.256   17.543   27.630   10.117   31.392   13.879   23.365   14.777   90.718   22.269   78.861   24.497 11.85675 33.10601 
1 1 1  -14   52   13 o   49.740   19.650   5.6930  10.0000   1.7463   13.872   9.9629   14.429   51.718   22.037   60.908   23.740 -9.190453 32.39161 
1 1 1  -14   54    1 o  500.161   5.5418  867.126   19.184  882.263   26.977  851.640   27.286  504.115   7.7320  495.241   7.9606 8.873444 11.09754 
1 1 1  -14   54    2 o  255.069   6.4519  225.660   11.390  215.221   15.431  238.154   16.882  248.836   8.9601  261.711   9.3201 -12.87517 12.92859 
1 1 1  -14   54    3 o  112.850   13.705   45.174   10.485   51.854   16.049   40.202   13.848  119.517   20.117  104.998   19.781 14.51889 28.21314 
1 1 1  -14   54    4 o   47.486   18.646   4.7642   8.9535   20.582   12.047 -14.7510   13.382   75.223   21.847   39.552   18.673 35.67108 28.73916 
1 1 1  -14   54    5 o  327.081   5.8941  371.048   13.343  374.596   18.364  367.081   19.419  328.318   8.0818  324.912   8.6355 3.406311 11.82738 
1 1 1  -14   54    6 o  218.208   10.315  166.003   15.578  160.976   22.091  170.976   21.972  213.487   15.047  220.205   14.498 -6.717728 20.89490 
1 1 1  -14   54    7 o  182.494   8.8949  115.953   11.235  106.645   13.213  140.244   21.345  174.400   11.003  198.869   15.634 -24.46887 19.11773 
1 1 1  -14   54    8 o  108.697   14.026   42.224   10.306   47.194   12.176   29.668   19.352  114.565   15.774   89.488   28.072 25.07653 32.20024 
1 1 1  -14   54    9 o  125.698   11.170   55.751   9.6166   53.914   12.646   58.271   14.808  122.584   15.234  126.885   17.314 -4.301117 23.06203 
1 1 1  -14   54   10 o  165.660   9.0069   96.082   10.288   83.150   13.520  113.873   15.858  153.125   12.876  179.361   12.860 -26.23596 18.19815 
1 1 1  -14   54   11 o  159.692   9.8225   89.630   10.804   85.461   14.866   94.296   15.728  154.680   14.039  162.505   14.124 -7.825043 19.91447 
1 1 1  -14   54   12 o  217.138   7.7442  164.588   11.638  153.395   16.162  176.645   16.773  208.338   11.250  224.029   10.818 -15.69060 15.60731 
1 1 1  -14   56    1 o  222.016   6.9398  171.094   10.664  165.577   14.511  177.572   15.724  218.104   9.6130  225.803   10.061 -7.699875 13.91528 
1 1 1  -14   56    2 o  167.649   8.6440   97.988   9.9958   98.639   13.478   97.194   14.901  167.697   11.686  166.181   13.061 1.515778 17.52528 
1 1 1  -14   56    3 o  188.401   8.9347  123.487   11.650  119.830   13.629  133.415   22.453  185.078   10.685  193.812   16.908 -8.734543 20.00092 
1 1 1  -14   56    4 o  196.047   8.5698  133.692   11.628  136.098   18.312  132.067   15.052  196.602   13.541  194.176   11.248 2.426056 17.60312 
1 1 1  -14   56    5 o  123.130   11.311   53.401   9.5318   52.258   12.790   54.830   14.295  120.829   15.663  123.406   17.205 -2.576736 23.26630 
1 1 1  -14   56    6 o   45.830   18.347   3.8570   8.8290   3.1992   11.818   4.6878   13.282   50.553   20.856   54.624   22.272 -4.070530 30.51247 
1 1 1  -14   56    7 o  118.531   11.381   49.613   9.2220   46.977   12.037   53.360   14.349  114.294   15.626  121.369   17.596 -7.075325 23.53236 
1 1 1  -14   56    8 o  237.306   7.5037  195.952   12.324  197.375   14.667  192.537   22.730  237.899   8.9080  233.197   14.150 4.701157 16.72071 
1 1 1  -14   56    9 o  137.776   12.004   67.202   11.333   64.085   12.878   77.902   23.860  133.946   14.103  143.586   24.913 -9.639999 28.62755 
1 1 1  -14   56   10 o   48.559   19.110   5.3201   9.4246   0.2843   12.590   11.738   14.213   48.514   20.842   63.227   23.833 -14.71226 31.66068 
1 1 1  -14   56   11 o  126.220   13.621   57.188   11.710   83.268   19.099   41.477   14.824  150.415   18.754  104.561   21.209 45.85387 28.31125 
1 1 1  -14   58    1 o  403.973   5.5636  566.036   15.556  558.791   21.340  574.250   22.723  400.963   7.6899  406.380   8.0789 -5.416412 11.15360 
1 1 1  -14   58    2 o   80.178   16.839   23.535   9.0472   37.754   12.082   5.3861   13.650  101.864   17.785   56.028   22.677 45.83585 28.81888 
1 1 1  -14   58    3 o  173.155   8.1814  104.298   9.8049   97.825   13.249  112.135   14.578  166.882   11.542  178.654   11.858 -11.77173 16.54733 
1 1 1  -14   58    4 o   61.220   20.348   12.835   10.076   13.044   15.311   12.675   13.383   66.741   24.819   64.227   23.317 2.514099 34.05334 
1 1 1  -14   58    5 o   61.804   22.795   11.325   12.863   0.0000   0.0000   11.325   12.863  ?   ?    61.804   22.795 0.000000 22.79495 
1 1 1  -14   58    6 o   52.299   18.989   8.2322   8.8765  -3.8279   12.059   22.494   13.114   44.118   19.629   77.895   22.842 -33.77733 30.11687 
1 1 1  -14   58    7 o  166.026   8.4695   96.329   9.6999   90.466   12.580  104.923   15.232  160.238   11.418  172.226   12.872 -11.98814 17.20648 
1 1 1  -14   58    8 o  238.207   7.6955  197.660   12.687  208.798   14.867  167.805   24.339  244.585   8.7824  216.431   16.370 28.15358 18.57666 
1 1 1  -14   58    9 o  110.644   14.529   44.155   10.857   44.239   12.906   43.951   20.085  109.763   17.582  105.953   27.238 3.810127 32.41985 
1 1 1  -14   58   10 o   84.708   17.097   26.693   9.6783   34.116   13.482   18.800   13.902   94.672   21.113   71.816   23.903 22.85594 31.89168 
1 1 1  -14   60    1 o   81.112   17.626   24.232   9.6122   31.978   11.508   6.3610   17.480   93.247   18.485   62.343   25.500 30.90316 31.49545 
1 1 1  -14   60    2 o  101.207   15.342   36.938   10.409   40.970   12.086   25.351   20.488  106.246   17.009   84.810   29.017 21.43522 33.63442 
1 1 1  -14   60    3 o  244.594   6.6074  207.849   11.185  196.587   14.877  222.493   16.964  237.465   9.0521  252.489   9.7077 -15.02321 13.27332 
1 1 1  -14   60    4 o   49.191   19.496   5.0234   9.8741   19.420   12.149 -23.0000   16.949   72.839   22.138   41.986   20.152 30.85286 29.93652 
1 1 1  -14   60    5 o  123.469   11.115   53.822   9.3964   60.353   12.662   45.817   14.018  130.000   14.310  111.742   18.793 18.25836 23.62115 
1 1 1  -14   60    6 o  115.884   13.559   47.991   10.669   64.829   17.091   37.238   13.657  133.104   19.099   99.880   20.444 33.22446 27.97789 
1 1 1  -14   60    7 o  155.758   9.2023   85.068   9.8763   99.350   13.431   68.254   14.573  167.738   11.641  137.714   15.563 30.02348 19.43493 
1 1 1  -14   60    8 o   65.300   19.433   15.745   9.4342   14.336   12.477   17.625   14.416   64.866   22.620   70.784   24.336 -5.917831 33.22536 
1 1 1  -14   60    9 o  131.063   10.667   60.801   9.5922   54.948   13.489   66.789   13.643  122.733   16.281  136.089   14.720 -13.35587 21.94881 
1 1 1  -14   62    1 o   54.107   20.260   8.2262   10.237   14.592   11.619 -13.8634   21.644   64.998   21.854   54.144   24.947 10.85358 33.16534 
1 1 1  -14   62    2 o  148.928   10.227   77.921   10.478   89.208   12.593   52.537   18.887  159.091   11.515  117.976   23.948 41.11489 26.57306 
1 1 1  -14   62    3 o  129.834   10.602   59.397   9.4442   42.273   12.251   84.475   14.826  107.722   16.996  154.058   14.060 -46.33552 22.05774 
1 1 1  -14   62    4 o   45.313   18.294   3.5857   8.8592   5.2366   12.121   1.6925   12.980   53.025   21.402   50.715   21.452 2.309807 30.30175 
1 1 1  -14   62    5 o  229.034   6.9323  182.532   10.989  188.471   15.322  176.241   15.769  232.161   9.5354  224.346   10.156 7.814667 13.93068 
1 1 1  -14   62    6 o  166.449   8.8667   97.072   10.178   98.330   14.266   95.768   14.525  166.536   12.467  164.208   12.884 2.328873 17.92832 
1 1 1  -14   62    7 f  183.401   9.4325  118.095   11.932  130.216   14.415   91.707   21.269  192.158   10.883  157.572   19.949 34.58629 22.72496 
1 1 1  -14   62    8 o   56.932   19.600   11.088   9.3529   5.5509   12.742   17.556   13.772   53.801   21.862   69.863   23.791 -16.06207 32.31012 
1 1 1  -14   64    1 o   94.883   14.833   32.643   9.4221   25.105   12.478   42.642   14.372   81.536   21.721  106.995   20.146 -25.45851 29.62577 
1 1 1  -14   64    2 f  164.098   10.507   94.761   11.871  104.927   18.574   87.741   15.434  170.954   15.879  156.731   14.389 14.22272 21.42877 
1 1 1  -14   64    3 o   91.645   18.331   31.203   11.221   22.098   18.160   36.827   14.272   78.794   27.301   98.729   21.495 -19.93549 34.74720 
1 1 1  -14   64    4 o  199.602   7.5505  138.864   10.431  163.695   14.591  112.911   14.917  216.199   9.7511  178.588   12.141 37.61055 15.57168 
1 1 1  -14   64    6 o  164.020   10.194   94.849   11.515   96.888   13.744   90.049   21.091  165.161   12.108  155.792   20.024 9.368469 23.40030 
1 1 1  -14   66    1 o  185.575   8.7315  120.403   11.215  127.067   15.025  112.020   16.852  189.603   11.504  177.137   13.856 12.46634 18.00911 
1 1 1  -14   66    2 o  125.576   13.268   56.464   11.357   67.740   13.819   33.010   19.931  137.137   14.794   91.896   28.434 45.24104 32.05203 
1 1 1  -14   66    3 o   44.701   18.462   2.6858   9.2748  -6.5758   12.438   14.285   13.920   42.297   19.270   65.766   23.794 -23.46931 30.61870 
1 1 1  -14   66    4 o   58.034   19.508   11.789   9.2588   13.415   12.661   9.9193   13.574   63.401   22.724   59.901   23.115 3.499775 32.41422 
1 1 1  -13    1    1 o  576.957   5.1157  1152.09   20.428  1183.29   29.440  1123.13   28.369  584.678   7.2752  569.623   7.1957 15.05469 10.23267 
1 1 1  -13    1    2 o  228.344   5.0317  180.462   7.9520  178.165   11.102  182.882   11.396  226.871   7.0704  229.854   7.1632 -2.983078 10.06490 
1 1 1  -13    1    3 o  672.254   5.6252  1564.27   26.173  1555.73   36.879  1572.94   37.149  670.339   7.9490  674.037   7.9632 -3.698242 11.25162 
1 1 1  -13    1    5 o  366.542   6.9047  465.195   17.516  454.244   24.557  476.537   24.992  362.100   9.7988  370.882   9.7362 -8.781525 13.81347 
1 1 1  -13    1    6 o  332.661   5.2829  383.068   12.163  394.860   17.307  371.560   17.097  337.695   7.4050  327.577   7.5412 10.11813 10.56903 
1 1 1  -13    1    7 o  764.802   6.2615  2024.79   33.144  2019.91   46.855  2029.68   46.890  763.760   8.8639  765.605   8.8491 -1.845459 12.52497 
1 1 1  -13    1    8 o  809.455   6.5864  2268.06   36.899  2314.87   53.010  2224.06   51.395  817.648   9.3673  801.456   9.2653 16.19208 13.17542 
1 1 1  -13    1    9 o  1458.88   11.790  7371.05  119.042   0.0000   0.0000  7371.05  119.042  ?   ?   1458.88   11.790 0.000000 11.78973 
1 1 1  -13    1   11 o  464.948   5.4523  748.260   17.545  729.486   24.490  768.058   25.149  459.028   7.7086  471.007   7.7146 -11.97910 10.90582 
1 1 1  -13    1   12 o  480.980   5.6394  800.822   18.773  819.492   26.753  782.710   26.350  486.481   7.9457  475.436   8.0077 11.04495 11.28080 
1 1 1  -13    1   13 o  809.950   9.7954  2272.97   54.911  2328.29   79.478  2222.44   75.953  819.225   14.017  800.429   13.710 18.79602 19.60761 
1 1 1  -13    1   14 o  285.398   6.9021  282.119   13.634  271.677   19.157  292.834   19.407  279.938   9.8878  290.647   9.6474 -10.70877 13.81453 
1 1 1  -13    1   15 o  244.047   7.5584  206.445   12.767  210.490   18.035  202.383   18.075  246.233   10.583  241.427   10.817 4.805893 15.13274 
1 1 1  -13    1   16 o   61.035   20.948   12.041   10.679   15.341   15.833   9.2867   14.465   70.890   25.411   62.086   23.888 8.803997 34.87659 
1 1 1  -13    1   17 o  235.582   7.5897  192.673   12.375  182.572   17.279  203.309   17.731  228.934   10.905  241.630   10.603 -12.69551 15.20983 
1 1 1  -13    1   18 o   79.267   19.483   23.211   10.613   45.316   15.058   1.3899   14.961  111.163   20.320   54.243   22.992 56.91948 30.68430 
1 1 1  -13    1   19 o  156.084   13.576   86.409   14.520   81.045   16.202  108.293   32.727  150.479   15.792  168.312   29.149 -17.83266 33.15252 
1 1 1  -13    1   20 o   59.551   23.114   9.2090   13.635   6.2146   31.567   9.8958   15.118   76.891   33.015   62.136   24.277 14.75476 40.98050 
1 1 1  -13    1   21 o  161.803   15.415   94.906   17.054   0.0000   0.0000   94.906   17.054  ?   ?   161.803   15.415 0.000000 15.41534 
1 1 1  -13    3    1 o  420.137   4.6286  610.907   13.459  611.962   19.031  609.851   19.037  420.478   6.5395  419.751   6.5530 0.7262878 9.257800 
1 1 1  -13    3    2 o  1117.74   8.0248  4325.03   62.080  4335.34   87.977  4314.80   87.614  1118.86   11.361  1116.21   11.341 2.652466 16.05259 
1 1 1  -13    3    3 o  1304.30   9.1563  5890.81   82.656  5841.44  115.900  5941.91  117.913  1298.43   12.897  1309.53   13.010 -11.10388 18.31897 
1 1 1  -13    3    4 o  302.028   5.6480  315.777   11.806  310.878   19.707  318.520   14.746  299.589   9.5042  303.311   7.0242 -3.721527 11.81813 
1 1 1  -13    3    5 o  692.330   6.7217  1659.59   32.208  1667.41   39.635  1644.39   55.267  693.866   8.2533  688.793   11.593 5.073059 14.23076 
1 1 1  -13    3    6 o  159.870   7.8117   88.501   8.6435   84.327   12.086   92.871   12.366  155.592   11.301  163.350   11.002 -7.757919 15.77171 
1 1 1  -13    3    7 o  390.475   6.1583  527.792   16.643  546.341   30.133  519.650   19.964  397.150   10.963  387.425   7.4454 9.724640 13.25199 
1 1 1  -13    3    8 o  550.366   6.4540  1048.49   24.584  1084.69   30.548  981.951   41.417  559.749   7.8852  532.470   11.239 27.27844 13.72887 
1 1 1  -13    3    9 f  1588.39   12.723  8738.91  139.871  8400.00  231.794  8932.99  175.404  1555.97   21.524  1605.54   15.785 -49.57031 26.69176 
1 1 1  -13    3   10 o  108.071   12.677   41.010   9.3017   45.083   20.309   39.929   10.464  111.679   26.646  106.359   14.600 5.319412 30.38387 
1 1 1  -13    3   11 o  564.464   5.6336  1102.87   22.009  1080.40   30.398  1127.62   31.908  558.621   7.8623  570.693   8.0782 -12.07159 11.27268 
1 1 1  -13    3   12 o  949.288   15.029  3125.37   98.743   0.0000   0.0000  3125.37   98.743  ?   ?   949.288   15.029 0.000000 15.02910 
1 1 1  -13    3   13 o  492.154   5.7744  838.560   19.669  854.204   27.822  822.929   27.811  496.621   8.0943  487.437   8.2436 9.183838 11.55311 
1 1 1  -13    3   14 o  675.208   7.4278  1579.32   34.712  1483.90   59.186  1629.34   42.856  653.787   13.080  685.649   9.0309 -31.86188 15.89477 
1 1 1  -13    3   15 f  297.085   11.435  306.585   23.513   0.0000   0.0000  306.585   23.513  ?   ?   297.085   11.435 0.000000 11.43535 
1 1 1  -13    3   16 o  123.585   12.600   53.742   10.627   41.558   14.861   66.489   15.201  106.877   20.840  136.915   16.366 -30.03857 26.49775 
1 1 1  -13    3   17 o  260.715   7.7669  236.018   14.015  226.049   21.278  243.656   18.626  254.543   12.078  264.582   10.171 -10.03946 15.79038 
1 1 1  -13    3   18 o   67.988   20.520   16.672   10.464   3.4419   14.427   31.357   15.199   55.294   22.946   91.604   23.769 -36.31027 33.03782 
1 1 1  -13    3   19 o   64.584   21.313   14.564   11.062   9.2655   15.027   20.831   16.343   61.826   24.191   76.849   25.918 -15.02290 35.45332 
1 1 1  -13    3   20 o   57.654   21.032   10.309   10.907   18.552   15.990   3.1366   14.916   73.093   25.601   55.020   23.119 18.07309 34.49498 
1 1 1  -13    5    1 o  668.822   5.5583  1548.24   25.729  1470.14   34.901  1641.22   38.080  651.685   7.7378  688.552   7.9907 -36.86743 11.12321 
1 1 1  -13    5    2 o  1473.38   10.189  7517.21  103.904  7391.90  144.347  7651.96  149.682  1460.60   14.279  1486.03   14.553 -25.43457 20.38857 
1 1 1  -13    5    3 o  518.315   5.0075  929.865   17.964  915.509   25.162  944.789   25.654  514.247   7.0695  522.405   7.0953 -8.157654 10.01610 
1 1 1  -13    5    4 o  493.161   5.7373  841.925   19.583  843.903   33.386  840.889   24.179  493.580   9.7732  492.813   7.0889 0.7663269 12.07341 
1 1 1  -13    5    5 o   63.681   18.208   14.416   8.4282   8.7841   10.180   26.688   15.027   55.808   20.325   86.331   24.184 -30.52280 31.59070 
1 1 1  -13    5    6 f  161.908   9.2156   91.086   10.284   88.613   12.652   95.902   17.657  159.501   11.538  165.546   15.595 -6.044327 19.39916 
1 1 1  -13    5    7 o  333.053   5.5533  383.951   12.801  404.118   18.390  364.992   17.830  341.649   7.7771  324.686   7.9342 16.96298 11.11018 
1 1 1  -13    5    8 o  1106.44   16.120  4243.42  123.442  4243.42  123.442   0.0000   0.0000  1106.44   16.120  ?   ?  0.000000 16.11978 
1 1 1  -13    5    9 o  571.172   5.6507  1129.17   22.338  1125.85   44.035  1130.32   25.921  570.185   11.158  571.445   6.5539 -1.259766 12.94077 
1 1 1  -13    5   10 o  1055.83   9.1181  3859.68   66.631   0.0000   0.0000  3859.68   66.631  ?   ?   1055.83   9.1181 0.000000 9.118115 
1 1 1  -13    5   11 f  351.983   8.1137  428.952   19.766   0.0000   0.0000  428.952   19.766  ?   ?   351.983   8.1137 0.000000 8.113719 
1 1 1  -13    5   12 o  635.275   6.9696  1397.27   30.644  1387.65   36.556  1420.00   56.201  633.018   8.3439  640.065   12.687 -7.046509 15.18451 
1 1 1  -13    5   13 o  1015.47   10.887  3574.01   76.514  3574.01   76.514   0.0000   0.0000  1015.47   10.887  ?   ?  0.000000 10.88671 
1 1 1  -13    5   14 o  226.829   9.7142  178.372   15.250  183.658   28.917  176.334   17.950  228.907   18.408  225.151   11.558 3.756042 21.73520 
1 1 1  -13    5   15 o  240.388   7.4815  200.305   12.447  202.172   17.498  198.393   17.710  241.314   10.477  239.031   10.705 2.282745 14.97893 
1 1 1  -13    5   16 o   35.447   16.558  -9.6355   10.046 -16.9853   13.806  -1.3651   14.646   39.325   18.683   51.719   22.349 -12.39412 29.12982 
1 1 1  -13    5   17 o  228.465   8.3453  181.341   13.196  177.707   19.895  184.196   17.633  225.209   12.817  229.912   11.081 -4.702591 16.94290 
1 1 1  -13    5   18 o  186.898   11.352  122.480   14.615  118.404   16.294  139.268   33.063  183.395   12.919  194.698   25.122 -11.30330 28.24930 
1 1 1  -13    5   19 o  250.345   9.7048  218.872   16.815  229.219   35.733  215.929   19.057  251.418   20.720  248.312   11.089 3.106125 23.50036 
1 1 1  -13    5   20 o  179.608   9.5111  113.208   11.781  149.940   16.786   77.548   16.539  206.033   11.821  146.339   16.624 59.69394 20.39869 
1 1 1  -13    5   21 o  102.043   19.960   39.539   13.592   34.522   26.172   41.392   15.905   93.097   32.745  103.194   22.870 -10.09703 39.94126 
1 1 1  -13    7    1 o  590.672   5.2201  1207.57   21.340  1170.81   29.531  1247.74   30.873  581.566   7.3367  600.368   7.4300 -18.80139 10.44181 
1 1 1  -13    7    2 f  703.231   5.7577  1711.77   28.024  1621.62   37.930  1820.12   41.584  684.388   8.0077  725.055   8.2867 -40.66724 11.52352 
1 1 1  -13    7    3 o  462.576   4.9084  740.637   15.714  719.352   22.188  762.060   22.260  455.829   7.0328  469.171   6.8550 -13.34140 9.820993 
1 1 1  -13    7    4 o  421.985   4.9029  616.391   14.320  589.575   19.832  645.601   20.698  412.650   6.9438  431.812   6.9256 -19.16245 9.807157 
1 1 1  -13    7    5 o  276.312   5.4502  264.298   10.423  269.517   14.685  258.999   14.796  278.982   7.6052  273.479   7.8172 5.503052 10.90637 
1 1 1  -13    7    6 o  660.241   8.2633  1509.48   37.760  1526.34   54.267  1493.66   52.574  663.698   11.814  656.572   11.570 7.126770 16.53539 
1 1 1  -13    7    7 o  285.601   11.267  282.537   22.272  282.537   22.272   0.0000   0.0000  285.601   11.267  ?   ?  0.000000 11.26720 
1 1 1  -13    7    8 o  975.531   8.5178  3294.75   57.510  3227.80   96.831  3331.24   71.484  965.159   14.496  980.802   10.531 -15.64203 17.91695 
1 1 1  -13    7    9 o  1158.56   8.4228  4646.81   67.538  4594.15  132.962  4665.12   78.407  1151.31   16.686  1160.76   9.7597 -9.451904 19.33084 
1 1 1  -13    7   11 o  1131.40   9.6878  4433.04   75.862  4505.85  132.508  4397.54   92.525  1139.82   16.797  1126.66   11.866 13.16040 20.56527 
1 1 1  -13    7   12 o  806.209   6.6229  2250.27   36.955  2266.70   52.039  2233.57   52.489  808.970   9.2943  803.025   9.4442 5.945190 13.25052 
1 1 1  -13    7   13 o  507.582   8.0263  892.349   28.197  892.349   28.197   0.0000   0.0000  507.582   8.0263  ?   ?  0.000000 8.026291 
1 1 1  -13    7   14 o  599.352   11.442  1246.34   47.463   0.0000   0.0000  1246.34   47.463  ?   ?   599.352   11.442 0.000000 11.44172 
1 1 1  -13    7   15 o  427.726   7.1440  634.095   21.149  639.024   38.345  631.940   25.354  428.629   12.926  426.852   8.5820 1.776917 15.51519 
1 1 1  -13    7   16 o   95.469   16.892   32.843   10.753   24.423   14.743   42.411   15.717   82.255   24.248  107.760   21.822 -25.50428 32.62160 
1 1 1  -13    7   17 o   62.156   20.386   13.200   10.126   26.551   13.867  -2.0525   14.822   84.884   23.022   51.243   22.313 33.64011 32.06067 
1 1 1  -13    7   18 o   45.712   19.498   0.2738   10.879  -4.4478   16.346   4.0281   14.576   51.811   22.961   56.069   23.149 -4.257870 32.60545 
1 1 1  -13    7   19 o   63.335   20.852   14.015   10.591   20.676   14.896   7.2062   15.062   75.799   24.719   59.638   23.932 16.16069 34.40569 
1 1 1  -13    7   20 o  181.585   10.334  116.015   12.934   97.629   16.249  147.805   21.366  165.237   14.351  203.132   15.310 -37.89505 20.98449 
1 1 1  -13    7   21 o  152.658   10.615   82.575   11.145   86.369   15.457   78.468   16.085  154.560   14.624  146.590   16.120 7.969727 21.76474 
1 1 1  -13    9    1 o  194.489   5.5012  130.928   7.4051  114.524   10.260  148.764   10.699  181.875   8.1506  207.295   7.4570 -25.42018 11.04712 
1 1 1  -13    9    2 o  277.614   4.8588  266.756   9.3357  242.497   12.767  294.638   13.687  264.664   6.9695  291.736   6.7785 -27.07251 9.722244 
1 1 1  -13    9    3 o  290.599   5.6520  292.329   11.368  264.976   18.520  308.866   14.400  276.585   9.6745  298.681   6.9658 -22.09586 11.92135 
1 1 1  -13    9    4 o  475.622   5.0322  783.065   16.565  752.856   22.910  816.159   23.980  466.290   7.0990  485.497   7.1364 -19.20663 10.06603 
1 1 1  -13    9    5 o  369.487   5.0479  472.570   12.909  475.797   18.204  469.306   18.308  370.696   7.0955  368.156   7.1849 2.539856 10.09797 
1 1 1  -13    9    6 o  401.393   7.2709  557.811   20.199  541.463   27.016  578.537   30.418  395.391   9.8721  408.670   10.754 -13.27942 14.59850 
1 1 1  -13    9    7 o  347.010   10.341  417.024   24.837  417.024   24.837   0.0000   0.0000  347.010   10.341  ?   ?  0.000000 10.34143 
1 1 1  -13    9    8 o  987.792   7.4294  3377.71   50.792  3365.37  100.628  3381.93   58.838  985.507   14.753  988.354   8.6013 -2.846741 17.07734 
1 1 1  -13    9    9 o  1410.88   9.9211  6892.34   96.879  6829.27  191.215  6914.12  112.368  1403.28   19.688  1412.97   11.490 -9.699463 22.79571 
1 1 1  -13    9   10 o  763.730   6.4314  2019.02   33.996  1908.78   64.339  2061.72   40.042  742.318   12.523  771.728   7.4968 -29.40985 14.59535 
1 1 1  -13    9   11 o  946.854   10.557  3105.31   69.183   0.0000   0.0000  3105.31   69.183  ?   ?   946.854   10.557 0.000000 10.55702 
1 1 1  -13    9   12 o  359.943   5.8826  448.511   14.655  441.966   20.065  455.993   21.455  357.249   8.1152  362.861   8.5429 -5.611664 11.78295 
1 1 1  -13    9   13 o  244.766   7.3258  207.479   12.410  208.231   17.132  206.648   18.002  245.127   10.098  244.174   10.652 0.9527435 14.67792 
1 1 1  -13    9   14 o  273.725   6.8661  259.539   13.008  252.166   17.930  267.732   18.900  269.683   9.6060  277.870   9.8276 -8.186737 13.74250 
1 1 1  -13    9   15 o  364.524   8.5843  460.905   21.658  456.000   34.490  464.098   27.828  361.918   13.769  365.512   11.000 -3.593781 17.62370 
1 1 1  -13    9   16 o   44.140   17.866   2.9411   8.4731  -0.5365   9.8189   13.083   16.768   42.881   18.413   69.191   25.925 -26.30978 31.79832 
1 1 1  -13    9   17 o  150.592   10.702   79.400   11.082   79.400   11.082   0.0000   0.0000  150.592   10.702  ?   ?  0.000000 10.70245 
1 1 1  -13    9   18 o  125.519   13.823   55.965   11.809   40.917   16.005   73.951   17.497  104.789   22.722  143.347   18.035 -38.55800 29.00967 
1 1 1  -13    9   19 o  145.291   9.7013   74.062   9.6993   74.124   11.438   73.902   18.302  144.956   11.495  142.441   19.041 2.515167 22.24177 
1 1 1  -13    9   20 o  106.465   13.253   40.689   9.5541   46.604   11.032   22.941   19.109  113.719   14.335   80.013   27.989 33.70566 31.44674 
1 1 1  -13    9   21 o   39.361   17.448  -2.3085   9.4443   0.0657   10.942  -9.2439   18.702   44.757   19.329   51.035   23.394 -6.278461 30.34604 
1 1 1  -13   11    1 o  218.543   5.2424  165.318   7.9295  154.445   10.934  177.382   11.517  211.209   7.4796  226.351   7.3516 -15.14259 10.48761 
1 1 1  -13   11    2 o  682.367   5.6973  1611.82   26.907  1523.12   36.366  1719.12   39.998  663.230   7.9223  704.599   8.2020 -41.36871 11.40330 
1 1 1  -13   11    3 o  899.303   7.8673  2800.61   48.968  2596.58   78.503  2930.55   62.650  865.408   13.106  919.754   9.8418 -54.34662 16.39024 
1 1 1  -13   11    4 o  939.944   7.0887  3059.18   46.115  2955.87   63.184  3176.94   67.459  923.682   9.8834  957.567   10.179 -33.88477 14.18761 
1 1 1  -13   11    5 o  416.604   5.1083  600.773   14.729  603.389   20.792  598.138   20.868  417.456   7.1964  415.634   7.2542 1.822357 10.21827 
1 1 1  -13   11    6 o  345.613   6.9280  413.521   16.572  382.976   23.144  445.659   23.740  332.532   10.056  358.729   9.5616 -26.19672 13.87624 
1 1 1  -13   11    7 o  1057.21   7.7875  3869.40   56.982  3892.68  113.618  3861.58   65.864  1059.74   15.491  1056.06   9.0112 3.676758 17.92105 
1 1 1  -13   11    8 o  940.306   8.2988  3060.96   54.009  2982.44   90.430  3104.50   67.337  927.821   14.082  946.870   10.275 -19.04846 17.43237 
1 1 1  -13   11    9 o  409.945   6.4396  581.701   18.271  531.219   29.246  614.016   23.399  391.670   10.789  421.151   8.0276 -29.48016 13.44752 
1 1 1  -13   11   10 o  491.544   6.5946  836.364   22.435  769.756   35.689  879.881   28.847  471.446   10.938  504.128   8.2678 -32.68179 13.71093 
1 1 1  -13   11   11 o  292.622   15.255  297.707   30.788   0.0000   0.0000  297.707   30.788  ?   ?   292.622   15.255 0.000000 15.25491 
1 1 1  -13   11   12 o  714.901   7.5431  1769.73   37.323  1910.73   66.400  1704.61   45.126  742.389   12.923  701.512   9.2943 40.87744 15.91799 
1 1 1  -13   11   13 o  271.244   7.2946  254.803   13.694  272.818   17.715  228.049   21.588  280.607   9.1213  256.431   12.164 24.17575 15.20363 
1 1 1  -13   11   14 o  317.743   6.3699  349.694   14.008  357.572   17.107  333.659   24.406  321.237   7.6943  310.070   11.373 11.16702 13.73106 
1 1 1  -13   11   15 o  277.592   6.1405  266.995   11.798  263.204   13.687  277.951   23.271  275.552   7.1767  282.746   11.891 -7.194550 13.88918 
1 1 1  -13   11   16 o  279.839   7.1891  271.635   13.924  275.103   17.503  265.659   22.979  281.433   8.9858  276.160   12.023 5.273285 15.00952 
1 1 1  -13   11   17 o  164.159   8.4688   93.909   9.5892   97.156   11.359   85.854   17.889  166.774   9.8850  155.293   16.918 11.48090 19.59382 
1 1 1  -13   11   18 o   79.154   16.311   22.915   8.6385   16.373   10.093   40.834   16.704   67.239   20.121  104.396   23.664 -37.15743 31.06218 
1 1 1  -13   11   19 o  103.449   17.600   39.172   12.150   32.585   17.308   45.571   17.060   92.428   25.977  109.922   23.156 -17.49367 34.79967 
1 1 1  -13   11   20 o  106.671   13.064   40.825   9.4436   49.665   10.815   12.459   19.374  117.660   13.527   69.191   27.345 48.46989 30.50795 
1 1 1  -13   13    1 o  370.256   4.7409  474.514   12.149  425.799   16.421  533.422   18.057  350.694   6.7654  392.523   6.6468 -41.82864 9.484272 
1 1 1  -13   13    2 o  576.277   6.0381  1149.69   24.083  1045.85   38.466  1216.63   30.885  549.442   10.115  592.751   7.5283 -43.30975 12.60935 
1 1 1  -13   13    3 o  279.091   5.1898  269.633   10.025  239.374   13.593  305.711   14.843  262.920   7.4701  297.133   7.2176 -34.21228 10.38731 
1 1 1  -13   13    4 o  749.447   6.1005  1944.50   31.644  1838.88   42.636  2074.02   47.215  728.672   8.4542  773.831   8.8157 -45.15991 12.21430 
1 1 1  -13   13    5 o  156.023   14.466   85.122   15.444   85.122   15.444   0.0000   0.0000  156.023   14.466  ?   ?  0.000000 14.46607 
1 1 1  -13   13    6 o  676.822   8.1048  1586.03   37.966  1496.10   51.333  1694.63   56.410  657.200   11.285  699.426   11.653 -42.22601 16.22204 
1 1 1  -13   13    7 o  972.261   14.488  3275.61   97.492  3275.61   97.492   0.0000   0.0000  972.261   14.488  ?   ?  0.000000 14.48799 
1 1 1  -13   13    8 o  733.214   7.1182  1860.94   36.122  1811.71   60.116  1888.76   45.190  723.259   12.009  738.617   8.8399 -15.35815 14.91208 
1 1 1  -13   13    9 f  851.268   7.8254  2508.60   46.105  2536.10   79.461  2494.65   56.608  855.627   13.418  848.820   9.6358 6.807251 16.51951 
1 1 1  -13   13   10 o  1088.31   8.1042  4100.64   61.044  4222.93  124.188  4061.68   70.096  1103.66   16.258  1083.05   9.3513 20.61133 18.75553 
1 1 1  -13   13   11 o  373.111   7.9221  482.022   20.458  482.022   20.458   0.0000   0.0000  373.111   7.9221  ?   ?  0.000000 7.922085 
1 1 1  -13   13   12 o  667.068   12.064  1542.44   55.697  1542.44   55.697   0.0000   0.0000  667.068   12.064  ?   ?  0.000000 12.06384 
1 1 1  -13   13   13 o  243.526   7.2549  205.397   12.228  200.797   14.914  214.829   21.358  240.733   8.9515  248.860   12.400 -8.127106 15.29340 
1 1 1  -13   13   14 o   95.953   14.237   32.701   9.1682   35.188   10.789   26.239   17.394   99.257   16.268   86.321   26.538 12.93675 31.12765 
1 1 1  -13   13   15 o  196.684   7.5285  134.134   10.248  138.662   11.940  121.463   19.974  199.914   8.6293  185.911   15.669 14.00247 17.88814 
1 1 1  -13   13   16 o  296.455   8.8964  305.279   18.254  305.279   18.254   0.0000   0.0000  296.455   8.8964  ?   ?  0.000000 8.896418 
1 1 1  -13   13   17 o  101.855   17.393   37.550   11.821   27.766   15.756   50.146   17.878   86.787   24.920  116.588   22.973 -29.80082 33.89383 
1 1 1  -13   13   18 o   65.983   18.432   15.941   8.7419   13.202   10.151   23.805   17.200   61.881   20.416   81.454   26.562 -19.57306 33.50120 
1 1 1  -13   13   19 o  243.757   6.8473  206.640   11.552  210.134   13.625  197.707   21.785  245.584   8.0162  236.436   13.367 9.148422 15.58678 
1 1 1  -13   13   20 o  104.779   13.333   39.491   9.4499   43.769   11.109   28.293   17.974  109.865   15.002   85.850   27.073 24.01495 30.95128 
1 1 1  -13   15    1 o  260.284   5.9737  234.540   10.761  226.313   12.856  253.805   19.672  255.653   7.2654  270.648   10.502 -14.99480 12.77007 
1 1 1  -13   15    2 o  656.159   6.4523  1490.65   29.302  1363.42   46.731  1573.09   37.616  627.261   10.764  673.967   8.0641 -46.70636 13.44973 
1 1 1  -13   15    3 o  389.292   6.9607  524.730   18.755  524.730   18.755   0.0000   0.0000  389.292   6.9607  ?   ?  0.000000 6.960723 
1 1 1  -13   15    4 f   50.884   17.171   8.3473   7.1739  -1.3044   13.000   12.573   8.6022   49.054   21.127   60.333   18.682 -11.27815 28.20226 
1 1 1  -13   15    5 o  270.613   7.3766  253.537   13.816  230.878   18.963  279.171   20.170  258.176   10.613  283.905   10.265 -25.72867 14.76473 
1 1 1  -13   15    6 o  260.028   6.4745  234.053   11.652  213.415   18.393  247.888   15.060  248.236   10.706  267.580   8.1317 -19.34428 13.44367 
1 1 1  -13   15    7 o  244.099   6.9168  206.254   11.686  222.732   18.789  195.860   14.923  253.611   10.704  237.844   9.0652 15.76689 14.02709 
1 1 1  -13   15    8 o  615.774   6.5845  1312.48   28.062  1249.27   45.907  1350.20   35.459  600.630   11.043  624.517   8.2035 -23.88684 13.75677 
1 1 1  -13   15    9 o  658.417   8.3075  1500.82   37.857  1518.54   53.412  1482.93   53.666  662.160   11.655  654.341   11.850 7.818909 16.62082 
1 1 1  -13   15   10 o  1036.72   7.7400  3721.05   55.537  3750.41   78.807  3692.08   78.279  1040.57   10.942  1032.45   10.955 8.125000 15.48354 
1 1 1  -13   15   12 o  442.331   13.326  678.537   40.797   0.0000   0.0000  678.537   40.797  ?   ?   442.331   13.326 0.000000 13.32601 
1 1 1  -13   15   13 o  185.980   13.231  120.648   16.920   0.0000   0.0000  120.648   16.920  ?   ?   185.980   13.231 0.000000 13.23132 
1 1 1  -13   15   14 o  348.983   5.6542  421.802   13.657  433.470   15.977  390.146   26.316  353.728   6.5259  335.218   11.343 18.51047 13.08617 
1 1 1  -13   15   15 o  238.329   6.6323  196.880   10.940  207.763   12.749  166.488   21.306  244.770   7.5256  218.081   14.193 26.68918 16.06464 
1 1 1  -13   15   16 o  187.010   7.5782  121.371   9.8086  131.576   11.462   93.463   18.956  194.641   8.5088  162.297   17.134 32.34386 19.13075 
1 1 1  -13   15   17 o  205.219   8.5573  146.440   12.154  144.599   15.618  149.268   19.355  203.289   11.142  205.996   13.653 -2.706970 17.62255 
1 1 1  -13   15   18 o  182.557   16.001  118.683   20.013   0.0000   0.0000  118.683   20.013  ?   ?   182.557   16.001 0.000000 16.00081 
1 1 1  -13   15   19 o   56.078   19.151   10.576   8.9242   12.717   10.185   3.4995   18.519   60.785   20.460   60.790   25.663 -0.5836487E-02 32.82090 
1 1 1  -13   15   20 o   37.241   16.955  -5.2855   9.6080  -0.1015   11.440 -17.6976   17.701   45.836   19.780   45.307   21.416 0.5288315 29.15252 
1 1 1  -13   17    1 o  211.360   7.8521  154.704   11.486  137.171   15.220  177.902   17.507  198.642   11.115  226.571   11.164 -27.92918 15.75425 
1 1 1  -13   17    2 o  189.861   7.2989  124.818   9.5912  119.096   11.360  139.024   17.899  185.433   8.8512  199.824   13.013 -14.39110 15.73822 
1 1 1  -13   17    4 o  273.645   10.193  259.366   19.304  259.366   19.304   0.0000   0.0000  273.645   10.193  ?   ?  0.000000 10.19262 
1 1 1  -13   17    5 f  478.011   7.0780  791.016   23.417  888.293   34.824  710.732   31.637  506.460   9.9348  453.017   10.090 53.44254 14.16028 
1 1 1  -13   17    6 o  640.875   11.047  1422.44   48.999  1422.44   48.999   0.0000   0.0000  640.875   11.047  ?   ?  0.000000 11.04681 
1 1 1  -13   17    7 o  480.719   6.1039  799.876   20.308  727.317   32.080  848.404   26.235  458.313   10.113  495.057   7.6568 -36.74448 12.68482 
1 1 1  -13   17    8 o  407.213   5.1522  573.925   14.521  575.894   20.264  571.846   20.819  407.883   7.1781  406.443   7.4009 1.440033 10.31007 
1 1 1  -13   17    9 o  754.439   6.2485  1970.16   32.627  1979.56   46.047  1960.69   46.236  756.143   8.7988  752.529   8.8773 3.613831 12.49905 
1 1 1  -13   17   10 o  767.439   6.3659  2038.80   33.813  2047.36   47.638  2030.11   48.001  768.927   8.9515  765.676   9.0579 3.250671 12.73479 
1 1 1  -13   17   11 o  1182.01   8.5934  4838.52   70.301  4926.51  100.857  4755.37   98.043  1192.26   12.223  1171.38   12.093 20.87329 17.19410 
1 1 1  -13   17   12 o  112.134   15.684   44.494   11.839   45.839   18.552   43.570   15.377  112.504   24.519  110.093   20.946 2.410873 32.24736 
1 1 1  -13   17   13 o  255.790   10.645  226.893   18.845   0.0000   0.0000  226.893   18.845  ?   ?   255.790   10.645 0.000000 10.64462 
1 1 1  -13   17   14 o  165.443   9.3406   95.250   10.652  104.025   12.793   75.415   19.234  172.771   10.752  145.585   19.585 27.18535 22.34233 
1 1 1  -13   17   15 o  286.434   7.0275  284.468   13.932  284.468   13.932   0.0000   0.0000  286.434   7.0275  ?   ?  0.000000 7.027543 
1 1 1  -13   17   16 o  132.309   13.077   61.701   11.818   71.805   16.087   49.854   17.420  142.085   16.676  116.675   22.387 25.41003 27.91475 
1 1 1  -13   17   17 o  107.338   14.760   41.186   10.675   43.948   14.042   37.405   16.433  109.837   19.169  100.088   24.027 9.748360 30.73644 
1 1 1  -13   17   18 o   44.704   18.023   3.4204   8.5857   5.5580   9.9573  -2.7751   16.952   50.092   19.665   53.876   23.649 -3.784187 30.75716 
1 1 1  -13   17   19 o  111.580   12.167   44.299   9.2436   54.731   10.755   14.810   18.082  124.015   12.710   70.768   26.832 53.24709 29.69018 
1 1 1  -13   17   20 o  101.767   13.830   37.462   9.4890   45.729   11.195   16.366   17.884  112.292   14.762   71.402   26.770 40.89011 30.56999 
1 1 1  -13   19    1 o  653.451   6.4628  1478.29   29.229  1329.27   46.354  1576.66   37.659  619.398   10.813  674.759   8.0639 -55.36096 13.48869 
1 1 1  -13   19    2 o  251.703   10.221  219.463   17.806  219.463   17.806   0.0000   0.0000  251.703   10.221  ?   ?  0.000000 10.22121 
1 1 1  -13   19    3 o  528.335   10.098  966.829   36.926  966.829   36.926   0.0000   0.0000  528.335   10.098  ?   ?  0.000000 10.09814 
1 1 1  -13   19    4 o  971.749   10.221  3270.42   68.740  3225.37   95.652  3318.54   98.853  964.659   14.327  978.464   14.597 -13.80444 20.45298 
1 1 1  -13   19    5 o  546.805   6.1538  1034.96   23.289  1026.83   38.411  1039.69   29.286  544.531   10.192  548.011   7.7213 -3.480103 12.78645 
1 1 1  -13   19    6 o  454.610   9.8443  715.610   30.974  715.610   30.974   0.0000   0.0000  454.610   9.8443  ?   ?  0.000000 9.844275 
1 1 1  -13   19    7 o  688.847   6.7527  1642.49   32.194  1602.28   38.403  1737.56   59.053  680.324   8.1559  708.307   12.046 -27.98358 14.54739 
1 1 1  -13   19    8 o  651.567   6.6293  1469.52   29.895  1478.14   36.586  1452.19   51.861  653.435   8.0897  647.547   11.572 5.888367 14.11896 
1 1 1  -13   19    9 o  194.729   7.3452  131.270   9.8995  122.933   13.273  141.721   14.861  188.132   10.233  202.009   10.667 -13.87697 14.78115 
1 1 1  -13   19   10 o  447.464   5.4690  693.065   16.937  678.718   23.281  709.196   24.686  442.755   7.5974  452.578   7.8809 -9.823456 10.94667 
1 1 1  -13   19   11 o  158.648   12.214   87.755   13.308   66.683   23.328   97.922   16.204  136.135   25.701  167.445   14.114 -31.30936 29.32098 
1 1 1  -13   19   13 o  111.261   16.406   43.986   12.254   41.815   19.043   45.520   16.009  107.080   25.963  112.346   21.370 -5.266335 33.62673 
1 1 1  -13   19   14 o  127.018   12.846   56.676   11.138   68.270   15.451   44.138   16.069  138.952   16.381  110.276   21.826 28.67651 27.28971 
1 1 1  -13   19   15 o  186.079   7.8314  120.130   10.086  122.479   11.824  113.854   19.326  187.805   9.0964  179.799   15.687 8.006149 18.13389 
1 1 1  -13   19   16 o  157.534   8.6528   86.494   9.3981   93.584   10.913   66.146   18.488  163.741   9.6728  135.307   20.374 28.43472 22.55367 
1 1 1  -13   19   17 o  171.363   9.7418  102.639   11.506   96.915   14.680  111.756   18.528  165.876   12.888  177.610   15.219 -11.73407 19.94334 
1 1 1  -13   19   18 o  106.895   14.604   41.021   10.522   36.792   12.942   49.268   18.071   99.811   19.433  114.534   23.582 -14.72305 30.55771 
1 1 1  -13   19   19 o  148.332   9.3652   77.226   9.5651   77.800   11.011   75.463   19.310  148.545   10.783  143.124   20.044 5.421265 22.76049 
1 1 1  -13   19   20 o   36.109   16.924  -9.8196   10.644  -9.8196   10.644   0.0000   0.0000   36.109   16.924  ?   ?  0.000000 16.92351 
1 1 1  -13   21    1 o  555.526   6.0884  1068.31   23.409  972.683   37.807  1127.76   29.811  529.920   10.308  570.725   7.5470 -40.80524 12.77553 
1 1 1  -13   21    2 o  1052.86   7.7135  3838.01   56.209  3824.88  112.264  3842.40   64.934  1050.28   15.444  1053.38   8.9065 -3.096069 17.82808 
1 1 1  -13   21    3 o  292.466   5.2393  296.065   10.605  260.000   20.060  310.056   12.494  273.986   10.578  299.286   6.0318 -25.30005 12.17731 
1 1 1  -13   21    4 o  939.050   9.9559  3053.66   64.706  3021.95   90.171  3087.32   92.907  933.857   13.951  943.878   14.222 -10.02112 19.92222 
1 1 1  -13   21    5 o  317.455   6.1413  348.828   13.493  320.732   20.736  369.463   17.770  304.346   9.8440  326.685   7.8595 -22.33908 12.59667 
1 1 1  -13   21    6 o  858.678   13.401  2554.15   79.644   0.0000   0.0000  2554.15   79.644  ?   ?   858.678   13.401 0.000000 13.40130 
1 1 1  -13   21    7 o  407.430   5.1842  574.536   14.619  559.775   19.718  592.554   21.785  402.136   7.0844  413.733   7.6078 -11.59760 10.39556 
1 1 1  -13   21    8 o  717.369   6.0521  1781.27   30.049  1733.63   41.197  1835.43   43.925  707.637   8.4117  728.105   8.7164 -20.46783 12.11332 
1 1 1  -13   21    9 o  277.832   5.9813  267.195   11.502  268.891   15.744  265.254   16.843  278.680   8.1626  276.778   8.7924 1.902252 11.99730 
1 1 1  -13   21   10 o  781.104   6.4717  2112.20   34.987  2162.87   50.137  2064.10   48.846  790.263   9.1667  772.010   9.1417 18.25360 12.94600 
1 1 1  -13   21   11 o  583.948   5.8044  1180.50   23.459  1201.06   33.156  1159.89   33.196  588.900   8.1348  578.709   8.2878 10.19037 11.61309 
1 1 1  -13   21   12 f  134.486   11.726   63.198   10.805   50.454   14.599   78.636   16.068  119.076   18.299  149.635   15.751 -30.55898 24.14465 
1 1 1  -13   21   13 o  379.181   6.7021  498.069   17.589  469.561   27.656  517.430   22.792  367.861   10.863  386.358   8.5235 -18.49692 13.80747 
1 1 1  -13   21   14 o   47.163   20.629  -2.6924   12.799  -3.4076   14.165   0.4883   29.873   49.223   21.612   75.359   32.231 -26.13667 38.80617 
1 1 1  -13   21   15 o  128.169   11.346   57.616   9.9611   46.500   12.042   81.707   17.728  114.269   15.636  151.725   17.185 -37.45613 23.23384 
1 1 1  -13   21   16 o  142.230   11.557   71.009   11.278   78.029   14.234   59.171   18.485  148.670   13.998  127.362   21.751 21.30772 25.86598 
1 1 1  -13   21   17 o  128.121   10.547   57.663   9.2691   73.127   10.847   15.800   17.847  144.308   10.942   72.556   26.832 71.75192 28.97726 
1 1 1  -13   21   18 o   89.348   15.108   28.964   9.0096   30.534   10.449   24.415   17.789   91.250   17.175   82.071   27.024 9.178680 32.02027 
1 1 1  -13   21   19 f   46.409   18.512   4.3547   8.9548  -4.8027   10.230   34.361   18.519   39.175   17.700   94.068   27.018 -54.89298 32.29987 
1 1 1  -13   21   20 f  113.044   12.842   45.948   9.8689   47.176   11.384   42.234   19.798  113.887   14.792  102.470   27.389 11.41676 31.12839 
1 1 1  -13   23    1 o  1654.11   11.363  9477.64  130.085  9131.71  249.691  9606.52  152.402  1621.41   22.250  1665.03   13.225 -43.62573 25.88371 
1 1 1  -13   23    2 o  497.618   10.202  857.561   35.135  857.561   35.135   0.0000   0.0000  497.618   10.202  ?   ?  0.000000 10.20158 
1 1 1  -13   23    3 f  278.459   5.9073  268.394   11.385  268.634   19.649  268.272   13.969  278.519   10.193  278.380   7.2500 0.1394348 12.50854 
1 1 1  -13   23    4 o  391.725   5.8418  531.131   15.838  520.000   26.024  537.678   19.960  387.527   9.7029  394.108   7.3176 -6.581665 12.15294 
1 1 1  -13   23    6 o  457.628   7.0574  724.922   22.353  724.922   22.353   0.0000   0.0000  457.628   7.0574  ?   ?  0.000000 7.057364 
1 1 1  -13   23    7 o  885.483   7.8969  2714.34   48.396  2610.52   57.134  2978.05   91.059  868.313   9.5070  927.128   14.191 -58.81470 17.08103 
1 1 1  -13   23    8 o  630.736   5.7228  1377.01   24.982  1340.96   34.100  1418.78   36.704  622.363   7.9164  640.152   8.2843 -17.78949 11.45859 
1 1 1  -13   23   10 o  773.615   7.4514  2072.25   39.897  2090.73   69.193  2063.04   48.832  776.622   12.873  771.784   9.1418 4.837219 15.78871 
1 1 1  -13   23   11 o  144.733   10.596   72.983   10.541   74.982   14.377   70.660   15.499  146.305   14.384  141.756   16.082 4.548447 21.57661 
1 1 1  -13   23   12 o  408.058   5.7735  576.563   16.306  583.446   22.604  569.095   23.544  410.378   7.9583  405.275   8.3937 5.103851 11.56670 
1 1 1  -13   23   13 o  160.428   12.287   89.934   13.540   93.441   15.256   76.927   29.380  163.369   13.617  144.806   30.289 18.56355 33.20881 
1 1 1  -13   23   14 o   88.225   19.516   28.355   11.601   39.873   17.298   18.940   15.639  104.189   24.414   75.363   25.354 28.82643 35.19738 
1 1 1  -13   23   15 o   44.265   19.205  -1.4462   10.902   9.5398   14.491 -15.7707   16.547   62.287   23.923   45.298   21.189 16.98901 31.95765 
1 1 1  -13   23   16 f  160.338   8.7163   89.650   9.6363  102.459   11.256   54.488   18.648  171.320   9.5302  121.650   22.991 49.67027 24.88806 
1 1 1  -13   23   17 o  149.787   9.2258   78.464   9.5178   77.621   10.973   81.024   19.126  148.702   10.734  149.807   18.865 -1.104385 21.70487 
1 1 1  -13   23   18 o  121.782   11.432   52.449   9.5227   55.005   10.901   44.220   19.562  124.397   12.847  107.237   26.508 17.15981 29.45731 
1 1 1  -13   23   19 o  104.360   18.945   40.504   13.180   40.504   13.180   0.0000   0.0000  104.360   18.945  ?   ?  0.000000 18.94453 
1 1 1  -13   25    1 o  219.521   7.1646  166.819   10.885  163.024   18.699  168.764   13.387  216.572   12.529  220.778   8.7612 -4.206039 15.28813 
1 1 1  -13   25    2 o  475.349   10.039  782.439   33.027  782.439   33.027   0.0000   0.0000  475.349   10.039  ?   ?  0.000000 10.03880 
1 1 1  -13   25    3 o  348.258   5.7006  419.792   13.740  393.463   23.393  433.659   16.978  337.091   10.027  353.947   6.9304 -16.85577 12.18894 
1 1 1  -13   25    4 o  1037.89   7.6398  3729.02   54.879  3617.75   75.244  3855.50   80.217  1022.13   10.636  1055.16   10.984 -33.02917 15.29001 
1 1 1  -13   25    6 o  759.578   6.1865  1997.04   32.523  1944.06   44.729  2056.46   47.375  749.360   8.6243  770.708   8.8814 -21.34784 12.37974 
1 1 1  -13   25    7 o  1121.25   8.1600  4352.47   63.324  4268.80   87.610  4444.02   91.634  1110.20   11.402  1132.74   11.688 -22.53235 16.32844 
1 1 1  -13   25    8 o  188.660   7.6155  123.224   9.9438   98.837   13.175  155.509   15.159  168.537   11.361  211.900   10.336 -43.36292 15.35905 
1 1 1  -13   25    9 o  967.485   8.5035  3241.32   56.940  3148.78   95.111  3293.02   71.087  952.984   14.420  974.998   10.534 -22.01355 17.85810 
1 1 1  -13   25   10 o   85.748   17.361   26.450   9.9500   29.279   13.448   23.029   14.790   89.959   21.823   80.993   24.385 8.965523 32.72361 
1 1 1  -13   25   11 o  493.538   8.2203  843.743   28.079   0.0000   0.0000  843.743   28.079  ?   ?   493.538   8.2203 0.000000 8.220260 
1 1 1  -13   25   12 o  437.735   5.7420  663.531   17.396  674.945   24.061  651.030   25.180  441.353   7.8769  433.426   8.3940 7.926544 11.51107 
1 1 1  -13   25   13 o   81.858   18.639   24.347   10.323   41.988   14.205   4.6017   15.028  107.895   19.750   58.090   23.689 49.80492 30.84193 
1 1 1  -13   25   14 o   88.432   18.839   28.461   11.178   30.351   17.270   27.098   14.663   91.259   26.054   86.189   23.797 5.070251 35.28648 
1 1 1  -13   25   15 o  210.903   10.089  154.745   14.727  174.049   27.985  147.351   17.319  221.588   18.414  205.189   12.252 16.39928 22.11752 
1 1 1  -13   25   16 o   66.360   18.070   16.081   8.5231   16.836   9.9063   13.932   16.723   68.132   19.817   69.570   25.925 -1.437813 32.63142 
1 1 1  -13   25   17 o   52.557   18.831   8.5002   8.6941   8.5238   9.8869   8.4195   18.259   54.202   19.986   65.273   26.294 -11.07138 33.02733 
1 1 1  -13   25   18 o  143.109   9.9830   71.976   9.8260   81.434   11.037   35.834   21.575  152.134   10.547   96.461   29.540 55.67295 31.36631 
1 1 1  -13   25   19 o  142.615   10.359   71.789   10.155   66.752   11.526   89.268   21.472  136.944   12.292  155.051   20.513 -18.10690 23.91338 
1 1 1  -13   27    1 o   86.231   15.141   26.525   8.7066   31.727   15.412   24.088   10.552   93.789   23.726   81.712   19.015 12.07686 30.40518 
1 1 1  -13   27    2 o  998.783   10.472  3454.32   72.393  3367.80   99.959  3549.76  104.984  985.898   14.649  1012.15   14.987 -26.25293 20.95700 
1 1 1  -13   27    3 o  1314.53   9.2734  5982.70   84.370  5741.72  114.342  6270.71  125.005  1287.51   12.832  1345.45   13.424 -57.94495 18.57020 
1 1 1  -13   27    4 o  823.511   6.4814  2347.39   36.941  2289.08   51.039  2411.55   53.536  813.129   9.0692  834.589   9.2682 -21.45990 12.96730 
1 1 1  -13   27    5 o  1474.90   10.265  7532.33  104.781  7225.60  141.533  7904.33  155.865  1444.18   14.160  1510.39   14.910 -66.21460 20.56254 
1 1 1  -13   27    6 o  218.511   12.696  165.951   19.118   0.0000   0.0000  165.951   19.118  ?   ?   218.511   12.696 0.000000 12.69596 
1 1 1  -13   27    7 o  1004.27   7.5043  3491.57   52.160  3404.02   71.744  3589.75   75.968  991.415   10.456  1018.08   10.781 -26.66278 15.01869 
1 1 1  -13   27    8 o  235.664   6.5157  192.260   10.628  184.530   14.221  202.036   15.993  230.842   8.9013  241.531   9.5673 -10.68910 13.06771 
1 1 1  -13   27    9 o  117.840   12.594   48.678   10.112   46.090   13.566   51.914   15.169  113.876   17.795  120.858   18.742 -6.981575 25.84400 
1 1 1  -13   27   10 o  873.632   6.9140  2642.79   41.805  2604.59   57.836  2684.58   60.497  867.051   9.6378  880.234   9.9303 -13.18213 13.83826 
1 1 1  -13   27   11 o  122.725   12.317   52.772   10.321   48.724   13.789   57.931   15.564  117.085   17.557  127.792   18.103 -10.70744 25.21864 
1 1 1  -13   27   12 o  129.031   13.810   58.528   12.142   59.416   13.867   55.610   25.136  129.712   15.771  123.072   29.822 6.639816 33.73530 
1 1 1  -13   27   13 o  525.275   5.8073  955.883   21.112  988.015   29.859  923.760   29.856  533.751   8.0829  516.065   8.3588 17.68671 11.62767 
1 1 1  -13   27   14 o  131.604   12.825   60.926   11.533   90.976   17.406   37.410   15.398  160.499   15.878  100.934   22.604 59.56495 27.62312 
1 1 1  -13   27   15 o  128.916   12.154   58.493   10.716   68.873   15.162   48.132   15.148  139.189   16.032  115.162   19.714 24.02673 25.40988 
1 1 1  -13   27   16 f   93.633   15.909   31.703   9.9410   17.455   12.348   57.951   16.759   70.273   22.469  126.236   19.836 -55.96287 29.97207 
1 1 1  -13   27   17 o   62.096   18.657   13.940   8.6647   17.781   9.7202  -0.9224   19.119   69.463   19.448   58.565   25.421 10.89849 32.00677 
1 1 1  -13   27   18 o   97.271   14.453   34.201   9.4342   41.321   10.328  -1.6820   23.185  107.146   14.283   63.113   27.682 44.03351 31.14911 
1 1 1  -13   27   19 o   62.567   19.594   14.337   9.4329   18.689   10.694  -0.9137   20.020   70.455   20.618   58.719   25.739 11.73634 32.97917 
1 1 1  -13   29    1 o  1622.63   15.790  9123.99  177.329   0.0000   0.0000  9123.99  177.329  ?   ?   1622.63   15.790 0.000000 15.78997 
1 1 1  -13   29    2 o  860.817   6.7236  2564.94   40.058  2550.24   79.192  2569.99   46.437  858.036   13.335  861.628   7.7869 -3.591980 15.44231 
1 1 1  -13   29    3 o  648.672   5.6770  1456.38   25.487  1390.07   34.761  1533.48   37.482  633.679   7.9258  665.559   8.1368 -31.87982 11.35893 
1 1 1  -13   29    4 o  1179.83   8.4846  4819.03   69.283  4640.30   94.235  5029.30  102.213  1157.53   11.763  1205.03   12.255 -47.50098 16.98695 
1 1 1  -13   29    5 o  1602.32   12.754  8893.41  141.438  8682.52  168.809  9390.24  259.101  1582.85   15.409  1644.71   22.762 -61.86169 27.48691 
1 1 1  -13   29    6 o  161.496   8.1847   90.528   9.1184   89.780   12.349   91.425   13.522  160.614   11.178  162.003   12.148 -1.389267 16.50842 
1 1 1  -13   29    7 o  654.193   5.8247  1481.41   26.373  1447.65   36.293  1519.18   38.388  646.613   8.1097  662.384   8.3735 -15.77130 11.65689 
1 1 1  -13   29    8 o  619.862   6.6672  1330.21   28.603  1287.81   47.594  1354.18   35.787  609.664   11.279  625.352   8.2684 -15.68823 13.98537 
1 1 1  -13   29    9 o  801.565   6.5486  2224.51   36.330  2167.84   49.755  2289.24   53.172  791.111   9.0870  812.929   9.4504 -21.81744 13.11045 
1 1 1  -13   29   11 o  190.217   8.1255  125.372   10.697  129.610   14.422  120.189   15.950  193.005   10.840  185.665   12.485 7.340515 16.53436 
1 1 1  -13   29   12 o  362.865   5.8401  456.084   14.667  481.157   20.733  430.964   20.752  372.550   8.0407  352.546   8.5048 20.00391 11.70408 
1 1 1  -13   29   13 o  187.730   8.3438  122.274   10.841  132.362   14.886  110.882   15.819  194.818   11.086  177.991   12.930 16.82710 17.03184 
1 1 1  -13   29   14 o   68.135   22.723   15.653   12.562   13.902   25.041   16.241   14.522   78.894   31.117   70.640   24.417 8.253952 39.55343 
1 1 1  -13   29   15 o  232.974   8.1613  188.597   13.160  197.024   20.234  182.419   17.324  237.184   12.369  228.756   10.942 8.428040 16.51409 
1 1 1  -13   29   16 o   88.026   17.465   28.356   10.264   24.479   13.598   33.492   15.650   81.309   23.086   94.515   23.907 -13.20568 33.23413 
1 1 1  -13   29   17 o   30.076   14.598 -15.8484   9.5219 -15.8484   9.5219   0.0000   0.0000   30.076   14.598  ?   ?  0.000000 14.59790 
1 1 1  -13   29   18 o   44.647   18.317   2.8661   9.0527  -1.0766   10.188   17.663   19.736   42.528   18.508   74.924   28.116 -32.39599 33.66053 
1 1 1  -13   29   19 o   42.078   18.095   0.1223   9.5079  -2.6081   10.963   8.4098   19.099   42.401   18.797   64.565   26.560 -22.16410 32.53894 
1 1 1  -13   31    1 o  115.394   12.100   46.623   9.5199   42.746   16.712   48.486   11.583  108.950   22.891  117.401   14.568 -8.450943 27.13326 
1 1 1  -13   31    2 o  808.173   7.4057  2260.94   41.424  2203.42   69.560  2292.55   51.564  797.593   12.601  813.737   9.1555 -16.14459 15.57586 
1 1 1  -13   31    3 o  1100.92   16.032  4200.49  122.156   0.0000   0.0000  4200.49  122.156  ?   ?   1100.92   16.032 0.000000 16.03180 
1 1 1  -13   31    4 o  583.902   5.4814  1180.07   22.152  1150.74   30.654  1212.12   32.046  576.549   7.6821  591.723   7.8250 -15.17389 10.96560 
1 1 1  -13   31    5 f  426.913   5.8949  630.855   17.418  600.513   20.827  701.463   31.771  416.495   7.2249  450.064   10.199 -33.56894 12.49911 
1 1 1  -13   31    7 o  667.829   5.8920  1543.88   27.234  1489.31   37.194  1606.95   39.986  655.825   8.1943  681.219   8.4809 -25.39392 11.79290 
1 1 1  -13   31    8 o  440.931   5.5075  673.021   16.807  648.807   22.785  701.920   24.892  432.864   7.6055  450.219   7.9886 -17.35483 11.02999 
1 1 1  -13   31   10 o  500.029   5.6017  865.695   19.386  880.329   26.812  849.664   28.063  504.122   7.6846  495.231   8.1873 8.891083 11.22876 
1 1 1  -13   31   11 o  418.348   6.5503  606.254   18.966  596.940   22.056  632.683   37.154  415.045   7.6783  426.799   12.578 -11.75430 14.73616 
1 1 1  -13   31   12 o  240.058   7.7852  199.808   12.935  181.463   19.881  213.273   17.033  228.068   12.645  247.865   9.9286 -19.79686 16.07677 
1 1 1  -13   31   13 o   94.105   15.682   31.763   9.8542   11.273   13.270   56.953   14.713   62.949   23.162  126.385   17.273 -63.43544 28.89361 
1 1 1  -13   31   14 o  187.602   12.273  123.276   15.848   0.0000   0.0000  123.276   15.848  ?   ?   187.602   12.273 0.000000 12.27308 
1 1 1  -13   31   15 f  256.538   7.5792  228.620   13.457  281.366   21.880  196.526   17.067  283.970   11.132  237.453   10.385 46.51660 15.22423 
1 1 1  -13   31   16 o   91.302   16.853   30.408   10.257   26.591   13.770   35.168   15.375   84.391   22.963   96.797   23.243 -12.40611 32.67302 
1 1 1  -13   31   17 o   51.993   20.415   6.1702   10.732   11.330   12.634  -7.2049   20.341   61.270   22.592   55.887   25.131 5.382748 33.79324 
1 1 1  -13   31   18 o   50.976   19.070   7.4392   9.0656   5.9556   10.253   12.756   19.409   50.680   19.936   69.530   27.405 -18.84977 33.88894 
1 1 1  -13   33    1 o  1072.80   7.8649  3984.27   58.397  3800.05   78.748  4209.37   87.046  1047.53   10.862  1102.47   11.408 -54.93384 15.75170 
1 1 1  -13   33    2 f  195.481   6.8009  132.276   9.2013  130.716   12.569  134.077   13.507  194.301   9.3466  196.523   9.9627 -2.221985 13.66069 
1 1 1  -13   33    3 o  333.070   6.1299  383.994   14.131  356.390   22.526  401.905   18.145  320.807   10.145  340.725   7.6944 -19.91837 12.73315 
1 1 1  -13   33    4 o  736.129   7.0460  1875.90   35.898  1807.93   42.690  2040.00   66.334  722.611   8.5357  767.363   12.490 -44.75189 15.12791 
1 1 1  -13   33    5 o  1022.66   7.6215  3620.85   53.945  3488.31   73.431  3776.23   79.511  1003.56   10.572  1044.11   11.003 -40.55658 15.25872 
1 1 1  -13   33    6 o  117.259   11.645   48.109   9.3258   62.245   12.797   32.099   13.619  133.257   14.089   94.258   21.368 38.99809 25.59510 
1 1 1  -13   33    7 o  633.173   11.545  1389.27   50.594  1389.27   50.594   0.0000   0.0000  633.173   11.545  ?   ?  0.000000 11.54507 
1 1 1  -13   33    8 o  276.777   6.3549  265.228   12.173  257.192   16.397  275.096   18.171  272.494   8.6943  281.800   9.3166 -9.306183 12.74323 
1 1 1  -13   33    9 o  441.259   5.5568  674.120   16.971  657.768   23.049  693.477   25.079  435.785   7.6421  447.433   8.0985 -11.64835 11.13493 
1 1 1  -13   33   10 o  321.634   5.9798  358.248   13.311  384.056   18.417  330.018   19.262  332.923   7.9928  308.560   9.0195 24.36346 12.05139 
1 1 1  -13   33   11 o  171.522   13.440  102.934   15.827   0.0000   0.0000  102.934   15.827  ?   ?   171.522   13.440 0.000000 13.43952 
1 1 1  -13   33   12 o   30.788   14.850 -14.7900   9.4831  -6.0275   12.686 -25.8860   14.276   44.139   19.848   36.102   17.602 8.037453 26.52833 
1 1 1  -13   33   13 o  254.255   8.0588  224.382   14.181  235.756   25.670  219.386   17.013  259.392   14.355  251.230   9.7844 8.161926 17.37211 
1 1 1  -13   33   14 o   54.224   19.460   8.8819   9.2881   16.186   13.022   1.3187   13.251   69.107   23.136   51.441   21.712 17.66595 31.72825 
1 1 1  -13   33   15 f   49.338   19.510   4.9915   9.8671   12.020   14.646  -0.8495   13.352   64.958   24.251   49.425   21.348 15.53322 32.30862 
1 1 1  -13   33   16 o  137.268   14.875   67.245   13.906   55.122   15.592  114.390   30.747  122.933   18.933  174.867   26.213 -51.93394 32.33524 
1 1 1  -13   33   17 o   66.303   19.884   16.129   9.8491   16.129   9.8491   0.0000   0.0000   66.303   19.884  ?   ?  0.000000 19.88448 
1 1 1  -13   33   18 o  152.279   11.017   82.044   11.533   78.409   13.549   91.610   21.979  148.086   13.363  156.832   20.758 -8.745514 24.68769 
1 1 1  -13   35    1 o  712.288   5.9892  1756.17   29.526  1739.72   41.333  1773.31   42.191  708.858   8.4249  715.664   8.5179 -6.805542 11.98056 
1 1 1  -13   35    2 o  180.865   7.3610  113.246   9.2144  131.239   12.559   92.272   13.560  194.680   9.3212  162.755   12.125 31.92493 15.29376 
1 1 1  -13   35    3 o  350.290   5.3623  424.716   13.000  402.291   17.621  451.504   19.259  340.882   7.4686  361.126   7.7054 -20.24371 10.73091 
1 1 1  -13   35    4 f  183.488   8.7550  116.584   11.118  123.561   17.472  111.837   14.413  188.336   13.494  179.290   11.679 9.045883 17.84583 
1 1 1  -13   35    5 o  350.456   6.5004  425.187   15.767  407.805   26.562  434.644   19.592  343.088   11.186  354.297   7.9898 -11.20889 13.74659 
1 1 1  -13   35    6 o  203.229   7.6874  143.015   10.813  136.075   14.764  151.042   15.880  197.884   10.821  208.497   11.044 -10.61295 15.46184 
1 1 1  -13   35    7 o  397.339   5.5350  546.545   15.221  538.708   21.136  554.987   21.939  394.412   7.7429  400.321   7.9182 -5.908539 11.07474 
1 1 1  -13   35    8 o  222.300   7.4536  171.146   11.468  210.562   15.655  125.504   16.846  246.523   9.1754  189.779   12.902 56.74426 15.83208 
1 1 1  -13   35    9 o  615.224   5.8177  1310.64   24.772  1320.48   34.594  1300.28   35.490  617.351   8.0963  612.586   8.3706 4.764832 11.64550 
1 1 1  -13   35   10 o  230.578   8.0981  184.281   12.923  179.772   14.964  197.512   25.634  227.671   9.4966  237.682   15.671 -10.01065 18.32362 
1 1 1  -13   35   11 o  197.546   8.8601  135.389   12.114  124.488   18.273  143.936   16.180  188.544   14.105  203.182   11.554 -14.63809 18.23320 
1 1 1  -13   35   12 o  128.105   14.058   57.921   12.259   72.000   22.476   51.959   14.627  140.778   23.924  120.444   18.106 20.33435 30.00357 
1 1 1  -13   35   13 o  213.713   7.2308  158.482   10.695  166.540   14.797  149.666   15.477  218.836   9.7694  207.059   10.838 11.77718 14.59095 
1 1 1  -13   35   14 o  272.463   6.4842  257.592   12.228  273.581   16.918  240.105   17.692  280.487   8.7150  262.610   9.7342 17.87787 13.06545 
1 1 1  -13   35   15 o  171.018   8.6419  102.070   10.196  104.764   13.541   98.543   15.493  172.738   11.390  167.013   13.519 5.724625 17.67792 
1 1 1  -13   35   16 o  184.532   9.4900  119.192   12.079  102.195   16.933  136.804   17.237  169.492   14.576  196.871   12.718 -27.37845 19.34467 
1 1 1  -13   35   17 o   65.936   20.523   15.861   10.366 -14.8801   13.588   58.650   16.031   39.438   18.678  126.245   18.931 -86.80670 26.59435 
1 1 1  -13   35   18 o   58.684   20.654   11.621   10.414   17.105   12.297  -2.2771   19.579   68.312   22.468   57.009   25.204 11.30299 33.76474 
1 1 1  -13   37    1 o  411.293   5.3101  585.531   15.116  544.073   20.471  635.232   22.415  396.421   7.4613  428.343   7.5607 -31.92166 10.62239 
1 1 1  -13   37    2 o  528.690   5.4261  967.512   19.855  926.962   27.011  1015.17   29.284  517.432   7.5425  541.483   7.8139 -24.05072 10.86030 
1 1 1  -13   37    3 o  592.088   6.4566  1213.61   26.459  1180.16   31.682  1290.73   48.102  583.819   7.8408  610.372   11.386 -26.55292 13.82498 
1 1 1  -13   37    4 o  227.539   6.8447  179.248   10.779  171.526   14.728  188.155   15.818  222.536   9.5626  233.069   9.8062 -10.53273 13.69689 
1 1 1  -13   37    5 o  383.266   6.4494  508.554   17.108  456.244   27.384  542.040   21.910  362.873   10.904  395.637   8.0013 -32.76385 13.52437 
1 1 1  -13   37    6 o  355.252   12.259  437.512   30.142  437.512   30.142   0.0000   0.0000  355.252   12.259  ?   ?  0.000000 12.25895 
1 1 1  -13   37    7 o  300.596   6.1369  312.854   12.768  317.165   17.908  308.397   18.208  302.586   8.5513  298.365   8.8172 4.221619 12.28284 
1 1 1  -13   37    8 o  444.010   5.5602  682.597   17.087  679.024   23.610  686.526   24.759  442.738   7.7051  445.157   8.0362 -2.418945 11.13329 
1 1 1  -13   37    9 o  412.142   6.3857  588.355   18.215  582.081   21.680  603.415   33.589  409.857   7.6426  416.939   11.640 -7.081726 13.92460 
1 1 1  -13   37   10 o  276.167   6.4596  264.256   12.347  271.146   16.462  255.395   18.668  279.618   8.5061  271.269   9.9431 8.349182 13.08506 
1 1 1  -13   37   11 o   47.054   19.438   2.2640   10.286  -7.2105   12.540   21.741   17.980   42.915   19.473   80.608   27.185 -37.69366 33.43963 
1 1 1  -13   37   12 o  181.318   8.3066  114.135   10.424  124.188   14.343  102.883   15.176  188.587   11.037  171.289   12.895 17.29744 16.97391 
1 1 1  -13   37   13 o  274.859   6.4365  262.059   12.244  287.495   17.347  236.802   17.285  287.604   8.7145  260.903   9.5725 26.70163 12.94512 
1 1 1  -13   37   14 o  139.680   10.412   68.404   9.9937   70.679   13.732   65.842   14.572  141.216   14.244  135.876   15.790 5.339462 21.26550 
1 1 1  -13   37   15 o   63.067   21.369   13.483   11.111   9.9106   12.176   31.259   27.162   59.125   22.104   94.311   33.339 -35.18575 40.00059 
1 1 1  -13   37   16 o  135.028   12.557   64.684   11.600   65.756   15.836   63.443   17.041  134.674   17.396  131.581   19.285 3.093002 25.97171 
1 1 1  -13   37   17 o   39.849   19.014 -17.7361   14.619   0.0000   0.0000 -17.7361   14.619  ?   ?    39.849   19.014 0.000000 19.01445 
1 1 1  -13   39    1 o  252.315   6.3819  220.394   11.145  202.201   14.896  243.527   16.797  241.632   8.9072  265.171   9.1521 -23.53966 12.77102 
1 1 1  -13   39    2 o  798.219   6.4927  2205.83   35.869  2126.37   48.899  2298.39   52.776  783.560   9.0167  814.613   9.3608 -31.05328 12.99712 
1 1 1  -13   39    3 o  800.032   6.5081  2215.91   36.036  2132.87   49.013  2313.61   53.165  784.741   9.0243  817.285   9.3988 -32.54425 13.02976 
1 1 1  -13   39    4 o  626.839   5.8065  1360.26   25.191  1348.34   35.180  1372.80   36.089  623.974   8.1460  629.600   8.2820 -5.626221 11.61680 
1 1 1  -13   39    5 o  642.985   6.8169  1431.52   30.337  1370.73   50.979  1464.85   37.748  628.835   11.713  650.332   8.3865 -21.49762 14.40599 
1 1 1  -13   39    6 o  357.660   6.6611  442.954   16.489  463.951   28.678  432.585   20.153  365.822   11.327  353.390   8.2397 12.43216 14.00665 
1 1 1  -13   39    7 o  207.587   8.8855  149.324   12.766  158.781   21.016  143.794   16.071  213.355   14.315  203.294   11.469 10.06123 18.34260 
1 1 1  -13   39    8 f  247.382   6.7373  211.986   11.535  206.752   15.419  218.640   17.384  244.209   9.1228  251.086   10.003 -6.877029 13.53844 
1 1 1  -13   39   10 o  263.591   6.6822  240.812   12.191  254.607   16.704  225.091   17.832  270.873   8.9099  254.587   10.120 16.28528 13.48341 
1 1 1  -13   39   11 o   46.264   19.738  -0.0201   11.153 -16.1415   19.299   8.0637   13.666   50.076   23.242   59.532   23.131 -9.455898 32.79070 
1 1 1  -13   39   12 o  107.439   12.882   40.855   9.3881   34.143   12.445   49.716   14.301   96.767   19.260  117.545   18.164 -20.77785 26.47376 
1 1 1  -13   39   13 o  277.997   6.4009  268.142   12.316  277.951   17.166  257.737   17.680  282.711   8.7730  272.140   9.3865 10.57114 12.84802 
1 1 1  -13   39   14 o  116.850   12.421   48.339   9.8916   40.171   13.038   59.414   15.183  104.874   18.646  128.392   17.545 -23.51767 25.60292 
1 1 1  -13   39   15 o   34.233   15.845  -7.0742   8.8778 -11.7153   11.404   0.0662   14.145   36.898   17.364   51.374   22.081 -14.47610 28.09067 
1 1 1  -13   39   16 o   51.428   19.501   7.1721   9.5511   8.3899   12.411   5.4036   14.956   57.085   22.082   57.367   23.540 -0.2814026 32.27613 
1 1 1  -13   39   17 o   76.080   21.054   22.024   11.462   17.224   17.868   25.380   14.941   72.335   26.829   81.286   24.517 -8.950668 36.34359 
1 1 1  -13   41    1 o  104.763   15.184   38.866   10.689   41.808   12.805   32.107   19.410  108.338   17.689   95.054   27.765 13.28368 32.92100 
1 1 1  -13   41    2 o  226.793   15.524  179.317   24.222   0.0000   0.0000  179.317   24.222  ?   ?   226.793   15.524 0.000000 15.52442 
1 1 1  -13   41    3 o   74.907   18.413   20.273   9.4785   16.860   12.719   24.535   14.215   70.658   22.826   82.916   23.625 -12.25814 32.85101 
1 1 1  -13   41    4 o  192.477   7.9978  128.313   10.654  137.044   14.690  118.626   15.475  198.561   10.729  184.565   12.183 13.99623 16.23417 
1 1 1  -13   41    5 o  541.722   5.5861  1016.02   20.944  1049.04   29.930  984.334   29.319  550.329   7.8578  533.080   7.9465 17.24872 11.17554 
1 1 1  -13   41    6 o  493.163   6.3716  842.246   21.748  833.694   26.473  860.000   38.141  490.566   7.7970  497.975   11.066 -7.409302 13.53739 
1 1 1  -13   41    7 o   66.207   21.213   14.955   11.001 -18.3951   17.354   37.364   14.225   45.691   21.476  101.603   20.926 -55.91249 29.98535 
1 1 1  -13   41    8 o  177.763   11.921  110.258   14.582  128.537   18.797   82.634   23.108  191.681   14.271  151.887   22.676 39.79425 26.79319 
1 1 1  -13   41    9 o  300.176   6.2326  312.217   12.949  298.389   17.245  330.090   19.606  293.292   8.4953  308.416   9.1847 -15.12405 12.51119 
1 1 1  -13   41   10 o  210.157   7.6075  153.195   11.065  190.678   14.726  104.584   16.770  234.347   9.0792  172.583   14.165 61.76422 16.82458 
1 1 1  -13   41   11 o  253.614   6.5711  223.053   11.534  224.717   15.409  220.934   17.394  254.351   8.7532  252.061   9.9707 2.289886 13.26771 
1 1 1  -13   41   12 o   65.916   18.851   15.728   9.0330   13.345   11.926   18.936   13.835   64.018   22.127   73.600   23.810 -9.581375 32.50401 
1 1 1  -13   41   13 o   57.653   19.298   11.195   9.0600   18.661   11.961   1.1439   13.878   71.947   21.988   52.208   22.137 19.73946 31.20126 
1 1 1  -13   41   14 o  159.811   8.9791   89.274   9.8913  101.458   13.045   72.793   15.172  169.958   11.151  142.739   15.612 27.21902 19.18563 
1 1 1  -13   41   15 o  185.336   8.3977  119.750   10.772  117.738   13.957  122.714   16.940  182.955   11.075  186.161   13.234 -3.206146 17.25661 
1 1 1  -13   41   16 o  111.218   16.700   45.204   12.458   52.927   21.233   41.150   15.384  116.346   26.905  104.121   22.035 12.22464 34.77652 
1 1 1  -13   43    1 o  179.151   9.7780  111.541   12.078   99.188   13.950  148.537   24.141  168.710   12.025  206.074   17.080 -37.36406 20.88861 
1 1 1  -13   43    4 o  695.643   7.0665  1676.01   34.023  1612.68   57.446  1710.23   42.225  681.821   12.173  702.560   8.6837 -20.73926 14.95325 
1 1 1  -13   43    5 o  166.902   8.8853   96.816   10.227   97.545   13.955   95.970   15.031  167.220   12.141  165.734   13.213 1.486008 17.94403 
1 1 1  -13   43    6 o  537.912   7.8346  1002.70   29.168  1002.70   29.168   0.0000   0.0000  537.912   7.8346  ?   ?  0.000000 7.834565 
1 1 1  -13   43    7 o  499.776   5.5411  865.087   19.167  861.593   26.625  868.846   27.613  498.571   7.7160  500.638   7.9691 -2.067261 11.09253 
1 1 1  -13   43    8 o   90.169   18.035   29.422   10.862   48.717   16.682   15.220   14.311  115.986   21.575   69.403   24.225 46.58270 32.43979 
1 1 1  -13   43    9 o  209.548   8.6314  152.394   12.518  163.024   19.218  144.559   16.498  215.969   12.916  203.504   11.764 12.46449 17.47044 
1 1 1  -13   43   10 o  403.919   6.7530  565.789   18.879  530.244   30.908  586.940   23.843  390.255   11.443  411.166   8.3785 -20.91092 14.18264 
1 1 1  -13   43   11 o  175.921   8.3905  107.517   10.216  115.956   13.617   96.648   15.452  182.141   10.851  165.732   13.591 16.40825 17.39091 
1 1 1  -13   43   12 o  204.639   10.336  146.311   14.592  146.311   14.592   0.0000   0.0000  204.639   10.336  ?   ?  0.000000 10.33591 
1 1 1  -13   43   13 o  109.605   15.118   43.078   11.163   45.708   12.329   31.112   26.299  112.656   16.285   94.124   32.840 18.53175 36.65622 
1 1 1  -13   43   14 o  140.186   10.223   69.042   9.8503   67.525   12.859   71.197   15.325  137.820   13.660  140.879   16.001 -3.058182 21.03868 
1 1 1  -13   43   15 o  160.895   9.0562   90.712   10.044   85.768   13.052   97.892   15.728  155.640   12.214  165.829   13.830 -10.18938 18.45128 
1 1 1  -13   43   16 o  115.947   17.937   49.635   13.929   49.635   13.929   0.0000   0.0000  115.947   17.937  ?   ?  0.000000 17.93659 
1 1 1  -13   45    1 o  496.603   5.5066  853.867   18.926  832.420   25.990  878.083   27.617  490.209   7.6603  503.457   7.9256 -13.24814 11.02244 
1 1 1  -13   45    2 o  230.691   7.8705  184.369   12.566  181.395   15.241  190.683   22.209  228.761   9.6261  233.939   13.777 -5.178741 16.80702 
1 1 1  -13   45    3 f  511.867   7.8047  907.760   27.650  907.760   27.650   0.0000   0.0000  511.867   7.8047  ?   ?  0.000000 7.804704 
1 1 1  -13   45    4 o  331.935   5.8132  381.563   13.355  374.546   18.320  389.522   19.510  328.759   8.0514  335.246   8.4084 -6.487305 11.64153 
1 1 1  -13   45    5 o  421.362   5.5293  614.869   16.125  618.577   22.489  610.945   23.133  422.483   7.6911  419.846   7.9609 2.636047 11.06925 
1 1 1  -13   45    6 o  482.420   5.5234  806.074   18.442  801.138   25.483  811.502   26.724  480.749   7.6587  483.814   7.9807 -3.065125 11.06106 
1 1 1  -13   45    7 o  170.240   8.8700  100.825   10.415  111.174   13.850   87.359   15.799  178.512   11.268  157.661   14.646 20.85120 18.47910 
1 1 1  -13   45    8 o  211.032   11.203  155.290   16.304   0.0000   0.0000  155.290   16.304  ?   ?   211.032   11.203 0.000000 11.20284 
1 1 1  -13   45    9 f  290.319   9.1383  292.776   18.362   0.0000   0.0000  292.776   18.362  ?   ?   290.319   9.1383 0.000000 9.138271 
1 1 1  -13   45   10 o  197.843   8.8627  136.020   12.136  145.073   18.396  129.044   16.148  203.403   13.137  191.965   12.218 11.43805 17.94053 
1 1 1  -13   45   11 o  201.489   7.6224  141.005   10.630  139.050   14.458  143.304   15.682  199.489   10.508  202.388   11.240 -2.898605 15.38695 
1 1 1  -13   45   12 o   66.574   19.084   16.142   9.2472   18.417   11.919   12.702   14.656   71.493   21.967   65.756   24.316 5.737411 32.76865 
1 1 1  -13   45   13 o  129.984   10.639   59.440   9.4873   61.973   12.703   56.245   14.267  131.942   14.131  124.852   16.948 7.090141 22.06610 
1 1 1  -13   45   14 o   99.540   14.020   35.642   9.3913   32.335   12.239   40.377   14.645   93.179   19.600  103.916   21.083 -10.73663 28.78589 
1 1 1  -13   45   15 o  212.800   10.313  158.852   15.190  158.852   15.190   0.0000   0.0000  212.800   10.313  ?   ?  0.000000 10.31339 
1 1 1  -13   47    1 o  139.310   10.483   67.704   10.033   57.663   13.483   80.161   15.019  127.810   15.564  151.154   14.536 -23.34354 21.29607 
1 1 1  -13   47    2 o  264.642   6.4204  242.595   11.760  239.678   16.066  245.963   17.260  262.934   8.8282  266.329   9.3639 -3.395020 12.86933 
1 1 1  -13   47    3 o  154.941   10.980   83.742   11.698   87.872   14.602   76.341   19.547  158.430   13.443  146.527   19.780 11.90297 23.91617 
1 1 1  -13   47    4 o  546.731   7.8451  1036.16   29.686  1036.16   29.686   0.0000   0.0000  546.731   7.8451  ?   ?  0.000000 7.845096 
1 1 1  -13   47    5 f   59.117   19.366   11.752   9.1391   22.390   12.413  -0.8393   13.505   78.718   21.956   50.213   21.578 28.50572 30.78440 
1 1 1  -13   47    6 o  105.271   15.169   39.430   10.733   43.157   12.606   29.610   20.464  109.850   17.141   91.594   28.887 18.25636 33.58978 
1 1 1  -13   47    7 o  103.040   13.672   37.645   9.5097   32.302   12.871   44.067   14.112   94.095   20.356  110.536   19.139 -16.44029 27.94030 
1 1 1  -13   47    8 o  423.143   7.7875  621.314   22.807  621.314   22.807   0.0000   0.0000  423.143   7.7875  ?   ?  0.000000 7.787550 
1 1 1  -13   47    9 o  222.538   7.2698  171.853   11.197  166.390   15.135  178.457   16.641  218.704   9.9992  226.420   10.619 -7.716476 14.58610 
1 1 1  -13   47   10 o   78.735   20.117   22.809   11.003   21.029   16.205   24.331   14.988   77.894   25.801   81.794   24.529 -3.900711 35.59970 
1 1 1  -13   47   11 o   76.993   19.922   21.874   10.697   11.941   16.044   29.823   14.353   66.501   25.260   89.485   23.037 -22.98404 34.18787 
1 1 1  -13   47   12 o   76.902   20.362   21.928   11.008   20.874   12.594   25.341   22.660   75.438   22.454   86.173   30.452 -10.73505 37.83549 
1 1 1  -13   47   13 o   36.609   16.556  -4.5509   8.9757  -2.5070   11.802  -7.3552   13.824   44.689   19.672   44.839   20.384 -0.1500397 28.32826 
1 1 1  -13   47   14 o  163.824   10.634   94.494   11.992   88.976   20.330   97.438   14.851  155.959   19.242  165.658   13.059 -9.698868 23.25505 
1 1 1  -13   47   15 o   81.956   18.195   25.225   10.052   41.424   13.442   4.6747   15.140  105.239   19.161   56.477   23.478 48.76198 30.30394 
1 1 1  -13   49    1 o  375.842   5.5749  489.266   14.502  490.379   20.159  488.073   20.877  376.113   7.7440  375.203   8.0395 0.9104614 11.16254 
1 1 1  -13   49    2 o  383.152   6.6269  508.691   17.573  477.902   30.165  524.510   21.622  370.858   11.752  388.945   8.0320 -18.08698 14.23468 
1 1 1  -13   49    3 o  245.090   6.6126  208.160   11.217  228.701   15.754  187.039   15.975  256.759   8.8652  232.123   9.9434 24.63530 13.32150 
1 1 1  -13   49    4 o  409.563   6.3398  581.272   17.971  569.969   21.646  606.341   32.238  405.430   7.7142  417.709   11.151 -12.27908 13.55934 
1 1 1  -13   49    5 o  394.513   5.5638  539.222   15.192  512.251   20.617  571.260   22.471  384.313   7.7512  405.816   8.0005 -21.50296 11.13952 
1 1 1  -13   49    6 o  277.922   6.2300  267.723   11.984  253.065   16.111  285.876   17.929  270.010   8.6211  286.938   9.0281 -16.92853 12.48319 
1 1 1  -13   49    7 o  475.767   5.5988  784.451   18.436  767.419   25.297  803.743   26.924  470.258   7.7725  481.203   8.0841 -10.94565 11.21446 
1 1 1  -13   49    8 o  129.141   22.919   60.927   19.735   60.927   19.735   0.0000   0.0000  129.141   22.919  ?   ?  0.000000 22.91892 
1 1 1  -13   49    9 o  175.614   8.5471  107.194   10.389  113.142   14.261  100.469   15.164  179.739   11.524  169.034   13.063 10.70508 17.42016 
1 1 1  -13   49   10 o  185.212   8.1843  119.262   10.491  118.589   14.123  120.092   15.671  183.997   11.143  184.919   12.315 -0.9217987 16.60783 
1 1 1  -13   49   11 o   52.560   21.648   3.6344   12.706  -7.5317   15.731   24.595   21.552   48.474   21.920   84.835   29.722 -36.36074 36.93103 
1 1 1  -13   49   12 o  139.378   11.544   68.518   11.036   70.293   17.008   67.227   14.503  139.344   18.060  137.001   15.572 2.342758 23.84648 
1 1 1  -13   49   13 o   39.915   17.404  -1.2701   9.0458  -5.4192   12.398   3.4534   13.228   43.364   19.548   52.862   21.958 -9.498203 29.39863 
1 1 1  -13   49   14 o  114.363   12.175   46.640   9.4889   51.702   13.328   41.437   13.513  119.041   16.631  105.439   19.225 13.60164 25.42014 
1 1 1  -13   51    1 o   52.644   19.849   7.1326   9.8598  -5.0341   15.044   16.294   13.054   49.575   21.996   69.693   23.160 -20.11828 31.94132 
1 1 1  -13   51    2 o  208.741   7.2012  151.070   10.404  152.111   14.221  149.872   15.260  209.290   9.8176  207.408   10.667 1.882141 14.49700 
1 1 1  -13   51    3 o  257.982   6.3714  230.673   11.376  222.776   15.401  240.156   16.878  253.352   8.7831  263.005   9.2719 -9.653000 12.77145 
1 1 1  -13   51    4 o  391.987   5.5633  532.399   15.093  539.686   20.933  524.510   21.782  394.438   7.6680  388.799   8.0945 5.638397 11.14986 
1 1 1  -13   51    5 o  373.344   7.7112  483.618   19.925  483.618   19.925   0.0000   0.0000  373.344   7.7112  ?   ?  0.000000 7.711205 
1 1 1  -13   51    6 o  330.545   5.8852  378.738   13.464  361.629   18.268  399.085   19.921  322.741   8.1780  339.000   8.4906 -16.25931 11.78859 
1 1 1  -13   51    7 o  151.522   9.5691   80.156   9.9836   85.800   13.219   72.662   15.232  156.348   12.316  143.147   15.628 13.20044 19.89772 
1 1 1  -13   51    8 o  300.957   6.0517  314.138   12.605  313.669   17.214  314.681   18.509  300.442   8.2786  300.830   8.8898 -0.3884277 12.14760 
1 1 1  -13   51    9 o   62.879   21.147   13.332   10.880   15.810   12.588   6.0098   21.636   68.037   22.747   67.857   28.125 0.1801453 36.17233 
1 1 1  -13   51   10 o  223.958   7.2056  174.284   11.169  177.975   15.375  170.160   16.252  225.919   9.8330  220.760   10.637 5.158585 14.48556 
1 1 1  -13   51   11 o   53.464   19.488   8.5408   9.3619   12.815   12.504   3.0889   14.122   63.352   22.596   54.208   22.616 9.143127 31.96997 
1 1 1  -13   51   12 o  159.440   10.654   89.409   11.689  104.585   17.873   78.067   15.452  171.125   15.251  147.634   15.346 23.49040 21.63557 
1 1 1  -13   51   13 o  174.459   12.799  108.016   15.346   0.0000   0.0000  108.016   15.346  ?   ?   174.459   12.799 0.000000 12.79911 
1 1 1  -13   51   14 o  137.630   10.837   67.113   10.239   65.366   14.235   68.985   14.739  134.161   15.623  137.822   15.733 -3.660919 22.17272 
1 1 1  -13   53    1 o   64.082   20.838   14.025   10.588   24.961   19.273   9.2976   12.672   85.164   28.134   59.626   22.497 25.53841 36.02258 
1 1 1  -13   53    2 o  147.117   10.573   75.647   10.694   74.829   16.493   76.240   14.046  145.245   16.711  147.160   13.958 -1.915314 21.77362 
1 1 1  -13   53    3 o   75.345   17.796   20.715   9.1319   20.605   12.273   20.851   13.668   75.585   22.078   76.553   23.524 -0.9678040 32.26171 
1 1 1  -13   53    4 f  275.128   7.2327  262.611   13.773  248.565   16.084  301.220   26.666  267.520   8.6867  293.814   13.113 -26.29321 15.72938 
1 1 1  -13   53    5 o  179.427   8.1321  111.793   10.099  114.620   13.586  108.302   15.097  181.115   10.889  175.763   12.492 5.352463 16.57139 
1 1 1  -13   53    6 o   86.695   17.115   27.328   9.9050   25.791   11.786   31.024   18.276   83.711   20.505   91.860   26.974 -8.149460 33.88276 
1 1 1  -13   53    7 o  119.697   14.051   50.854   11.419   26.098   18.705   65.563   14.418   85.598   27.685  135.754   15.631 -50.15565 31.79231 
1 1 1  -13   53    8 o  283.270   6.2011  278.430   12.157  270.832   16.475  287.515   18.015  279.044   8.5305  287.418   9.0559 -8.373444 12.44104 
1 1 1  -13   53    9 o  131.890   10.762   61.139   9.7383   58.286   13.065   64.706   14.608  127.807   15.059  134.497   16.007 -6.690125 21.97741 
1 1 1  -13   53   10 o  175.276   9.9279  107.589   11.994   98.401   14.037  132.439   23.086  167.080   12.224  192.257   17.542 -25.17757 21.38133 
1 1 1  -13   53   11 o  173.490   8.3576  104.907   10.035  102.848   13.425  107.514   15.108  170.887   11.416  174.411   12.601 -3.524689 17.00311 
1 1 1  -13   53   12 o   82.789   18.188   25.540   10.137   8.3418   13.984   44.585   14.716   59.076   23.269  109.368   20.185 -50.29159 30.80346 
1 1 1  -13   53   13 o  124.029   14.634   55.546   12.320   71.463   21.733   48.008   14.956  136.723   23.833  113.260   19.800 23.46268 30.98450 
1 1 1  -13   55    1 o  247.502   6.4546  212.431   11.057  215.285   15.288  209.302   16.010  248.925   8.8736  245.379   9.4272 3.545715 12.94651 
1 1 1  -13   55    2 o  211.374   7.0699  155.014   10.343  153.095   14.340  157.095   14.932  209.804   9.8752  212.496   10.153 -2.692673 14.16353 
1 1 1  -13   55    3 f   36.227   16.664  -7.0932   9.6043   16.298   14.309 -26.2703   12.956   70.413   24.243   33.157   16.291 37.25629 29.20844 
1 1 1  -13   55    4 o  373.315   5.6091  483.140   14.493  509.104   20.382  456.588   20.611  382.915   7.6906  362.543   8.2142 20.37234 11.25253 
1 1 1  -13   55    5 o  119.635   13.059   50.617   10.638   57.854   16.523   45.494   13.902  126.476   19.502  112.096   18.569 14.37935 26.92842 
1 1 1  -13   55    6 o  187.499   9.3175  122.355   12.091  121.366   20.005  122.925   15.177  185.125   15.763  187.258   11.770 -2.133667 19.67303 
1 1 1  -13   55    7 o  208.750   7.8400  151.470   11.327  149.483   13.366  156.537   21.338  207.186   9.3208  210.543   14.736 -3.357529 17.43666 
1 1 1  -13   55    8 f   41.719   17.707   0.4947   8.8921   8.0480   11.649 -10.0533   13.765   56.080   21.470   43.054   19.858 13.02607 29.24566 
1 1 1  -13   55    9 f  137.689   10.508   66.633   9.9377   78.217   13.387   52.415   14.831  148.633   13.150  119.983   18.451 28.65030 22.65731 
1 1 1  -13   55   10 o  152.764   9.4324   81.793   9.9241   86.245   13.170   75.942   15.096  156.212   12.280  145.703   15.194 10.50899 19.53575 
1 1 1  -13   55   11 o   55.335   21.043   8.3546   11.143   10.039   18.230   7.3500   14.078   66.059   26.392   58.149   23.206 7.909702 35.14333 
1 1 1  -13   55   12 o   89.749   16.292   29.687   9.7473   27.729   13.361   31.916   14.252   85.083   22.386   91.166   22.680 -6.082413 31.86746 
1 1 1  -13   57    1 o  184.282   7.8975  117.957   10.073  123.527   13.959  111.906   14.550  187.982   10.774  178.700   11.831 9.281143 16.00139 
1 1 1  -13   57    2 o  126.401   10.688   56.063   9.2623   50.921   12.522   62.275   13.764  119.479   15.509  132.365   15.306 -12.88619 21.78991 
1 1 1  -13   57    3 o  256.422   7.3128  228.307   12.978  218.374   15.291  253.902   24.545  250.591   8.8163  269.402   13.164 -18.81088 15.84339 
1 1 1  -13   57    4 o  149.324   10.646   78.127   10.931   35.790   16.702  109.846   14.457   97.885   24.664  176.951   11.873 -79.06538 27.37322 
1 1 1  -13   57    5 o  168.576   8.6127   99.111   10.015  112.321   13.353   82.121   15.143  179.100   10.823  152.250   14.548 26.85063 18.13188 
1 1 1  -13   57    6 o  169.817   8.3698  100.329   9.8372  122.397   13.507   75.397   14.356  186.998   10.478  145.776   14.418 41.22229 17.82321 
1 1 1  -13   57    7 o  124.767   10.481   54.736   8.9672   62.146   11.827   44.718   13.753  132.451   13.072  110.707   18.609 21.74432 22.74148 
1 1 1  -13   57    8 o  194.762   8.3529  132.111   11.260  127.206   13.261  144.781   21.315  190.575   10.090  201.809   15.376 -11.23392 18.39067 
1 1 1  -13   57    9 o  133.414   10.812   62.727   9.8981   70.525   13.293   53.025   14.828  140.748   13.825  120.491   18.361 20.25700 22.98368 
1 1 1  -13   57   10 o   45.946   18.819   3.1129   9.5366   2.9005   12.833   3.3749   14.253   51.580   21.543   54.343   22.701 -2.763142 31.29548 
1 1 1  -13   57   11 o   50.458   21.783   0.0771   13.886   1.9273   17.680  -2.9020   22.434   57.869   24.774   60.900   26.949 -3.030476 36.60600 
1 1 1  -13   59    1 o  118.554   11.521   49.538   9.3342   56.715   12.513   40.536   14.015  126.284   14.585  105.155   19.987 21.12829 24.74317 
1 1 1  -13   59    2 o  160.430   8.6515   89.797   9.5707   90.717   12.829   88.644   14.372  160.733   11.610  158.536   13.219 2.197388 17.59360 
1 1 1  -13   59    3 o  137.149   9.8809   65.892   9.3164   69.715   12.476   61.073   14.008  140.492   12.977  130.756   15.799 9.735870 20.44523 
1 1 1  -13   59    4 o  226.136   7.0079  177.634   10.968  181.352   15.000  173.364   16.079  228.129   9.5004  222.892   10.423 5.237473 14.10272 
1 1 1  -13   59    5 o  164.523   10.342   94.853   11.717   88.098   19.566   98.630   14.630  156.406   18.428  167.249   12.734 -10.84322 22.40006 
1 1 1  -13   59    6 o  156.920   8.8846   86.073   9.6097   89.321   12.942   82.081   14.347  159.258   11.826  152.153   13.773 7.105545 18.15326 
1 1 1  -13   59    7 o  133.545   10.001   62.646   9.1765   67.338   12.104   56.304   14.072  137.844   12.835  124.885   16.699 12.95844 21.06143 
1 1 1  -13   59    8 o  133.210   11.883   62.789   10.841   70.985   12.458   37.224   22.002  141.443   12.866   98.259   29.777 43.18449 32.43739 
1 1 1  -13   59    9 o   69.309   20.750   17.749   10.732   24.705   12.790   1.2015   19.726   80.841   22.187   60.472   26.035 20.36914 34.20617 
1 1 1  -13   59   10 o   78.751   17.879   23.205   9.5220   4.5236   12.766   46.635   14.296   52.934   21.738  112.018   19.127 -59.08375 28.95450 
1 1 1  -13   61    1 o   49.569   19.188   5.8367   9.3771   12.810   11.279  -9.7707   16.874   62.280   21.519   49.033   22.380 13.24687 31.04727 
1 1 1  -13   61    2 o  149.849   9.0637   78.514   9.3559   83.042   12.322   72.351   14.377  153.615   11.677  142.586   14.784 11.02892 18.83898 
1 1 1  -13   61    3 o  179.346   9.2887  112.423   11.490   89.902   17.524  129.407   15.218  158.648   16.186  191.962   11.508 -33.31406 19.86013 
1 1 1  -13   61    4 o  104.318   15.575   39.258   10.900   73.317   18.941   22.390   13.329  141.864   19.833   77.865   23.082 63.99887 30.43255 
1 1 1  -13   61    5 o   38.301   17.440  -5.9081   10.171   6.0195   16.103 -13.8240   13.119   59.972   24.497   39.292   18.531 20.67949 30.71627 
1 1 1  -13   61    6 o  277.955   6.2022  268.399   11.932  263.092   16.267  274.578   17.553  274.713   8.5558  280.525   9.0410 -5.812317 12.44753 
1 1 1  -13   61    7 o   47.124   18.506   4.9612   8.8205   1.3057   11.990   9.2735   13.022   48.564   20.583   59.065   22.680 -10.50009 30.62787 
1 1 1  -13   61    8 o  170.298   8.8403  101.579   10.384  123.496   14.101   75.612   15.348  187.251   10.928  144.950   15.542 42.30077 18.99897 
1 1 1  -13   61    9 o  158.941   10.444   89.097   11.425   84.889   13.782   98.341   20.429  154.321   13.026  163.964   18.315 -9.642517 22.47421 
1 1 1  -13   63    1 o   90.694   16.702   30.067   10.098   30.675   11.550   28.093   20.801   91.053   18.945   87.829   29.238 3.223694 34.83893 
1 1 1  -13   63    2 o  106.563   12.746   40.448   9.2141   39.911   11.923   41.244   14.518  104.711   17.038  105.399   20.641 -0.6882706 26.76417 
1 1 1  -13   63    3 o  267.345   7.0463  248.551   13.038  238.558   15.541  272.293   23.956  261.608   8.5835  278.392   12.433 -16.78430 15.10822 
1 1 1  -13   63    5 o  207.481   7.2950  149.835   10.476  149.384   14.575  150.317   15.067  206.604   10.193  206.904   10.557 -0.3009949 14.67427 
1 1 1  -13   63    6 o  167.518   10.200   98.643   11.770  121.415   19.921   86.432   14.588  184.026   15.793  155.786   13.668 28.23993 20.88639 
1 1 1  -13   63    7 o  107.106   13.001   41.110   9.4402   39.432   12.490   43.347   14.418  103.254   18.139  107.667   20.087 -4.412155 27.06504 
1 1 1  -13   63    8 o  120.341   11.582   51.522   9.5272   54.283   12.972   48.288   14.037  122.210   15.700  114.159   18.391 8.050697 24.18116 
1 1 1  -13   65    1 o  163.304   10.787   93.849   12.124   76.732   19.401  104.817   15.529  144.641   19.907  171.949   13.149 -27.30737 23.85752 
1 1 1  -13   65    2 o  133.776   10.679   63.097   9.8049   70.855   13.036   52.988   14.879  141.061   13.518  120.257   18.467 20.80384 22.88572 
1 1 1  -13   65    3 o  154.960   10.926   84.633   11.643  101.805   19.584   75.245   14.481  167.955   17.085  145.009   14.628 22.94524 22.49169 
1 1 1  -13   65    4 o  145.822   9.5863   74.707   9.6210   77.287   13.081   71.667   14.200  147.435   12.951  141.376   14.728 6.059052 19.61249 
1 1 1  -13   65    5 o  130.891   10.787   60.558   9.6848   65.213   13.379   55.435   14.037  134.735   14.580  123.323   16.889 11.41248 22.31227 
1 1 1  -13   65    6 o  147.840   10.952   77.292   11.126   95.365   13.275   34.615   20.399  164.039   11.770   93.816   28.722 70.22298 31.04043 
1 1 1  -13   67    1 o  135.782   16.020   66.721   14.765   55.415   18.908   84.390   23.637  120.611   23.495  149.440   23.639 -28.82854 33.32925 
1 1 1  -13   67    2 o  125.371   11.654   55.812   9.9963   52.416   13.499   59.937   14.875  119.864   16.727  128.129   17.209 -8.265076 23.99914 
1 1 1  -13   67    3 o   39.314   17.691  -4.2138   10.101   0.0684   11.986 -14.7122   18.767   47.072   20.280   48.656   22.695 -1.583420 30.43556 
1 1 1  -13   67    4 o  157.251   9.4598   86.971   10.248   77.844   13.786   98.243   15.320  147.440   13.665  165.845   13.463 -18.40488 19.18306 
1 1 1  -12    0    1 o  158.747   7.9457   87.869   8.6801   87.869   8.6801   87.869   8.6801  158.747   7.9457  158.747   7.9457 0.000000 0.000000 
1 1 1  -12    0    2 o  739.400   8.3284  1892.84   42.608  1892.84   42.608  1892.84   42.608  739.400   8.3284  739.400   8.3284 0.000000 0.000000 
1 1 1  -12    0    3 o  493.290   6.8786  842.641   23.474  842.641   23.474  842.641   23.474  493.290   6.8786  493.290   6.8786 0.000000 0.000000 
1 1 1  -12    0    4 o   30.136   19.173   0.8032   8.7706   0.8032   8.7706   0.8032   8.7706   30.136   19.173   30.136   19.173 0.000000 0.000000 
1 1 1  -12    0    5 o  700.062   8.2322  1697.14   39.874  1697.14   39.874  1697.14   39.874  700.062   8.2322  700.062   8.2322 0.000000 0.000000 
1 1 1  -12    0    6 o  552.252   10.455  1057.07   39.930  1057.07   39.930  1057.07   39.930  552.252   10.455  552.252   10.455 0.000000 0.000000 
1 1 1  -12    0    7 o  354.867   7.5174  436.469   18.445  436.469   18.445  436.469   18.445  354.867   7.5174  354.867   7.5174 0.000000 0.000000 
1 1 1  -12    0    8 o   97.663   22.459   37.832   13.217   37.832   13.217   37.832   13.217   97.663   22.459   97.663   22.459 0.000000 0.000000 
1 1 1  -12    0   10 o  1038.81   10.889  3736.95   78.273  3736.95   78.273  3736.95   78.273  1038.81   10.889  1038.81   10.889 0.000000 0.000000 
1 1 1  -12    0   11 o  197.070   10.563  135.608   14.313  135.608   14.313  135.608   14.313  197.070   10.563  197.070   10.563 0.000000 0.000000 
1 1 1  -12    0   13 o  506.225   8.1786  887.987   28.638  887.987   28.638  887.987   28.638  506.225   8.1786  506.225   8.1786 0.000000 0.000000 
1 1 1  -12    0   15 o  198.917   12.357  138.964   16.862  138.964   16.862  138.964   16.862  198.917   12.357  198.917   12.357 0.000000 0.000000 
1 1 1  -12    0   17 o   96.866   25.228   39.275   14.615   39.275   14.615   39.275   14.615   96.866   25.228   96.866   25.228 0.000000 0.000000 
1 1 1  -12    0   18 o   68.822   29.999   24.867   14.834   24.867   14.834   24.867   14.834   68.822   29.999   68.822   29.999 0.000000 0.000000 
1 1 1  -12    0   19 o  142.461   16.612   75.452   15.797   75.452   15.797   75.452   15.797  142.461   16.612  142.461   16.612 0.000000 0.000000 
1 1 1  -12    0   20 o   41.152   28.833 -18.8195   30.920 -18.8195   30.920 -18.8195   30.920   41.152   28.833   41.152   28.833 0.000000 0.000000 
1 1 1  -12    0   21 o  105.591   25.263   50.403   16.016   50.403   16.016   50.403   16.016  105.591   25.263  105.591   25.263 0.000000 0.000000 
1 1 1  -12    2    1 f  937.567   6.9402  3042.44   45.035  2969.37   62.252  3122.67   65.230  926.168   9.7116  949.769   9.9232 -23.60077 13.88469 
1 1 1  -12    2    2 o  522.109   4.9035  943.429   17.719  933.509   24.884  953.632   25.237  519.333   6.9230  524.901   6.9468 -5.567383 9.807430 
1 1 1  -12    2    3 o  811.371   6.2960  2278.60   35.356  2242.61   49.365  2316.50   50.662  804.864   8.8617  818.012   8.9485 -13.14819 12.59387 
1 1 1  -12    2    4 o   92.273   10.345   29.856   6.4930   29.870   9.0684   29.841   9.3009   91.681   14.795   91.574   15.209 0.1066971 21.21780 
1 1 1  -12    2    5 o  606.543   6.2497  1273.61   26.236  1345.37   46.776  1240.67   31.690  623.158   10.845  598.592   7.6492 24.56567 13.27158 
1 1 1  -12    2    6 o  203.684   7.2525  143.649   10.224  153.926   12.760  125.219   17.088  210.818   8.7452  189.601   13.102 21.21698 15.75253 
1 1 1  -12    2    7 o  281.584   5.6833  274.460   11.076  284.169   15.688  264.809   15.640  286.486   7.9118  276.550   8.1713 9.935425 11.37395 
1 1 1  -12    2    8 o  295.788   6.3120  302.844   12.922  270.878   22.354  318.885   15.835  279.657   11.549  303.503   7.5386 -23.84625 13.79195 
1 1 1  -12    2    9 o  157.150   16.937   86.585   18.130   86.585   18.130   0.0000   0.0000  157.150   16.937  ?   ?  0.000000 16.93666 
1 1 1  -12    2   10 o  465.187   10.117  749.268   32.574  749.268   32.574   0.0000   0.0000  465.187   10.117  ?   ?  0.000000 10.11740 
1 1 1  -12    2   11 o  814.330   6.5612  2295.45   36.980  2264.95   51.550  2327.77   53.078  808.795   9.2090  819.928   9.3532 -11.13263 13.12586 
1 1 1  -12    2   12 o  873.904   6.9325  2643.93   41.931  2657.04   59.531  2631.01   59.070  875.891   9.8200  871.592   9.7921 4.298706 13.86787 
1 1 1  -12    2   13 o  396.412   13.415  544.878   36.807   0.0000   0.0000  544.878   36.807  ?   ?   396.412   13.415 0.000000 13.41550 
1 1 1  -12    2   14 o  341.818   7.5776  404.692   17.927  425.122   34.059  396.863   21.084  349.958   14.062  338.433   9.0012 11.52487 16.69584 
1 1 1  -12    2   15 o  227.611   7.8138  179.549   12.309  192.846   17.607  166.836   17.216  235.729   10.792  218.926   11.401 16.80318 15.69875 
1 1 1  -12    2   16 o   37.940   17.489  -8.2520   10.653   5.6521   14.137 -26.5219   16.206   57.664   23.169   39.595   19.176 18.06960 30.07595 
1 1 1  -12    2   17 o   51.716   20.266   5.7174   10.559  -6.2000   15.564   15.880   14.372   49.503   22.142   70.009   24.286 -20.50597 32.86412 
1 1 1  -12    2   18 o  164.324   9.9394   94.382   11.251   98.695   15.691   89.817   16.141  167.326   13.668  159.312   14.808 8.013275 20.15219 
1 1 1  -12    2   19 o  192.977   9.1952  129.803   12.281  154.698   17.532  105.818   17.209  209.779   12.127  172.736   14.530 37.04294 18.92538 
1 1 1  -12    2   20 o   29.713   14.612 -21.2168   10.495 -47.1544   14.991   3.7198   14.699   30.278   15.268   55.444   23.098 -25.16573 27.68784 
1 1 1  -12    2   21 o  107.542   15.612   42.214   11.281   52.962   15.646   30.576   16.281  119.059   19.674   88.545   25.303 30.51428 32.05159 
1 1 1  -12    4    1 o  1590.74   10.892  8760.51  119.915  8728.29  168.936  8793.23  170.242  1587.48   15.376  1593.37   15.437 -5.889160 21.78813 
1 1 1  -12    4    2 o  604.244   5.2438  1263.62   21.930  1227.71   30.429  1302.44   31.634  595.563   7.3820  613.420   7.4511 -17.85760 10.48871 
1 1 1  -12    4    3 o  755.414   6.0025  1975.13   31.383  1915.40   43.241  2041.61   45.619  743.838   8.3992  767.949   8.5829 -24.11145 12.00882 
1 1 1  -12    4    4 o  852.403   6.5493  2515.20   38.638  2537.13   55.150  2494.05   54.150  855.976   9.3090  848.683   9.2188 7.293274 13.10132 
1 1 1  -12    4    5 o  827.045   7.4192  2368.34   42.468  2386.34   73.526  2359.33   52.024  829.731   12.803  825.356   9.1072 4.375244 15.71203 
1 1 1  -12    4    6 o  734.095   6.0574  1865.60   30.776  1830.34   42.797  1903.36   44.289  726.990   8.5057  741.340   8.6318 -14.35040 12.11839 
1 1 1  -12    4    7 o  178.927   8.6675  110.856   10.734  110.502   13.322  111.512   18.120  178.281   10.849  178.745   14.780 -0.4634247 18.33398 
1 1 1  -12    4    8 o  768.866   7.2991  2046.43   38.842  1973.17   64.680  2087.75   48.576  754.739   12.382  776.519   9.0384 -21.78064 15.33006 
1 1 1  -12    4    9 o  936.120   10.164  3034.24   65.855  3051.71   92.888  3016.58   93.381  938.557   14.300  933.129   14.459 5.427856 20.33574 
1 1 1  -12    4   10 o  910.579   7.0323  2870.09   44.319  2821.71   61.572  2922.11   63.843  902.757   9.8545  918.668   10.041 -15.91071 14.06892 
1 1 1  -12    4   12 o  765.262   6.4167  2027.31   33.986  2020.83   47.627  2034.02   48.512  763.910   9.0080  766.390   9.1458 -2.479797 12.83705 
1 1 1  -12    4   15 o  301.167   9.5612  314.592   19.929   0.0000   0.0000  314.592   19.929  ?   ?   301.167   9.5612 0.000000 9.561161 
1 1 1  -12    4   16 o  221.480   7.8125  170.128   11.976  178.335   16.824  161.697   17.051  226.538   10.730  215.346   11.482 11.19235 15.71513 
1 1 1  -12    4   17 o  118.819   13.330   49.887   10.773   44.842   15.311   54.833   15.161  110.973   20.696  123.596   18.274 -12.62254 27.60899 
1 1 1  -12    4   18 o  215.807   8.0341  161.852   12.000  156.144   16.845  167.732   17.098  211.181   11.569  218.952   11.322 -7.770355 16.18736 
1 1 1  -12    4   19 o   85.075   22.734   27.071   13.642   22.596   15.105   46.863   31.768   78.818   24.814  110.568   36.100 -31.74966 43.80564 
1 1 1  -12    4   20 o   76.480   19.653   21.892   10.459   11.925   14.462   32.821   15.144   63.930   24.052   92.824   23.538 -28.89413 33.65345 
1 1 1  -12    4   21 o  137.105   14.581   67.778   13.624   36.361   26.052   79.604   15.984   95.868   32.721  148.193   15.829 -52.32502 36.34827 
1 1 1  -12    6    1 o  882.518   6.6408  2695.67   40.562  2663.41   56.749  2729.37   57.998  877.149   9.3477  887.940   9.4374 -10.79126 13.28325 
1 1 1  -12    6    2 o  446.308   4.6928  689.381   14.496  653.288   19.958  729.682   21.089  434.447   6.6375  459.147   6.6365 -24.69952 9.386107 
1 1 1  -12    6    3 o  124.244   7.4509   53.628   6.3775   68.833   8.9476   37.926   9.0925  140.698   9.2399  103.839   12.932 36.85886 15.89362 
1 1 1  -12    6    4 o  1145.59   8.2178  4543.95   65.157  4491.18   91.119  4599.17   93.209  1138.62   11.563  1152.21   11.688 -13.59448 16.44097 
1 1 1  -12    6    5 o   85.541   12.721   25.918   7.3022   25.311   10.471   26.493   10.188   83.741   18.555   85.785   17.745 -2.043999 25.67470 
1 1 1  -12    6    6 o  406.919   5.9841  573.217   16.853  540.000   29.345  589.565   20.587  394.794   10.740  412.647   7.2083 -17.85260 12.93443 
1 1 1  -12    6    7 o  374.660   10.127  486.146   26.261  486.146   26.261   0.0000   0.0000  374.660   10.127  ?   ?  0.000000 10.12720 
1 1 1  -12    6    8 f  332.752   10.170  383.415   23.422  383.415   23.422   0.0000   0.0000  332.752   10.170  ?   ?  0.000000 10.17007 
1 1 1  -12    6    9 o  2141.36   14.472 15885.75  214.483 16078.05  433.711 15823.49  246.770  2150.65   29.138  2136.77   16.686 13.88110 33.57714 
1 1 1  -12    6   10 o  1208.63   8.7297  5057.21   73.024  4941.46  142.308  5098.58   85.080  1194.01   17.220  1213.48   10.130 -19.46411 19.97902 
1 1 1  -12    6   11 o  872.667   13.430  2638.54   81.118  2638.54   81.118   0.0000   0.0000  872.667   13.430  ?   ?  0.000000 13.43040 
1 1 1  -12    6   12 o  332.117   7.0501  381.871   16.206  355.925   18.839  455.707   31.780  320.605   8.4900  362.633   12.662 -42.02823 15.24516 
1 1 1  -12    6   13 o  124.192   12.539   54.012   10.630   44.109   14.606   65.167   15.501  111.014   19.732  135.982   16.829 -24.96759 25.93431 
1 1 1  -12    6   14 o  252.495   7.1714  220.810   12.532  229.551   17.593  211.803   17.858  257.348   9.8771  247.176   10.439 10.17207 14.37081 
1 1 1  -12    6   15 o  158.070   14.457   87.641   15.641  119.805   29.385   74.927   18.475  183.297   23.719  145.314   18.811 37.98305 30.27317 
1 1 1  -12    6   16 o   68.987   20.840   16.868   10.790   14.950   14.267   19.429   16.490   68.918   24.181   76.643   26.033 -7.725304 35.53067 
1 1 1  -12    6   17 o  199.202   7.3137  137.689   10.083  134.385   11.694  147.268   19.909  196.697   8.5900  204.792   14.133 -8.095795 16.53876 
1 1 1  -12    6   18 o  121.575   11.903   52.111   9.8867   50.470   11.705   56.195   18.470  119.093   14.500  123.645   22.408 -4.552391 26.68986 
1 1 1  -12    6   19 o   77.961   17.702   22.427   9.3338   29.812   10.840   1.2483   18.356   90.057   18.020   59.185   25.288 30.87167 31.05169 
1 1 1  -12    6   20 o   67.933   18.597   17.131   8.9994   8.5564   10.380   43.093   18.061   54.629   20.411  105.971   25.025 -51.34161 32.29353 
1 1 1  -12    6   21 o   79.739   17.347   23.803   9.3013   19.970   10.864   34.327   18.001   72.610   20.642   93.257   26.591 -20.64626 33.66252 
1 1 1  -12    8    1 o  364.976   4.5167  461.014   11.409  424.320   15.712  501.948   16.595  350.134   6.4837  380.819   6.2962 -30.68552 9.037741 
1 1 1  -12    8    2 o  268.293   4.7327  249.124   8.7881  234.853   12.259  264.210   12.605  260.480   6.8000  276.283   6.5917 -15.80292 9.470501 
1 1 1  -12    8    3 o  156.305   6.4855   84.570   7.0161   80.337   9.9291   88.791   9.9154  152.025   9.4840  159.885   8.9970 -7.860764 13.07256 
1 1 1  -12    8    4 o  935.785   8.0751  3032.13   52.300  2937.56   87.468  3084.76   65.249  920.578   13.728  943.728   9.9896 -23.15021 16.97809 
1 1 1  -12    8    5 o  549.955   5.2260  1046.96   19.892  1044.13   28.145  1049.78   28.117  549.132   7.4053  550.615   7.3782 -1.482666 10.45354 
1 1 1  -12    8    6 o  1032.07   7.6006  3688.15   54.292  3833.17  112.126  3643.73   62.051  1051.26   15.411  1025.75   8.7404 25.51392 17.71669 
1 1 1  -12    8    7 o  776.017   12.437  2086.34   66.796  2086.34   66.796   0.0000   0.0000  776.017   12.437  ?   ?  0.000000 12.43666 
1 1 1  -12    8    8 o  1202.96   8.6289  5010.09   71.843  5160.98  147.330  4963.02   82.290  1220.10   17.447  1197.21   9.9312 22.89026 20.07544 
1 1 1  -12    8    9 o  338.302   6.4890  396.142   15.194  370.927   24.349  412.220   19.443  327.295   10.749  345.077   8.1409 -17.78159 13.48398 
1 1 1  -12    8   10 o  1570.40   15.420  8545.31  167.596  8404.88  232.374  8697.56  241.948  1556.48   21.571  1583.25   22.080 -26.77283 30.86786 
1 1 1  -12    8   12 o  1049.85   7.8510  3816.27   57.046  3910.05   82.038  3728.46   79.379  1062.37   11.157  1037.42   11.055 24.95227 15.70692 
1 1 1  -12    8   13 o  449.436   5.5115  699.258   17.144  713.998   20.250  661.951   32.214  454.119   6.4428  437.070   10.649 17.04886 12.44655 
1 1 1  -12    8   14 o  547.759   6.6346  1039.08   25.153  1025.69   31.104  1064.39   42.756  544.106   8.2596  554.012   11.151 -9.905396 13.87653 
1 1 1  -12    8   15 o  661.153   6.0031  1514.13   27.470  1518.86   32.028  1500.98   53.424  662.073   6.9895  657.392   11.742 4.681152 13.66465 
1 1 1  -12    8   16 o  242.590   6.7309  204.003   11.301  196.880   13.191  223.658   21.913  238.233   7.9999  253.478   12.491 -15.24529 14.83286 
1 1 1  -12    8   17 o  202.405   7.2955  142.159   10.220  142.805   11.941  140.390   19.761  202.764   8.5088  199.856   14.382 2.908508 16.71095 
1 1 1  -12    8   18 o  266.291   6.5482  246.106   12.068  259.234   14.058  209.317   23.533  273.186   7.4350  243.935   13.997 29.25075 15.84949 
1 1 1  -12    8   19 o   51.562   19.154   7.5181   9.1144   5.6691   10.676   12.488   17.503   51.438   20.309   68.333   26.281 -16.89554 33.21344 
1 1 1  -12    8   20 o  280.091   7.7964  273.375   15.114  267.405   19.001  283.659   24.938  276.421   9.9316  283.692   12.701 -7.271454 16.12291 
1 1 1  -12    8   21 o   78.227   17.329   22.939   9.1354   28.718   10.695   7.3463   17.569   87.433   18.263   61.992   25.484 25.44098 31.35264 
1 1 1  -12   10    1 o  399.392   4.5753  552.069   12.647  540.943   17.631  563.863   18.152  395.327   6.4436  403.614   6.4981 -8.287354 9.151312 
1 1 1  -12   10    2 f  1108.30   7.9765  4252.31   61.185  4083.25   83.063  4452.85   90.468  1085.85   11.052  1133.90   11.528 -48.04358 15.97020 
1 1 1  -12   10    3 o  548.334   5.1065  1040.69   19.380  995.966   26.670  1090.74   28.209  536.369   7.1842  561.306   7.2614 -24.93726 10.21468 
1 1 1  -12   10    4 o  747.317   6.9288  1933.57   35.838  1861.46   59.779  1974.03   44.776  732.924   11.785  755.001   8.5688 -22.07697 14.57052 
1 1 1  -12   10    5 o  649.125   7.9507  1459.15   35.720   0.0000   0.0000  1459.15   35.720  ?   ?   649.125   7.9507 0.000000 7.950689 
1 1 1  -12   10    6 o  325.218   5.7847  366.122   13.021  394.195   22.600  352.174   15.930  337.366   9.6791  318.937   7.2168 18.42902 12.07341 
1 1 1  -12   10    7 o  682.094   8.1730  1610.79   38.583  1488.78   51.434  1767.81   58.348  655.611   11.335  714.384   11.801 -58.77301 16.36304 
1 1 1  -12   10    8 o  1566.25   12.516  8496.98  135.673  8736.58  241.053  8385.88  164.141  1586.69   21.950  1555.64   15.245 31.05383 26.72511 
1 1 1  -12   10    9 o  783.473   7.4116  2124.80   40.190  2074.63   67.003  2153.00   50.229  773.964   12.508  788.593   9.2029 -14.62799 15.52895 
1 1 1  -12   10   10 o  566.594   5.6689  1111.14   22.230  1116.10   43.430  1109.38   25.877  567.714   11.053  566.127   6.6043 1.586670 12.87580 
1 1 1  -12   10   11 o  282.285   15.010  276.976   29.221   0.0000   0.0000  276.976   29.221  ?   ?   282.285   15.010 0.000000 15.01043 
1 1 1  -12   10   12 o  1030.47   8.8309  3677.30   62.982  3729.54   78.012  3579.51  106.734  1037.57   10.863  1015.96   15.179 21.61212 18.66611 
1 1 1  -12   10   13 o  293.658   6.5129  298.577   13.237  309.171   16.125  276.683   23.181  298.789   7.7973  282.517   11.855 16.27161 14.18969 
1 1 1  -12   10   14 o  418.041   5.5829  605.102   16.153  614.747   19.057  580.488   30.443  421.316   6.5354  409.142   10.751 12.17487 12.58132 
1 1 1  -12   10   15 o  313.478   6.4950  340.463   14.092  355.254   17.193  310.195   24.596  320.135   7.7598  298.810   11.893 21.32574 14.20051 
1 1 1  -12   10   16 o  159.469   10.543   88.767   11.571   89.877   14.266   86.634   19.781  160.114   12.985  156.095   18.681 4.018555 22.75060 
1 1 1  -12   10   17 o  133.049   11.549   62.145   10.529   62.145   10.529   0.0000   0.0000  133.049   11.549  ?   ?  0.000000 11.54856 
1 1 1  -12   10   18 o  227.706   6.9364  180.031   10.932  194.912   13.034  144.732   20.074  236.805   7.9523  202.558   14.413 34.24757 16.46152 
1 1 1  -12   10   19 o   88.107   16.350   28.335   9.6029   31.769   11.673   21.146   16.889   92.781   18.822   77.714   26.346 15.06648 32.37913 
1 1 1  -12   10   20 o  125.160   11.445   55.476   9.8045   51.902   11.375   65.805   19.337  120.367   13.911  132.809   21.793 -12.44247 25.85448 
1 1 1  -12   10   21 f   57.955   19.597   11.746   9.3443   9.7121   10.928   17.278   18.021   56.431   20.971   72.261   26.915 -15.82979 34.12075 
1 1 1  -12   12    1 o  413.682   4.6490  592.298   13.311  552.287   18.176  638.567   19.546  399.437   6.5748  429.506   6.5753 -30.06891 9.298566 
1 1 1  -12   12    2 o   95.937   9.5708   32.189   6.2701   38.944   8.7925   25.199   8.9440  105.311   12.295   83.865   15.993 21.44632 20.17234 
1 1 1  -12   12    3 o  999.460   8.4870  3459.08   58.708  3401.95   99.499  3489.59   72.714  990.552   14.513  1003.69   10.467 -13.13641 17.89421 
1 1 1  -12   12    4 o  795.497   6.2995  2190.82   34.683  2093.09   47.161  2305.93   51.185  777.400   8.7651  815.945   9.0637 -38.54474 12.60867 
1 1 1  -12   12    5 o  396.904   5.6512  545.331   15.524  518.537   25.588  560.937   19.529  386.914   9.5555  402.508   7.0100 -15.59464 11.85105 
1 1 1  -12   12    6 o  253.680   5.4651  222.753   9.5953  214.976   18.260  225.720   11.278  249.129   10.590  255.352   6.3814 -6.223907 12.36415 
1 1 1  -12   12    7 o  122.798   9.5648   52.530   8.0650   58.732   14.451   49.725   9.7196  129.107   16.553  119.220   11.940 9.887527 20.40988 
1 1 1  -12   12    8 o  1371.19   11.139  6510.90  105.709  6639.02  185.717  6449.50  128.568  1383.65   19.393  1364.48   13.614 19.17310 23.69470 
1 1 1  -12   12    9 o  408.984   5.3787  578.929   15.225  565.854   28.986  583.911   17.892  404.258   10.360  410.729   6.2940 -6.471313 12.12196 
1 1 1  -12   12   11 o  492.125   6.4920  838.368   22.112  857.842   26.325  791.707   40.749  497.778   7.6411  478.039   12.316 19.73904 14.49412 
1 1 1  -12   12   12 o  395.108   7.5702  540.529   20.701  530.732   28.983  550.732   29.578  391.403   10.699  398.709   10.719 -7.305786 15.14461 
1 1 1  -12   12   13 o   83.329   18.893   25.099   10.645   28.640   13.724   19.751   16.865   88.964   22.325   77.956   26.328 11.00811 34.51938 
1 1 1  -12   12   14 o  429.258   6.1079  638.107   18.146  655.579   22.415  604.878   30.912  435.019   7.4447  417.624   10.695 17.39578 13.03071 
1 1 1  -12   12   15 o  132.177   10.604   61.044   9.6192   64.786   11.368   51.610   18.049  135.990   12.208  119.327   22.684 16.66263 25.76032 
1 1 1  -12   12   16 o  204.547   7.2681  145.099   10.289  146.725   12.109  140.878   19.516  205.607   8.5095  200.462   14.157 5.145111 16.51783 
1 1 1  -12   12   17 o  230.398   8.0985  184.356   12.914  200.243   16.815  161.512   20.164  239.879   10.128  214.528   13.651 25.35138 16.99823 
1 1 1  -12   12   18 o   71.251   17.883   18.660   8.8050   27.699   10.359  -4.8678   16.713   86.976   17.808   52.194   23.170 34.78173 29.22311 
1 1 1  -12   12   19 o   99.651   16.645   36.122   11.075   24.369   14.668   51.707   16.891   81.028   24.258  118.116   21.452 -37.08827 32.38318 
1 1 1  -12   12   20 o   59.520   21.441   11.283   11.285 -14.1178   14.720   47.502   17.577   42.084   19.780  111.712   23.480 -69.62839 30.70123 
1 1 1  -12   12   21 o  156.506   9.4737   86.297   10.214   87.603   11.938   82.732   19.728  157.194   11.043  149.012   19.605 8.182846 22.50104 
1 1 1  -12   14    1 o  447.474   4.7667  693.048   14.763  647.907   20.150  745.357   21.691  432.616   6.7296  464.011   6.7541 -31.39484 9.534426 
1 1 1  -12   14    2 o  454.274   4.8366  714.291   15.207  680.777   20.869  752.230   22.204  443.443   6.7996  466.132   6.8825 -22.68848 9.674852 
1 1 1  -12   14    3 o  750.482   6.9505  1950.04   36.102  1839.03   59.051  2016.30   45.621  728.474   11.712  763.023   8.6388 -34.54846 14.55345 
1 1 1  -12   14    4 o  137.734   7.8989   65.909   7.4984   25.024   13.730   83.286   8.9512   83.530   23.013  154.852   8.3832 -71.32189 24.49279 
1 1 1  -12   14    5 o  472.499   5.7198  772.823   18.705  773.171   31.761  772.638   23.144  472.471   9.7127  472.404   7.0787 0.6631470E-01 12.01850 
1 1 1  -12   14    6 o  307.871   5.7386  328.087   12.228  294.341   20.493  346.746   15.238  291.532   10.156  316.486   6.9565 -24.95349 12.31030 
1 1 1  -12   14    7 o   94.778   12.314   31.638   7.8870   20.493   13.838   37.000   9.5986   76.910   23.675  102.406   13.902 -25.49593 27.45504 
1 1 1  -12   14    8 f  802.078   7.3673  2226.92   40.898  2222.64   49.965  2235.61   71.194  801.249   9.0100  803.407   12.803 -2.158081 15.65595 
1 1 1  -12   14    9 o  906.047   9.8219  2842.28   61.592  2842.28   61.592   0.0000   0.0000  906.047   9.8219  ?   ?  0.000000 9.821855 
1 1 1  -12   14   10 o  550.359   6.4294  1048.45   24.490  1110.64   30.386  933.171   41.372  566.413   7.7510  519.075   11.516 47.33789 13.88140 
1 1 1  -12   14   11 o  376.456   5.6359  490.551   14.684  493.768   20.172  486.925   21.417  377.647   7.7178  375.008   8.2515 2.638550 11.29835 
1 1 1  -12   14   12 o  837.607   9.7074  2430.20   56.275   0.0000   0.0000  2430.20   56.275  ?   ?   837.607   9.7074 0.000000 9.707382 
1 1 1  -12   14   13 o  456.651   6.1272  722.001   19.365  729.979   23.556  705.366   34.014  459.112   7.4131  451.109   10.894 8.002808 13.17725 
1 1 1  -12   14   14 o  405.153   5.4869  568.401   15.386  586.156   18.089  521.951   29.258  411.389   6.3532  387.891   10.898 23.49780 12.61481 
1 1 1  -12   14   15 o  416.638   5.5073  601.274   15.881  604.982   18.464  590.732   31.131  417.854   6.3844  412.405   10.907 5.448242 12.63798 
1 1 1  -12   14   16 o  118.167   13.039   49.250   10.486   49.250   10.486   0.0000   0.0000  118.167   13.039  ?   ?  0.000000 13.03906 
1 1 1  -12   14   17 o  281.958   7.2535  275.937   14.155  308.759   18.419  228.585   22.123  298.028   8.9294  255.881   12.492 42.14711 15.35516 
1 1 1  -12   14   18 o  122.803   13.204   53.446   11.046   60.413   13.998   41.946   17.983  130.005   15.888  105.679   24.981 24.32616 29.60492 
1 1 1  -12   14   19 o  128.696   10.733   58.338   9.4725   52.662   10.970   74.976   18.782  121.658   13.242  143.464   19.414 -21.80523 23.50006 
1 1 1  -12   14   20 o   44.524   18.589   1.9713   9.5497   14.287   11.320 -28.4293   17.785   63.959   21.570   40.925   19.884 23.03353 29.33667 
1 1 1  -12   16    1 o  478.344   4.8996  792.008   16.221  717.848   21.755  884.855   24.342  455.346   6.9031  505.545   6.9571 -50.19904 9.800704 
1 1 1  -12   16    2 o  316.143   5.4892  345.980   12.011  317.610   19.332  363.815   15.328  302.818   9.2240  324.161   6.8320 -21.34375 11.47859 
1 1 1  -12   16    3 o  594.356   6.1563  1222.97   25.325  1170.24   41.923  1253.27   31.778  581.181   10.422  601.608   7.6320 -20.42676 12.91792 
1 1 1  -12   16    4 o  567.612   10.271  1116.10   40.350  1116.10   40.350   0.0000   0.0000  567.612   10.271  ?   ?  0.000000 10.27102 
1 1 1  -12   16    5 o  561.449   5.2726  1091.10   20.488  1030.73   38.628  1114.74   24.168  545.525   10.231  567.474   6.1535 -21.94861 11.93881 
1 1 1  -12   16    6 o  687.771   6.7564  1637.45   32.161  1575.12   52.884  1674.04   40.515  674.365   11.331  695.353   8.4184 -20.98761 14.11566 
1 1 1  -12   16    7 o  1417.33   9.8871  6955.54   96.987  6912.60  136.203  6999.70  138.139  1412.55   13.932  1421.41   14.042 -8.858887 19.78029 
1 1 1  -12   16    8 o  285.330   6.1571  281.790   12.159  274.277   14.602  298.780   21.959  281.487   7.4951  293.746   10.801 -12.25900 13.14661 
1 1 1  -12   16    9 o  837.143   7.6345  2425.95   44.234  2433.26   54.100  2411.22   76.830  838.338   9.3240  834.330   13.305 4.007874 16.24694 
1 1 1  -12   16   10 o  417.769   5.4356  604.093   15.717  617.527   21.948  589.955   22.516  422.352   7.5083  412.807   7.8808 9.544434 10.88491 
1 1 1  -12   16   11 o  422.971   5.6067  619.274   16.413  621.730   22.643  616.553   23.826  423.759   7.7202  421.978   8.1581 1.780334 11.23195 
1 1 1  -12   16   12 o  394.893   12.050  540.488   32.935  540.488   32.935   0.0000   0.0000  394.893   12.050  ?   ?  0.000000 12.05030 
1 1 1  -12   16   13 o  463.755   7.9199  744.949   25.421  773.659   37.478  720.488   34.595  472.367   11.464  455.884   10.964 16.48315 15.86290 
1 1 1  -12   16   14 o  295.135   5.9239  301.669   12.101  307.848   14.063  284.049   23.747  298.104   6.8162  286.036   11.995 12.06830 13.79681 
1 1 1  -12   16   15 o  154.327   8.8956   82.907   9.4612   92.969   11.141   56.878   17.919  163.345   9.9012  125.589   21.381 37.75600 23.56249 
1 1 1  -12   16   16 o  115.108   11.449   46.569   9.0003   41.904   10.477   59.707   17.583  108.639   14.280  128.663   20.428 -20.02399 24.92388 
1 1 1  -12   16   17 f  117.776   11.223   48.788   9.0379   49.061   10.761   48.137   16.651  117.698   13.452  114.577   21.794 3.121078 25.61097 
1 1 1  -12   16   18 o  121.055   18.428   53.122   14.952   55.171   26.797   52.195   18.018  119.524   31.826  118.672   22.765 0.8521500 39.13020 
1 1 1  -12   16   19 o  166.964   8.5334   97.417   9.8281  100.530   11.498   88.976   18.936  169.346   9.8527  157.007   17.737 12.33884 20.28945 
1 1 1  -12   16   20 o   60.666   19.070   13.295   8.9257   13.450   10.233   12.805   18.252   61.779   20.504   68.509   26.701 -6.730274 33.66515 
1 1 1  -12   18    1 o  307.644   4.9474  327.611   10.534  288.746   14.276  374.064   15.608  288.779   7.1429  328.692   6.8609 -39.91315 9.904150 
1 1 1  -12   18    2 o  427.783   5.5856  633.489   16.537  562.927   26.475  678.640   21.177  403.129   9.4887  442.727   6.9113 -39.59753 11.73892 
1 1 1  -12   18    3 o  546.529   5.9885  1034.02   22.652  916.097   35.504  1114.97   29.417  514.261   9.9751  567.463   7.4901 -53.20276 12.47412 
1 1 1  -12   18    4 o  1064.61   7.7737  3924.20   57.279  3712.68  107.714  4007.59   67.635  1034.79   15.040  1075.76   9.0840 -40.97058 17.57032 
1 1 1  -12   18    5 o  221.616   6.4566  170.012   9.9034  161.707   16.330  174.843   12.455  215.796   10.970  224.724   8.0079 -8.928085 13.58182 
1 1 1  -12   18    7 o  925.076   7.0112  2962.22   44.890  2943.81   62.904  2981.31   64.080  922.079   9.8568  927.927   9.9777 -5.848450 14.02537 
1 1 1  -12   18    8 o  1046.81   8.8979  3793.65   64.466  3792.93   78.715  3795.12  112.347  1046.60   10.867  1046.58   15.510 0.2612305E-01 18.93795 
1 1 1  -12   18    9 o  272.259   7.9105  256.606   14.906  256.606   14.906   0.0000   0.0000  272.259   7.9105  ?   ?  0.000000 7.910532 
1 1 1  -12   18   10 o  220.157   6.9417  167.788   10.577  174.817   14.566  159.946   15.385  224.689   9.3663  214.906   10.344 9.783691 13.95428 
1 1 1  -12   18   11 o  433.463   5.6877  650.396   17.063  688.120   23.958  611.558   24.309  445.800   7.7647  420.251   8.3575 25.54974 11.40781 
1 1 1  -12   18   13 o  292.613   9.7147  296.755   19.674   0.0000   0.0000  296.755   19.674  ?   ?   292.613   9.7147 0.000000 9.714707 
1 1 1  -12   18   14 o   96.894   15.249   33.457   9.8884   32.648   11.959   35.205   17.582   95.082   18.839   98.265   25.597 -3.183342 31.78188 
1 1 1  -12   18   15 o  249.033   7.4712  215.037   12.877  215.037   12.877   0.0000   0.0000  249.033   7.4712  ?   ?  0.000000 7.471184 
1 1 1  -12   18   16 o  437.203   5.4933  662.420   16.622  687.708   19.682  599.512   31.043  445.358   6.3852  415.076   10.806 30.28226 12.55129 
1 1 1  -12   18   17 o  101.509   12.768   36.568   8.7719   23.107   10.274   72.780   16.851   79.286   18.975  142.685   17.425 -63.39896 25.76250 
1 1 1  -12   18   18 o  198.083   8.6623  136.602   11.876  148.290   15.029  117.171   19.378  205.814   10.586  181.615   15.567 24.19824 18.82512 
1 1 1  -12   18   19 o  183.376   7.9170  117.122   10.048  111.467   11.557  134.634   20.338  178.420   9.3919  194.369   15.240 -15.94841 17.90174 
1 1 1  -12   18   20 o   71.323   18.153   19.066   8.9835   21.483   10.490   12.420   17.397   75.452   19.829   67.119   26.093 8.333130 32.77221 
1 1 1  -12   20    1 o  592.701   7.5446  1216.37   30.949  1125.85   40.871  1338.05   47.386  570.078   10.359  621.439   11.017 -51.36127 15.12227 
1 1 1  -12   20    3 o  611.531   5.4400  1294.47   23.025  1164.39   42.102  1349.97   27.502  579.795   10.492  624.475   6.3632 -44.68048 12.27059 
1 1 1  -12   20    4 o  670.764   5.7266  1557.37   26.585  1382.44   47.668  1636.35   32.029  631.769   10.902  687.530   6.7310 -55.76147 12.81212 
1 1 1  -12   20    5 o  698.881   5.8047  1690.63   28.078  1654.54   38.985  1729.52   40.472  691.308   8.1480  706.795   8.2735 -15.48694 11.61209 
1 1 1  -12   20    6 o  1228.95   8.7400  5228.81   74.340  5216.52  104.693  5241.31  105.577  1227.24   12.326  1230.15   12.400 -2.906372 17.48405 
1 1 1  -12   20    7 o  971.740   7.2815  3268.63   48.972  3208.07   67.781  3334.77   70.834  962.571   10.174  981.380   10.429 -18.80945 14.56943 
1 1 1  -12   20    8 o  137.114   12.357   65.640   11.600   65.640   11.600   0.0000   0.0000  137.114   12.357  ?   ?  0.000000 12.35657 
1 1 1  -12   20    9 o  381.818   6.0475  504.611   15.981  495.826   19.134  524.878   29.062  378.460   7.3047  389.315   10.786 -10.85464 13.02661 
1 1 1  -12   20   10 o  180.630   8.1062  112.966   10.134   94.953   13.796  134.079   14.936  165.105   12.158  196.435   11.030 -31.32986 16.41622 
1 1 1  -12   20   11 o  627.233   6.8534  1362.08   29.752  1379.51   51.487  1353.34   36.454  630.952   11.790  625.144   8.4254 5.807251 14.49128 
1 1 1  -12   20   12 f  138.582   11.446   67.023   10.880   63.045   14.871   71.604   15.959  133.755   16.408  142.663   16.465 -8.907532 23.24493 
1 1 1  -12   20   13 o  158.565   10.072   87.519   10.996   75.396   15.292  100.502   15.824  146.505   15.307  169.592   13.596 -23.08742 20.47307 
1 1 1  -12   20   14 o  562.849   7.7518  1098.10   30.198  1193.17   43.765  1011.71   41.720  586.260   10.786  539.781   11.167 46.47974 15.52576 
1 1 1  -12   20   15 o  224.790   9.4582  175.455   14.715  195.658   21.534  157.756   20.155  236.642   13.200  212.312   13.791 24.33026 19.09036 
1 1 1  -12   20   16 o   51.737   18.778   7.8172   8.6790   10.524   10.103   0.1954   16.953   57.917   20.347   56.847   24.296 1.070572 31.69038 
1 1 1  -12   20   17 o  247.167   7.6585  212.224   13.101  223.105   16.914  195.902   20.714  253.139   9.6539  236.350   12.710 16.78967 15.96041 
1 1 1  -12   20   18 o   87.608   15.159   27.806   8.8589   26.651   10.282   31.132   17.453   85.079   18.022   91.031   26.254 -5.952003 31.84425 
1 1 1  -12   20   19 o   81.700   19.861   24.993   11.121   21.273   13.958   31.459   18.404   76.037   23.839   90.834   27.168 -14.79767 36.14379 
1 1 1  -12   20   20 o   50.020   20.097   5.0204   10.636   5.0204   10.636   0.0000   0.0000   50.020   20.097  ?   ?  0.000000 20.09697 
1 1 1  -12   22    1 o  760.718   7.0773  2003.45   37.262  1877.56   60.848  2078.98   47.134  736.144   11.943  774.837   8.7892 -38.69293 14.82840 
1 1 1  -12   22    2 o  725.293   11.795  1822.44   59.209  1822.44   59.209   0.0000   0.0000  725.293   11.795  ?   ?  0.000000 11.79508 
1 1 1  -12   22    3 o  517.651   5.9824  927.542   21.433  841.951   34.041  983.760   27.588  493.076   9.9750  533.069   7.4777 -39.99310 12.46659 
1 1 1  -12   22    4 o  637.787   10.977  1408.78   48.457  1408.78   48.457   0.0000   0.0000  637.787   10.977  ?   ?  0.000000 10.97748 
1 1 1  -12   22    5 o  281.169   5.0976  273.619   9.9200  265.657   13.711  282.366   14.370  277.027   7.1510  285.605   7.2698 -8.577423 10.19739 
1 1 1  -12   22    6 o  766.325   6.1635  2032.64   32.690  2016.87   45.635  2049.25   46.851  763.274   8.6386  769.370   8.7984 -6.096130 12.33034 
1 1 1  -12   22    7 o  1461.79   10.176  7398.54  102.949  7282.26  142.929  7523.91  148.409  1449.89   14.243  1473.71   14.550 -23.82617 20.36119 
1 1 1  -12   22    8 o  970.357   8.4563  3259.73   56.792  3169.74   67.295  3482.44  105.864  956.784   10.162  1002.51   15.258 -45.72412 18.33209 
1 1 1  -12   22    9 o  1350.98   19.143  6331.71  178.994   0.0000   0.0000  6331.71  178.994  ?   ?   1350.98   19.143 0.000000 19.14308 
1 1 1  -12   22   10 o  1315.33   9.3466  5991.52   85.087  6070.71  121.606  5915.56  119.096  1323.50   13.276  1306.49   13.171 17.00757 18.70065 
1 1 1  -12   22   11 o  294.155   8.7413  299.674   17.796  299.674   17.796   0.0000   0.0000  294.155   8.7413  ?   ?  0.000000 8.741267 
1 1 1  -12   22   12 o  269.659   6.7810  251.801   12.656  246.212   17.280  258.268   18.587  266.572   9.3662  273.003   9.8370 -6.431519 13.58278 
1 1 1  -12   22   13 o  396.735   7.9911  545.406   21.943  545.406   21.943   0.0000   0.0000  396.735   7.9911  ?   ?  0.000000 7.991141 
1 1 1  -12   22   14 o  201.510   10.467  141.359   14.547  136.679   16.420  158.439   31.367  197.944   12.043  211.408   21.747 -13.46425 24.85907 
1 1 1  -12   22   15 o  179.713   7.9950  112.056   9.9443  101.555   11.531  142.537   19.645  170.696   9.8012  201.644   14.166 -30.94765 17.22648 
1 1 1  -12   22   16 o  170.829   9.4489  101.776   11.128  108.184   13.901   90.341   18.570  175.822   11.486  159.461   17.092 16.36098 20.59334 
1 1 1  -12   22   17 o  206.895   7.3613  148.688   10.541  148.561   12.374  149.024   20.127  206.659   8.6510  205.608   14.231 1.051300 16.65444 
1 1 1  -12   22   18 o   62.569   18.824   14.142   8.8164   14.917   10.111   11.683   18.009   64.630   20.294   68.067   26.524 -3.436104 33.39699 
1 1 1  -12   22   19 o  121.952   11.257   52.628   9.3944   48.107   10.565   69.707   20.533  116.006   13.406  136.572   22.507 -20.56577 26.19707 
1 1 1  -12   22   20 o  130.546   10.948   60.430   9.8005   62.153   11.293   55.171   19.727  131.930   12.517  119.152   24.731 12.77721 27.71830 
1 1 1  -12   24    1 o  1240.45   17.598  5336.58  151.087   0.0000   0.0000  5336.58  151.087  ?   ?   1240.45   17.598 0.000000 17.59834 
1 1 1  -12   24    2 o  201.611   6.1838  140.699   8.6287  150.244   17.137  137.457   9.9871  207.920   11.959  199.266   7.2415 8.654144 13.98065 
1 1 1  -12   24    3 o  1059.27   8.9231  3884.91   65.419  3805.34   78.400  4067.32  118.699  1048.24   10.806  1083.26   15.832 -35.02051 19.16850 
1 1 1  -12   24    4 o  565.149   6.0600  1105.52   23.703  1074.20   28.306  1179.02   43.367  557.059   7.3417  583.501   10.738 -26.44220 13.00824 
1 1 1  -12   24    5 o  973.618   8.3933  3281.61   56.559  3197.34   67.340  3483.42  104.208  960.953   10.125  1002.69   15.016 -41.74030 18.11065 
1 1 1  -12   24    6 o  582.005   6.2460  1172.43   25.160  1177.92   30.600  1160.98   44.204  583.338   7.5792  579.033   11.030 4.304504 13.38311 
1 1 1  -12   24    7 o  358.706   7.0795  445.388   17.576  445.388   17.576   0.0000   0.0000  358.706   7.0795  ?   ?  0.000000 7.079519 
1 1 1  -12   24    8 o  786.261   7.3294  2140.04   39.885  2096.13   47.677  2242.44   72.802  778.093   8.8531  804.565   13.074 -26.47162 15.78943 
1 1 1  -12   24    9 o  534.555   11.046  989.756   40.866   0.0000   0.0000  989.756   40.866  ?   ?   534.555   11.046 0.000000 11.04574 
1 1 1  -12   24   10 o  821.098   7.6653  2334.39   43.561  2353.66   75.216  2324.66   53.435  824.042   13.188  819.272   9.4236 4.769775 16.20907 
1 1 1  -12   24   11 o  625.683   5.8856  1355.28   25.487  1355.53   35.638  1355.02   36.465  625.620   8.2304  625.490   8.4232 0.1291504 11.77666 
1 1 1  -12   24   12 f  111.715   13.857   43.979   10.484   56.752   14.362   29.405   15.341  126.686   16.794   90.210   24.109 36.47644 29.38160 
1 1 1  -12   24   13 o  373.637   6.9863  483.664   18.066  489.367   21.066  467.805   35.129  375.759   8.1001  366.847   13.836 8.911987 16.03237 
1 1 1  -12   24   14 o  173.778   10.465  105.259   12.527  140.829   19.756   81.338   16.201  200.551   14.327  151.915   15.632 48.63524 21.20432 
1 1 1  -12   24   15 o  350.528   7.4313  426.232   18.029  436.293   24.210  413.707   27.013  354.312   9.8725  344.787   11.320 9.524353 15.02010 
1 1 1  -12   24   16 o  205.083   7.1731  145.977   10.182  145.645   11.911  146.878   19.618  204.738   8.4059  204.422   13.950 0.3159637 16.28645 
1 1 1  -12   24   17 o  236.538   6.6997  194.260   10.968  195.474   12.651  190.585   22.008  237.149   7.7079  232.678   13.727 4.471222 15.74308 
1 1 1  -12   24   18 o   61.396   19.131   13.473   9.0044   4.2502   10.121   48.488   19.720   48.637   19.582  112.852   25.809 -64.21482 32.39696 
1 1 1  -12   24   19 o  126.481   11.969   56.782   10.353   56.782   10.353   0.0000   0.0000  126.481   11.969  ?   ?  0.000000 11.96943 
1 1 1  -12   26    1 o  220.275   11.788  168.537   17.907  168.537   17.907   0.0000   0.0000  220.275   11.788  ?   ?  0.000000 11.78830 
1 1 1  -12   26    2 o  1195.86   9.8576  4951.77   81.588  4855.12  138.300  5003.35  101.044  1183.47   16.885  1201.89   12.147 -18.42493 20.79997 
1 1 1  -12   26    3 o  845.012   7.5444  2471.80   44.123  2386.34   73.978  2518.99   54.971  830.021   12.878  852.968   9.3115 -22.94708 15.89143 
1 1 1  -12   26    4 o  750.211   6.0939  1948.05   31.641  1912.38   43.915  1986.55   45.629  743.240   8.5370  757.513   8.7031 -14.27191 12.19116 
1 1 1  -12   26    5 o  1059.89   8.9677  3889.05   65.784  3883.47   80.250  3900.49  114.859  1059.02   10.949  1061.00   15.641 -1.981323 19.09245 
1 1 1  -12   26    6 o  491.962   10.749  838.049   36.601   0.0000   0.0000  838.049   36.601  ?   ?   491.962   10.749 0.000000 10.74947 
1 1 1  -12   26    7 o  493.234   6.0538  842.060   20.666  840.558   24.922  845.366   36.975  492.770   7.3074  494.088   10.813 -1.317902 13.05026 
1 1 1  -12   26    8 o  494.480   10.882  846.829   37.243   0.0000   0.0000  846.829   37.243  ?   ?   494.480   10.882 0.000000 10.88223 
1 1 1  -12   26    9 o  814.701   9.2350  2298.53   52.073  2142.93   68.624  2509.76   79.952  786.400   12.608  850.962   13.575 -64.56165 18.52708 
1 1 1  -12   26   10 o  282.464   9.5453  276.361   18.661   0.0000   0.0000  276.361   18.661  ?   ?   282.464   9.5453 0.000000 9.545298 
1 1 1  -12   26   11 o  568.914   8.0044  1120.99   31.517  1120.99   31.517   0.0000   0.0000  568.914   8.0044  ?   ?  0.000000 8.004389 
1 1 1  -12   26   12 o  123.235   12.074   53.198   10.166   52.301   13.565   54.347   15.354  121.527   16.558  123.588   18.521 -2.061600 24.84373 
1 1 1  -12   26   13 o  208.568   8.0637  150.798   11.640  164.803   15.820  134.267   17.188  217.907   10.490  196.142   12.730 21.76476 16.49515 
1 1 1  -12   26   14 o  372.625   6.5950  481.257   17.008  498.240   21.646  453.854   27.497  378.973   8.2528  361.353   10.994 17.61990 13.74713 
1 1 1  -12   26   15 o   60.553   27.989 -20.5268   27.564   0.0000   0.0000 -20.5268   27.564  ?   ?    60.553   27.989 0.000000 27.98867 
1 1 1  -12   26   16 o  286.199   6.0091  284.084   11.903  297.594   13.988  248.634   22.659  292.821   6.9022  266.812   12.271 26.00986 14.07856 
1 1 1  -12   26   17 o   53.722   18.826   9.1968   8.6475   14.940   9.8704  -9.7659   17.936   64.662   20.010   50.906   23.172 13.75540 30.61609 
1 1 1  -12   26   18 o  156.389   9.0114   85.598   9.7125   90.539   10.831   65.317   21.944  160.695   9.7852  131.504   25.024 29.19186 26.86916 
1 1 1  -12   26   19 o   75.190   18.241   21.163   9.3954   28.931   10.571  -8.0585   20.502   88.199   17.928   55.206   24.989 32.99382 30.75488 
1 1 1  -12   28    1 o  872.971   6.7453  2637.88   40.755  2634.63   81.074  2638.98   47.144  872.109   13.432  873.115   7.8015 -1.005920 15.53309 
1 1 1  -12   28    2 o  668.285   8.0371  1546.04   37.174  1517.07   51.890  1576.58   53.282  661.882   11.327  674.736   11.410 -12.85400 16.07749 
1 1 1  -12   28    3 o  1790.51   12.214 11102.88  151.363 10675.41  204.875 11616.64  224.602  1755.09   16.866  1830.69   17.726 -75.59619 24.46814 
1 1 1  -12   28    4 o  899.981   6.8749  2803.61   42.823  2710.86   58.614  2909.78   62.715  884.871   9.5707  916.747   9.8843 -31.87598 13.75855 
1 1 1  -12   28    5 o  718.822   5.9733  1788.42   29.718  1746.66   41.066  1834.33   43.059  710.318   8.3532  727.920   8.5468 -17.60229 11.95089 
1 1 1  -12   28    6 o  670.392   8.0949  1555.83   37.559  1555.83   37.559   0.0000   0.0000  670.392   8.0949  ?   ?  0.000000 8.094925 
1 1 1  -12   28    7 o  453.436   6.0061  711.672   18.849  692.989   22.394  757.073   34.910  447.422   7.2316  467.556   10.788 -20.13416 12.98744 
1 1 1  -12   28    8 o  834.486   13.457  2413.17   77.721   0.0000   0.0000  2413.17   77.721  ?   ?   834.486   13.457 0.000000 13.45680 
1 1 1  -12   28    9 o  1044.83   8.9823  3780.61   64.955  3745.68   78.636  3855.61  115.240  1039.81   10.927  1054.32   15.793 -14.51343 19.20428 
1 1 1  -12   28   10 o  687.906   8.4451  1638.92   40.208  1638.92   40.208   0.0000   0.0000  687.906   8.4451  ?   ?  0.000000 8.445071 
1 1 1  -12   28   11 o  334.124   5.9371  386.538   13.730  413.946   19.275  358.310   19.561  345.690   8.0563  321.591   8.7886 24.09882 11.92241 
1 1 1  -12   28   12 o  247.288   8.0499  211.915   13.778  208.351   15.998  222.146   27.109  245.137   9.4292  252.227   15.605 -7.090668 18.23287 
1 1 1  -12   28   13 o  176.867   9.8343  108.904   11.991  123.561   18.380   98.043   15.822  187.853   14.243  167.280   13.789 20.57330 19.82355 
1 1 1  -12   28   14 o  164.083   9.1794   93.774   10.383   86.129   14.331  102.220   15.063  156.647   13.345  170.832   12.834 -14.18506 18.51507 
1 1 1  -12   28   15 o  116.410   12.687   47.832   10.056   49.573   13.926   45.935   14.537  117.498   17.671  112.622   19.347 4.875946 26.20271 
1 1 1  -12   28   16 o  235.359   7.1047  192.335   11.573  201.770   14.114  172.976   20.219  240.894   8.4654  221.909   13.225 18.98433 15.70197 
1 1 1  -12   28   17 o   28.863   13.872 -11.7350   8.0894  -5.4771   9.0018 -37.9951   18.440   35.932   16.379   38.981   19.207 -3.048820 25.24263 
1 1 1  -12   28   18 o   44.896   18.141   3.4593   8.7206   6.3096   9.5347 -11.1268   21.569   50.269   19.380   55.403   25.293 -5.134441 31.86403 
1 1 1  -12   28   19 o   35.901   16.401  -5.4482   9.0890  -4.3939   10.347  -9.0098   19.018   39.701   17.881   52.249   23.813 -12.54850 29.77955 
1 1 1  -12   30    1 o  677.652   8.1270  1589.67   38.116  1589.67   38.116   0.0000   0.0000  677.652   8.1270  ?   ?  0.000000 8.126972 
1 1 1  -12   30    2 o  1527.78   12.210  8083.43  129.111  7970.73  220.072  8142.58  159.432  1515.97   20.975  1533.06   15.026 -17.08484 25.80145 
1 1 1  -12   30    3 o  771.757   6.2216  2061.55   33.232  1996.78   45.641  2134.63   48.482  759.467   8.6830  785.236   8.9208 -25.76874 12.44891 
1 1 1  -12   30    4 o  585.879   5.4285  1188.03   22.012  1150.53   30.322  1229.82   32.007  576.515   7.5993  596.046   7.7586 -19.53101 10.86026 
1 1 1  -12   30    5 o  299.188   5.3887  309.817   11.158  307.224   15.512  312.597   16.064  297.911   7.5231  300.502   7.7236 -2.591309 10.78195 
1 1 1  -12   30    7 o  120.037   11.018   50.327   9.0512   56.308   12.168   42.920   13.542  126.685   14.118  109.739   18.487 16.94584 23.26163 
1 1 1  -12   30    8 o  296.996   7.1739  305.381   14.746  273.366   23.309  326.745   19.041  280.885   11.990  307.171   8.9564 -26.28586 14.96597 
1 1 1  -12   30    9 o  451.135   5.5256  704.526   17.253  704.360   23.552  704.718   25.345  451.020   7.5449  451.113   8.1177 -0.9356689E-01 11.08255 
1 1 1  -12   30   10 f  413.607   5.5920  592.242   16.008  580.018   21.581  607.193   23.868  409.245   7.6193  418.696   8.2365 -9.450684 11.22025 
1 1 1  -12   30   11 o  181.491   8.2557  114.127   10.370  133.578   13.974   90.284   15.471  196.011   10.337  160.631   14.058 35.37965 17.44922 
1 1 1  -12   30   12 f  386.365   5.6682  517.005   15.157  522.012   20.947  511.500   21.961  388.092   7.7983  384.129   8.2602 3.963287 11.35979 
1 1 1  -12   30   13 o  612.379   6.6568  1299.70   28.214  1328.43   35.228  1248.29   47.116  618.867   8.2246  599.285   11.360 19.58154 14.02437 
1 1 1  -12   30   14 o  353.915   7.0433  434.409   17.253  543.903   32.848  392.698   20.274  395.190   12.010  336.301   8.7104 58.88898 14.83588 
1 1 1  -12   30   15 o  270.286   6.6948  253.450   12.524  276.140   17.304  228.489   18.149  281.856   8.8703  256.199   10.235 25.65750 13.54411 
1 1 1  -12   30   16 o  212.048   8.5757  156.422   12.586  156.422   12.586   0.0000   0.0000  212.048   8.5757  ?   ?  0.000000 8.575747 
1 1 1  -12   30   17 o   69.857   19.207   18.004   9.5754   18.004   9.5754   0.0000   0.0000   69.857   19.207  ?   ?  0.000000 19.20745 
1 1 1  -12   30   18 o  140.669   9.7792   69.540   9.4617   66.393   10.720   80.634   20.128  137.054   11.405  148.112   20.159 -11.05814 23.16123 
1 1 1  -12   30   19 o   35.202   16.269  -6.8808   9.3101 -10.6711   10.622   5.6780   19.336   35.532   16.733   62.819   26.355 -27.28694 31.21800 
1 1 1  -12   32    1 f  762.619   8.7731  2013.42   46.306   0.0000   0.0000  2013.42   46.306  ?   ?   762.619   8.7731 0.000000 8.773072 
1 1 1  -12   32    2 o  1527.49   14.964  8083.63  158.194  8083.63  158.194   0.0000   0.0000  1527.49   14.964  ?   ?  0.000000 14.96353 
1 1 1  -12   32    3 o  931.935   7.0785  3006.31   45.656  2904.19   62.441  3123.63   66.928  915.856   9.8507  949.810   10.181 -33.95361 14.16650 
1 1 1  -12   32    4 o  310.095   10.623  332.976   22.798  332.976   22.798   0.0000   0.0000  310.095   10.623  ?   ?  0.000000 10.62255 
1 1 1  -12   32    5 o  447.536   5.9035  693.263   18.286  682.598   22.225  715.610   32.172  444.056   7.2314  454.592   10.225 -10.53607 12.52393 
1 1 1  -12   32    7 o  160.696   8.7004   89.681   9.6405   90.550   13.125   88.664   14.206  161.232   11.845  159.427   12.988 1.805206 17.57784 
1 1 1  -12   32    8 f  517.019   7.8949  925.603   28.251   0.0000   0.0000  925.603   28.251  ?   ?   517.019   7.8949 0.000000 7.894917 
1 1 1  -12   32    9 o  469.671   5.5276  763.645   17.968  770.694   24.778  755.826   26.096  471.758   7.5886  467.164   8.0709 4.593506 11.07821 
1 1 1  -12   32   10 f  476.047   5.5296  784.602   18.219  778.809   24.856  791.330   26.783  474.189   7.5735  477.955   8.0965 -3.766632 11.08655 
1 1 1  -12   32   11 o  381.207   6.5104  503.340   17.177  482.463   19.801  566.829   34.530  373.152   7.6668  404.061   12.347 -30.90851 14.53402 
1 1 1  -12   32   12 o  257.208   6.5880  229.228   11.728  237.717   16.177  219.824   17.027  261.788   8.9282  251.685   9.7746 10.10300 13.23843 
1 1 1  -12   32   13 o   87.773   15.523   27.685   9.0853   23.870   12.274   32.309   13.512   80.923   21.536   94.004   21.266 -13.08157 30.26576 
1 1 1  -12   32   14 o  273.274   6.4604  258.958   12.219  263.967   16.915  253.491   17.671  275.657   8.8659  270.061   9.4539 5.596222 12.96071 
1 1 1  -12   32   15 o  304.882   6.2239  322.439   13.133  339.613   18.534  305.118   18.613  312.563   8.5674  296.182   9.0798 16.38092 12.48378 
1 1 1  -12   32   16 o  118.314   12.354   49.527   9.9670   51.499   12.922   46.631   15.661  119.817   15.980  112.558   20.872 7.259064 26.28709 
1 1 1  -12   32   17 o   46.491   18.552   4.2013   8.9975  -1.6310   10.004   28.893   20.584   41.774   18.256   88.570   29.066 -46.79545 34.32347 
1 1 1  -12   32   18 o  142.761   9.8176   71.683   9.6415   72.339   10.850   69.220   21.021  143.115   11.039  135.481   23.256 7.633835 25.74265 
1 1 1  -12   34    1 o  522.083   5.2773  943.393   19.069  881.360   25.754  1018.68   28.372  504.589   7.3744  542.470   7.5567 -37.88101 10.55863 
1 1 1  -12   34    2 o  905.033   8.0038  2835.53   50.134  2678.05   82.014  2929.49   63.349  879.247   13.477  919.814   9.9509 -40.56653 16.75272 
1 1 1  -12   34    3 o  917.307   7.0202  2912.77   44.570  2781.69   60.286  3070.77   66.189  896.307   9.7181  941.705   10.155 -45.39752 14.05601 
1 1 1  -12   34    4 o  739.525   7.0420  1893.19   36.043  1896.66   44.231  1886.34   62.184  740.141   8.6346  737.947   12.175 2.193604 14.92616 
1 1 1  -12   34    6 o  313.837   5.7143  340.935   12.412  333.752   17.290  348.572   17.828  310.472   8.0465  317.289   8.1186 -6.817047 11.43057 
1 1 1  -12   34    7 o  576.775   6.4975  1151.69   25.938  1159.02   44.213  1147.84   32.028  578.391   11.045  575.749   8.0375 2.641846 13.65967 
1 1 1  -12   34    8 o  702.683   6.0921  1709.41   29.628  1666.93   40.644  1757.58   43.282  693.763   8.4645  712.356   8.7787 -18.59338 12.19485 
1 1 1  -12   34    9 o  331.603   5.7828  380.702   13.272  378.029   17.969  383.911   19.687  330.371   7.8587  332.905   8.5445 -2.534210 11.60889 
1 1 1  -12   34   10 o  311.978   5.9711  337.042   12.893  337.442   17.380  336.551   19.227  312.078   8.0465  311.623   8.9146 0.4551086 12.00902 
1 1 1  -12   34   11 o  125.206   17.426   55.695   14.691   0.0000   0.0000   55.695   14.691  ?   ?   125.206   17.426 0.000000 17.42583 
1 1 1  -12   34   12 o  313.555   5.9646  340.636   12.944  361.296   17.979  318.403   18.651  322.766   8.0482  302.929   8.8956 19.83716 11.99611 
1 1 1  -12   34   13 o  126.863   13.476   56.745   11.651   39.010   21.632   63.992   13.828  102.883   29.086  134.507   15.116 -31.62430 32.77906 
1 1 1  -12   34   14 o  246.106   6.7829  210.121   11.554  224.145   16.129  195.340   16.558  253.926   9.1774  236.936   10.097 16.98964 13.64477 
1 1 1  -12   34   15 o   99.625   13.910   35.439   9.3294   31.276   12.444   40.781   14.097   92.126   20.083  105.511   20.038 -13.38441 28.36978 
1 1 1  -12   34   16 o  121.647   14.296   52.765   11.807   49.301   12.802   72.488   30.544  117.025   16.244  136.221   32.791 -19.19646 36.59459 
1 1 1  -12   34   17 o  129.212   11.261   58.968   9.9701   67.506   11.166   25.400   22.141  138.187   11.788   85.158   30.100 53.02826 32.32615 
1 1 1  -12   34   18 o   46.344   19.791   0.7190   11.233   1.8907   13.913  -1.4751   19.038   52.163   22.144   57.261   25.100 -5.098267 33.47237 
1 1 1  -12   36    1 o  834.456   9.2801  2410.99   53.596  2410.99   53.596   0.0000   0.0000  834.456   9.2801  ?   ?  0.000000 9.280101 
1 1 1  -12   36    2 o  1232.13   8.8075  5256.36   75.108  5057.13  101.976  5492.58  111.040  1208.27   12.194  1259.16   12.742 -50.88782 17.63660 
1 1 1  -12   36    3 o   60.626   19.458   12.410   9.2535  -8.7268   13.956   28.992   12.361   45.041   20.478   89.625   20.387 -44.58381 28.89651 
1 1 1  -12   36    4 o  225.747   6.6614  176.416   10.408  177.846   14.303  174.808   15.174  226.626   9.1187  224.672   9.7583 1.954025 13.35576 
1 1 1  -12   36    5 o  242.347   6.5652  203.320   11.012  196.202   15.214  211.152   15.959  238.025   9.2351  246.924   9.3384 -8.899521 13.13364 
1 1 1  -12   36    6 o  162.397   12.948   91.989   14.433   0.0000   0.0000   91.989   14.433  ?   ?   162.397   12.948 0.000000 12.94834 
1 1 1  -12   36    7 o  345.030   7.8618  412.242   18.774  412.242   18.774   0.0000   0.0000  345.030   7.8618  ?   ?  0.000000 7.861752 
1 1 1  -12   36    8 o  1115.20   8.1798  4307.58   63.135  4267.73   88.161  4349.54   90.456  1109.55   11.480  1120.11   11.668 -10.55200 16.36892 
1 1 1  -12   36    9 o   96.315   14.823   32.966   9.5643   41.213   12.586   21.697   14.713  107.483   17.523   78.928   24.431 28.55526 30.06587 
1 1 1  -12   36   10 o  128.128   12.841   57.591   11.234   51.877   12.605   79.659   24.772  121.157   15.378  148.734   24.948 -27.57742 29.30667 
1 1 1  -12   36   11 o  393.822   5.6046  537.225   15.276  543.966   20.837  529.390   22.463  396.129   7.6000  390.720   8.3068 5.409088 11.25887 
1 1 1  -12   36   12 f  298.057   7.4077  308.073   15.281  316.829   26.027  303.466   18.878  301.687   12.465  295.650   9.2256 6.036804 15.50757 
1 1 1  -12   36   13 o  215.348   7.1006  160.871   10.583  178.107   14.750  142.580   15.194  226.385   9.4135  202.117   10.902 24.26793 14.40373 
1 1 1  -12   36   14 o  468.377   5.6280  760.602   18.244  795.799   25.385  722.995   26.239  478.707   7.6617  456.144   8.3113 22.56323 11.30394 
1 1 1  -12   36   15 o  134.564   10.559   63.557   9.7546   65.334   13.012   61.277   14.739  135.720   14.056  130.743   16.668 4.976959 21.80310 
1 1 1  -12   36   16 o   71.682   18.717   19.020   9.3860   21.956   12.024   14.440   15.017   76.896   21.665   67.926   24.694 8.970306 32.85059 
1 1 1  -12   36   17 o   43.481   17.681   3.0090   8.3423   1.9588   9.2295   7.6976   19.501   43.947   18.305   65.506   26.880 -21.55972 32.52083 
1 1 1  -12   36   18 o   86.160   17.748   27.746   10.231   29.402   11.768   22.620   20.708   88.114   19.781   80.017   29.011 8.097389 35.11319 
1 1 1  -12   38    1 f  725.959   6.1059  1824.29   30.679  1735.44   41.547  1930.82   45.494  707.966   8.4791  746.741   8.8025 -38.77502 12.22207 
1 1 1  -12   38    2 o  895.272   6.9441  2774.74   43.028  2649.35   58.035  2927.80   64.120  874.660   9.5868  919.441   10.076 -44.78125 13.90806 
1 1 1  -12   38    3 o  445.938   6.1179  688.384   18.882  667.223   22.686  736.097   34.065  438.997   7.4667  460.988   10.677 -21.99057 13.02877 
1 1 1  -12   38    4 o  338.910   6.4433  397.628   15.114  396.829   24.777  398.101   19.073  338.464   10.577  339.075   8.1272 -0.6110535 13.33880 
1 1 1  -12   38    5 o   92.110   17.221   30.398   10.575   24.572   12.705   43.537   19.079   82.614   21.874  109.637   25.607 -27.02261 33.67767 
1 1 1  -12   38    6 o  374.523   6.5743  485.635   17.041  481.073   29.148  488.005   21.006  372.586   11.303  375.389   8.0849 -2.803650 13.89701 
1 1 1  -12   38    8 o  475.232   5.5583  781.943   18.282  788.893   25.295  774.342   26.453  477.232   7.6582  472.785   8.0841 4.447510 11.13561 
1 1 1  -12   38    9 o  186.002   9.4607  120.260   12.139  125.072   14.240  107.463   23.221  189.561   10.899  174.450   19.570 15.11099 22.40047 
1 1 1  -12   38   10 o  433.954   6.4773  652.432   19.454  658.537   32.062  648.876   24.474  435.554   10.636  432.622   8.1739 2.931885 13.41394 
1 1 1  -12   38   11 o  142.208   10.210   70.594   9.9823   58.849   13.330   85.589   15.062  129.015   15.222  156.107   14.093 -27.09152 20.74377 
1 1 1  -12   38   12 o  367.480   5.6789  467.971   14.444  474.236   19.731  460.739   21.201  369.714   7.7109  364.326   8.4078 5.387390 11.40834 
1 1 1  -12   38   13 o  216.691   10.501  163.449   15.749   0.0000   0.0000  163.449   15.749  ?   ?   216.691   10.501 0.000000 10.50134 
1 1 1  -12   38   14 o  321.037   5.9436  357.494   13.206  360.396   17.864  353.998   19.611  322.031   8.0151  319.006   8.8822 3.024567 11.96391 
1 1 1  -12   38   15 o   59.349   21.016   11.183   10.798   8.5528   11.809   24.600   26.671   56.951   21.662   88.187   32.764 -31.23597 39.27776 
1 1 1  -12   38   16 o   41.490   17.913  -0.5852   9.3912  -3.5160   11.783   4.5193   15.550   43.767   19.441   57.652   23.865 -13.88477 30.78153 
1 1 1  -12   38   17 o   50.384   20.730   3.7553   11.637  -5.0585   19.209   8.8655   14.626   55.218   24.655   60.402   23.795 -5.184471 34.26486 
1 1 1  -12   40    1 o  544.308   5.4954  1025.54   20.703  992.710   28.399  1062.78   30.244  535.456   7.6630  554.023   7.8874 -18.56702 10.99691 
1 1 1  -12   40    2 o  380.001   5.5268  499.848   14.536  487.245   19.838  514.458   21.359  375.132   7.6408  385.455   8.0064 -10.32330 11.06723 
1 1 1  -12   40    3 o  311.942   5.8124  336.849   12.549  325.375   16.941  350.802   18.680  306.539   7.9848  318.278   8.4801 -11.73956 11.64773 
1 1 1  -12   40    4 o  783.737   6.4330  2126.54   34.895  2083.47   48.383  2173.24   50.374  775.599   9.0132  792.117   9.1884 -16.51843 12.87107 
1 1 1  -12   40    5 o  639.970   8.3077  1418.44   36.797   0.0000   0.0000  1418.44   36.797  ?   ?   639.970   8.3077 0.000000 8.307669 
1 1 1  -12   40    6 o   66.107   19.753   15.359   9.7322   14.623   13.399   16.182   14.159   68.048   23.458   70.923   24.123 -2.874901 33.64798 
1 1 1  -12   40    7 o  790.064   6.4915  2161.55   35.496  2148.58   49.768  2174.97   50.642  787.430   9.1319  792.239   9.2359 -4.808777 12.98818 
1 1 1  -12   40    8 o  409.321   5.5140  580.155   15.621  565.369   21.146  597.917   23.176  403.962   7.5633  415.394   8.0613 -11.43259 11.05387 
1 1 1  -12   40    9 o  148.683   9.8350   77.027   10.064   65.823   13.323   91.915   15.357  136.823   14.279  161.991   13.830 -25.16771 19.87888 
1 1 1  -12   40   10 o  230.305   7.8391  183.915   12.495  175.299   15.112  202.537   22.217  224.726   9.7160  240.860   13.380 -16.13402 16.53566 
1 1 1  -12   40   11 o  258.700   7.7749  232.159   13.921  221.219   23.278  238.251   17.369  251.582   13.417  261.908   9.5820 -10.32552 16.48728 
1 1 1  -12   40   12 f  226.728   6.9279  178.310   10.871  191.399   14.815  163.039   16.002  234.700   9.1203  216.452   10.682 18.24803 14.04570 
1 1 1  -12   40   13 o   72.138   17.921   19.065   8.9075   15.538   11.611   24.110   13.886   67.036   21.822   81.180   23.420 -14.14398 32.01050 
1 1 1  -12   40   14 o   38.422   17.580  -6.8501   10.496  -4.4699   11.557 -18.0634   25.084   42.712   19.094   57.611   26.654 -14.89887 32.78698 
1 1 1  -12   40   15 f  162.579   8.9238   92.391   10.003   78.599   13.001  112.398   15.659  149.115   12.719  178.493   12.760 -29.37776 18.01644 
1 1 1  -12   40   16 o   84.162   16.963   26.116   9.5393   32.566   12.301   16.386   15.109   93.461   19.641   70.074   24.855 23.38700 31.67831 
1 1 1  -12   40   17 o   58.039   19.697   11.624   9.4395   21.758   12.686  -0.9448   14.129   75.867   22.526   49.947   21.765 25.92054 31.32312 
1 1 1  -12   42    1 o  1110.17   8.1396  4268.00   62.542  4182.27   86.550  4361.69   90.475  1098.60   11.383  1121.88   11.652 -23.28162 16.28934 
1 1 1  -12   42    2 o  991.174   8.6388  3402.49   59.263  3305.49   70.416  3638.05  109.729  976.765   10.416  1024.00   15.483 -47.23419 18.66025 
1 1 1  -12   42    3 o  320.089   5.8790  354.699   13.024  343.194   17.896  367.657   18.991  314.795   8.2137  325.815   8.4218 -11.02005 11.76400 
1 1 1  -12   42    4 o  116.517   12.208   47.582   9.6990   30.402   12.999   69.162   14.568   91.669   20.946  140.349   15.243 -48.67961 25.90494 
1 1 1  -12   42    5 o  307.886   5.9026  328.202   12.578  336.276   17.587  319.747   17.996  311.581   8.1553  303.812   8.5586 7.768921 11.82193 
1 1 1  -12   42    6 o  294.715   7.0143  300.820   14.308  328.098   23.827  285.438   17.892  307.592   11.192  287.004   9.0075 20.58710 14.36657 
1 1 1  -12   42    7 o  296.126   12.577  304.439   25.777  304.439   25.777   0.0000   0.0000  296.126   12.577  ?   ?  0.000000 12.57697 
1 1 1  -12   42    8 o  225.721   8.0614  176.606   12.594  182.785   14.870  160.927   23.686  229.570   9.3587  214.352   16.083 15.21814 18.60749 
1 1 1  -12   42    9 o   63.988   19.264   14.456   9.2310   1.0582   12.210   32.333   14.104   49.569   20.877   94.104   22.041 -44.53501 30.35900 
1 1 1  -12   42   10 o  280.527   9.4293  273.245   18.308   0.0000   0.0000  273.245   18.308  ?   ?   280.527   9.4293 0.000000 9.429330 
1 1 1  -12   42   11 o  236.371   6.7785  193.752   11.089  201.245   14.913  184.485   16.585  240.710   8.9517  230.322   10.404 10.38873 13.72491 
1 1 1  -12   42   12 o  180.331   8.2745  112.960   10.327  121.431   13.844  102.332   15.507  186.420   10.776  170.641   13.234 15.77985 17.06594 
1 1 1  -12   42   13 o   60.522   19.123   12.845   8.9647   19.237   11.952   4.6245   13.554   72.935   21.912   55.189   22.501 17.74588 31.40725 
1 1 1  -12   42   14 o  131.879   10.279   61.060   9.3084   63.696   12.092   57.226   14.584  134.106   13.199  126.024   17.167 8.081657 21.65421 
1 1 1  -12   42   15 o  194.550   10.032  132.616   13.462  132.616   13.462   0.0000   0.0000  194.550   10.032  ?   ?  0.000000 10.03181 
1 1 1  -12   42   16 o  113.075   15.862   46.383   12.072   48.195   20.086   45.358   15.104  111.401   26.446  110.173   20.565 1.227821 33.50108 
1 1 1  -12   44    1 f  407.857   7.6492  576.084   21.592  576.084   21.592   0.0000   0.0000  407.857   7.6492  ?   ?  0.000000 7.649209 
1 1 1  -12   44    2 o  507.720   5.5348  892.425   19.449  880.926   26.791  905.239   28.280  504.344   7.6750  511.240   7.9925 -6.895630 11.08085 
1 1 1  -12   44    3 o  497.690   5.5204  857.536   19.015  852.797   26.606  862.485   27.187  496.209   7.7471  499.013   7.8717 -2.803558 11.04450 
1 1 1  -12   44    4 o  236.130   8.1617  193.154   13.339  186.293   23.494  196.417   16.203  231.158   14.762  238.060   9.8342 -6.901611 17.73767 
1 1 1  -12   44    5 o  431.433   5.4774  644.482   16.356  618.900   22.514  673.071   23.800  422.672   7.6961  440.776   7.8016 -18.10336 10.95877 
1 1 1  -12   44    6 o  303.164   5.9675  318.299   12.521  315.355   17.111  321.692   18.371  301.657   8.1957  304.645   8.7129 -2.987457 11.96183 
1 1 1  -12   44    7 o  392.376   6.5386  533.371   17.757  568.781   29.902  514.081   22.070  404.821   10.672  385.087   8.2805 19.73370 13.50787 
1 1 1  -12   44    8 o  692.659   8.7359  1664.19   41.880   0.0000   0.0000  1664.19   41.880  ?   ?   692.659   8.7359 0.000000 8.735896 
1 1 1  -12   44    9 o  485.412   7.7202  817.172   25.937  817.172   25.937   0.0000   0.0000  485.412   7.7202  ?   ?  0.000000 7.720218 
1 1 1  -12   44   10 o  205.731   9.0520  146.993   12.889  135.415   20.683  154.345   16.480  196.227   15.351  210.295   11.365 -14.06862 19.10065 
1 1 1  -12   44   11 o  207.280   7.4889  149.117   10.744  136.933   14.186  165.505   16.453  198.098   10.383  217.743   10.952 -19.64438 15.09142 
1 1 1  -12   44   12 o  145.705   9.6672   74.215   9.6935   81.629   12.782   64.180   14.871  152.401   12.221  134.128   16.358 18.27275 20.41897 
1 1 1  -12   44   13 o   96.007   17.218   33.529   11.020   32.759   12.157   37.073   26.099   94.386   19.263  100.274   32.720 -5.887825 37.96902 
1 1 1  -12   44   14 f  120.205   11.600   51.058   9.5305   62.833   12.552   35.032   14.644  132.926   13.847   96.663   22.338 36.26285 26.28144 
1 1 1  -12   44   15 o   82.545   19.654   25.491   11.067   26.102   17.623   25.093   14.221   83.819   26.847   81.671   23.741 2.148804 35.83832 
1 1 1  -12   44   16 o   45.003   18.608   2.6263   9.4375  -1.4151   12.162   8.7434   14.963   46.042   20.125   60.510   23.994 -14.46792 31.31674 
1 1 1  -12   46    1 o  543.089   5.6201  1021.21   21.125  1004.12   29.138  1040.14   30.671  538.398   7.8195  547.949   8.0874 -9.550964 11.24948 
1 1 1  -12   46    2 f  135.107   11.758   63.795   10.886   63.835   13.181   63.707   19.305  134.827   14.345  133.485   21.637 1.342606 25.96025 
1 1 1  -12   46    3 o  603.318   5.7753  1260.40   24.116  1260.98   33.880  1259.80   34.333  603.278   8.1143  602.984   8.2268 0.2942505 11.55522 
1 1 1  -12   46    4 o  441.044   5.4996  673.565   16.788  660.809   23.152  687.710   24.378  436.720   7.6595  445.503   7.9064 -8.783020 11.00814 
1 1 1  -12   46    5 o  266.092   6.4097  245.261   11.805  252.587   16.214  236.997   17.220  269.930   8.6788  261.421   9.5172 8.509247 12.88021 
1 1 1  -12   46    6 o  399.165   5.5031  551.832   15.203  538.859   20.878  566.479   22.183  394.295   7.6504  404.250   7.9285 -9.955170 11.01771 
1 1 1  -12   46    7 o  290.437   6.1036  292.252   12.269  302.250   16.893  281.090   17.849  295.220   8.2676  284.637   9.0605 10.58286 12.26560 
1 1 1  -12   46    8 o  383.680   11.081  511.707   29.424  511.707   29.424   0.0000   0.0000  383.680   11.081  ?   ?  0.000000 11.08059 
1 1 1  -12   46    9 o  222.859   8.6680  172.424   13.370  143.171   22.350  188.726   16.684  201.657   16.149  232.998   10.346 -31.34137 19.17870 
1 1 1  -12   46   10 o   82.813   16.540   24.884   9.1484   25.270   11.807   24.305   14.472   82.968   20.644   81.834   23.996 1.134613 31.65389 
1 1 1  -12   46   11 o  191.057   7.6290  126.755   10.088  134.539   13.467  116.802   15.229  196.353   9.9419  182.533   12.123 13.81918 15.67839 
1 1 1  -12   46   12 o  166.089   8.7284   96.233   9.9984  102.741   13.047   86.973   15.564  171.221   11.069  156.737   14.512 14.48412 18.25122 
1 1 1  -12   46   13 o   87.249   15.589   27.640   9.0682   28.026   11.922   27.111   13.968   86.865   20.211   85.186   23.106 1.678864 30.69814 
1 1 1  -12   46   14 o  125.771   11.214   55.848   9.6595   61.321   12.657   48.215   14.947  131.093   14.176  114.446   19.574 16.64685 24.16856 
1 1 1  -12   46   15 o   34.819   16.185  -7.8684   9.4144 -26.1570   12.727   14.231   13.990   32.415   15.969   66.146   23.867 -33.73121 28.71633 
1 1 1  -12   48    1 o  531.064   5.5875  976.634   20.537  954.703   28.440  1000.53   29.688  524.898   7.8286  537.336   7.9829 -12.43707 11.18094 
1 1 1  -12   48    2 o  453.970   5.4966  713.665   17.270  721.617   24.128  705.311   24.731  456.348   7.6391  451.141   7.9204 5.207550 11.00404 
1 1 1  -12   48    3 o  473.696   6.3434  777.255   20.797  778.586   25.538  774.634   35.834  473.986   7.7847  472.446   10.959 1.539520 13.44245 
1 1 1  -12   48    4 o  227.705   6.9281  179.654   10.919  181.636   14.585  177.128   16.468  228.846   9.2085  225.912   10.532 2.934677 13.99031 
1 1 1  -12   48    5 o  238.110   6.7559  196.463   11.134  191.134   15.096  202.819   16.486  234.719   9.2926  241.750   9.8533 -7.030518 13.54399 
1 1 1  -12   48    6 o  103.991   15.071   38.467   10.531   38.737   12.522   37.815   19.462  103.789   18.090  101.551   27.162 2.237419 32.63434 
1 1 1  -12   48    7 f  218.782   8.3122  166.069   12.586  183.951   20.826  155.777   15.798  229.445   13.169  211.432   10.832 18.01379 17.05199 
1 1 1  -12   48    8 o   72.849   20.556   19.202   10.816   15.950   12.602   28.298   21.074   68.696   22.752   90.060   29.403 -21.36424 37.17768 
1 1 1  -12   48    9 o  112.710   14.669   45.150   11.172   19.673   17.861   61.522   14.318   77.701   27.067  131.561   16.058 -53.86002 31.47168 
1 1 1  -12   48   10 o  416.916   5.6305  602.607   16.247  619.802   22.596  584.203   23.377  422.483   7.7276  410.076   8.2366 12.40765 11.29416 
1 1 1  -12   48   11 o  184.238   8.1010  117.983   10.330  104.431   13.851  134.966   15.506  172.545   11.667  196.296   11.463 -23.75111 16.35612 
1 1 1  -12   48   12 o   55.778   19.426   10.038   9.2003   4.8856   11.885   17.741   14.532   52.595   21.205   72.017   24.439 -19.42179 32.35603 
1 1 1  -12   48   13 o  218.150   9.7466  166.148   14.716  166.148   14.716   0.0000   0.0000  218.150   9.7466  ?   ?  0.000000 9.746638 
1 1 1  -12   48   14 o   75.497   20.230   21.333   10.784 -12.9951   17.918   40.831   13.504   48.525   22.477  105.004   19.293 -56.47873 29.62141 
1 1 1  -12   48   15 f   52.124   19.542   7.8010   9.5299  -7.6651   12.260   31.415   15.149   41.186   18.902   90.181   23.890 -48.99506 30.46318 
1 1 1  -12   50    1 o  317.754   5.7872  349.727   12.727  327.974   17.259  375.657   18.843  307.577   8.1075  329.166   8.2711 -21.58844 11.58202 
1 1 1  -12   50    2 o  343.604   6.6106  409.075   15.721  395.902   26.914  415.897   19.368  337.601   11.519  346.352   8.0797 -8.750275 14.06989 
1 1 1  -12   50    3 o  225.921   6.9630  176.886   10.888  190.238   15.050  162.224   15.770  234.161   9.2862  216.153   10.542 18.00764 14.04839 
1 1 1  -12   50    4 o  121.087   13.026   51.596   10.745   51.612   12.900   51.561   19.418  120.630   15.833  118.843   24.424 1.787216 29.10682 
1 1 1  -12   50    5 o  204.652   7.2631  145.206   10.288  142.756   13.867  148.204   15.343  202.758   9.8815  206.245   10.786 -3.486511 14.62790 
1 1 1  -12   50    6 o  464.630   5.5203  747.960   17.752  722.072   24.193  778.155   26.128  456.267   7.6612  473.610   7.9710 -17.34283 11.05580 
1 1 1  -12   50    7 f   54.515   20.221   8.1762   10.151   22.641   12.240 -23.6976   18.169   78.846   21.731   44.360   21.176 34.48591 30.34200 
1 1 1  -12   50    8 o  171.781   10.080  102.981   11.932   78.439   19.416  117.873   15.125  147.978   19.427  183.523   11.973 -35.54488 22.82083 
1 1 1  -12   50    9 o  353.576   5.7683  433.444   14.116  412.698   19.144  458.162   20.896  344.706   8.0243  363.148   8.3140 -18.44193 11.55472 
1 1 1  -12   50   10 o  154.917   10.792   84.081   11.499   68.829   17.768   95.072   15.083  138.181   19.088  164.262   13.383 -26.08037 23.31231 
1 1 1  -12   50   11 o  105.161   15.618   39.776   11.022   40.712   12.580   36.688   22.863  105.852   17.804   98.964   30.426 6.888336 35.25198 
1 1 1  -12   50   12 o  213.730   7.3100  158.831   10.813  161.368   14.538  155.689   16.178  215.031   9.7684  210.664   11.135 4.366455 14.81272 
1 1 1  -12   50   13 o   70.494   18.657   18.454   9.2447   24.744   12.721   11.412   13.458   81.147   22.067   62.320   23.250 18.82734 32.05519 
1 1 1  -12   50   14 o  147.184   9.7531   76.184   9.8790   83.534   13.894   68.668   14.049  153.154   13.238  138.207   14.924 14.94646 19.94933 
1 1 1  -12   52    1 o  238.936   7.2664  197.917   12.016  183.415   19.233  207.202   15.390  229.331   12.161  244.353   9.1000 -15.02205 15.18851 
1 1 1  -12   52    2 o  282.438   5.9703  276.394   11.671  272.073   16.035  281.261   17.019  280.062   8.2723  284.722   8.6364 -4.659149 11.95903 
1 1 1  -12   52    3 o  376.935   5.5042  492.219   14.359  496.217   19.960  487.930   20.673  378.272   7.6241  375.064   7.9637 3.208008 11.02487 
1 1 1  -12   52    4 o   65.294   18.842   15.283   8.9873   12.021   12.095   19.305   13.429   62.604   22.235   74.279   23.399 -11.67453 32.27800 
1 1 1  -12   52    5 o  312.393   7.9847  338.618   17.264  338.618   17.264   0.0000   0.0000  312.393   7.9847  ?   ?  0.000000 7.984716 
1 1 1  -12   52    6 o  229.025   6.8591  181.908   10.872  167.205   14.530  200.617   16.390  219.349   9.5706  240.236   9.8572 -20.88751 13.73901 
1 1 1  -12   52    7 o  121.815   11.450   52.143   9.5404   60.794   12.905   41.717   14.167  131.071   14.467  107.104   19.843 23.96674 24.55656 
1 1 1  -12   52    8 o  153.222   13.874   82.792   14.553   0.0000   0.0000   82.792   14.553  ?   ?   153.222   13.874 0.000000 13.87358 
1 1 1  -12   52    9 o  251.538   6.6744  219.593   11.620  221.590   15.785  217.230   17.167  252.374   9.0368  249.742   9.9320 2.633072 13.42795 
1 1 1  -12   52   10 o  206.243   8.9808  148.087   12.819  130.781   21.482  157.660   15.976  191.841   16.334  212.229   10.913 -20.38704 19.64476 
1 1 1  -12   52   11 o  279.660   7.3377  271.906   14.203  262.829   22.012  278.381   18.590  274.003   11.607  282.527   9.5071 -8.524445 15.00360 
1 1 1  -12   52   12 o  232.236   6.9087  187.531   11.105  177.883   14.620  200.688   17.072  225.736   9.3578  239.551   10.297 -13.81519 13.91388 
1 1 1  -12   52   13 o  158.260   10.678   88.223   11.627   95.122   19.153   84.197   14.632  162.116   17.339  153.650   13.910 8.465912 22.22906 
1 1 1  -12   54    1 o  166.057   9.8112   96.128   11.226   97.854   20.194   95.357   13.505  166.169   17.838  165.103   11.898 1.066940 21.44169 
1 1 1  -12   54    2 o   61.316   19.753   12.889   9.5292   22.483   14.848   6.1686   12.426   79.559   24.529   55.442   21.903 24.11649 32.88519 
1 1 1  -12   54    3 o  192.699   7.6135  128.825   10.154  130.288   13.911  127.156   14.856  193.300   10.436  190.831   11.298 2.468948 15.38087 
1 1 1  -12   54    4 o  354.398   6.5299  435.493   16.017  444.891   19.081  413.073   29.472  358.065   7.6993  344.284   12.368 13.78085 14.56892 
1 1 1  -12   54    5 o  419.156   5.5849  608.932   16.202  619.649   22.739  597.879   23.091  422.524   7.7758  414.992   8.0395 7.531158 11.18469 
1 1 1  -12   54    6 o  110.502   12.276   43.110   9.2300   47.909   12.008   36.181   14.430  115.959   15.338   99.173   21.632 16.78595 26.51784 
1 1 1  -12   54    7 o  152.362   8.9861   80.997   9.4341   70.645   12.367   95.404   14.590  141.638   12.753  164.736   12.899 -23.09785 18.13912 
1 1 1  -12   54    8 f  192.613   7.7193  128.894   10.291  125.733   13.707  132.976   15.578  189.638   10.484  194.819   11.606 -5.181366 15.64003 
1 1 1  -12   54    9 o  176.643   8.4543  108.557   10.336  116.928   14.005   98.543   15.318  182.641   11.132  167.124   13.354 15.51759 17.38567 
1 1 1  -12   54   10 o  168.473   9.8620   99.365   11.449  103.727   13.460   87.951   21.775  171.820   11.383  155.378   20.768 16.44176 23.68291 
1 1 1  -12   54   11 o  138.473   10.513   67.443   10.001   60.746   13.539   75.484   14.836  130.179   15.320  145.400   14.956 -15.22099 21.40952 
1 1 1  -12   54   12 o  144.116   15.001   74.434   14.744   0.0000   0.0000   74.434   14.744  ?   ?   144.116   15.001 0.000000 15.00117 
1 1 1  -12   54   13 o   92.095   15.248   31.000   9.3792   35.304   12.484   25.423   14.211   97.081   19.260   81.556   23.740 15.52563 30.56992 
1 1 1  -12   56    1 o  105.706   12.460   39.484   8.9409   29.926   12.114   50.920   13.251   90.429   19.896  119.446   16.467 -29.01633 25.82619 
1 1 1  -12   56    2 o  312.001   5.7942  337.425   12.512  351.836   17.652  322.875   17.738  318.353   8.0113  304.921   8.4049 13.43222 11.61132 
1 1 1  -12   56    3 o   76.982   17.084   21.612   8.8646   18.355   12.183   25.275   12.922   71.915   22.227   82.973   22.105 -11.05872 31.34753 
1 1 1  -12   56    4 o  205.592   7.2419  146.686   10.305  162.344   14.138  128.938   15.052  216.072   9.4537  192.026   11.376 24.04564 14.79130 
1 1 1  -12   56    5 o  118.849   12.567   49.861   10.180   62.946   12.340   21.985   18.012  133.498   13.543   80.341   27.208 53.15697 30.39246 
1 1 1  -12   56    6 o  151.341   12.674   80.603   13.153   97.805   18.214   61.854   19.015  166.043   16.049  130.134   21.889 35.90942 27.14255 
1 1 1  -12   56    7 o  125.749   10.425   55.500   8.9914   57.522   11.818   52.722   13.855  127.420   13.612  121.124   16.995 6.296051 21.77379 
1 1 1  -12   56    8 o  174.715   8.2123  106.180   9.9305   93.818   12.952  123.809   15.468  163.432   11.525  187.755   11.965 -24.32378 16.61286 
1 1 1  -12   56    9 o  146.556   11.306   75.572   11.379   78.016   13.047   67.805   23.261  148.580   12.812  134.198   25.983 14.38203 28.97047 
1 1 1  -12   56   10 o  255.958   6.7080  227.702   11.883  216.384   15.945  241.842   17.822  249.030   9.2513  263.144   9.7857 -14.11397 13.46651 
1 1 1  -12   56   11 o  146.016   10.248   74.993   10.291   72.343   13.739   78.380   15.532  142.366   14.130  147.829   15.407 -5.462936 20.90535 
1 1 1  -12   56   12 o  155.519   11.568   85.607   12.363   95.122   21.862   81.135   14.990  160.547   20.117  150.393   14.584 10.15416 24.84725 
1 1 1  -12   58    1 o  144.801   9.4971   73.240   9.4652   83.711   12.982   61.354   13.830  154.401   12.248  131.383   15.509 23.01776 19.76201 
1 1 1  -12   58    2 o   87.591   15.188   27.648   8.8738   25.284   11.887   30.625   13.337   82.856   20.769   91.094   21.499 -8.238029 29.89256 
1 1 1  -12   58    3 o  197.850   8.5417  136.058   11.697  137.252   14.015  133.317   21.230  198.267   10.249  194.176   15.938 4.090805 18.94850 
1 1 1  -12   58    4 o  178.358   12.024  111.581   14.756   0.0000   0.0000  111.581   14.756  ?   ?   178.358   12.024 0.000000 12.02351 
1 1 1  -12   58    5 o  131.370   10.227   60.499   9.2253   49.026   12.266   75.440   13.998  117.110   15.516  146.038   14.021 -28.92886 20.91241 
1 1 1  -12   58    6 f   48.978   18.473   6.3330   8.5420   10.563   11.478   1.0817   12.789   59.350   21.586   50.202   21.267 9.147991 30.30244 
1 1 1  -12   58    7 o   91.243   16.038   30.209   9.7582   35.628   11.347   14.820   19.122   98.985   17.186   72.673   27.584 26.31199 32.49954 
1 1 1  -12   58    8 o  119.229   11.285   50.170   9.2017   54.903   11.937   43.238   14.445  124.115   14.149  108.341   20.002 15.77399 24.49999 
1 1 1  -12   58    9 o  134.150   10.769   63.371   9.9144   82.821   13.469   40.367   14.648  152.965   12.841  104.088   21.056 48.87648 24.66239 
1 1 1  -12   58   10 o   57.392   19.595   11.117   9.3428   0.1612   12.593   24.531   13.934   48.540   20.848   80.761   23.507 -32.22046 31.41965 
1 1 1  -12   58   11 o   81.226   19.856   24.886   11.069   2.6844   17.068   41.001   14.541   57.722   24.517  104.358   20.862 -46.63598 32.19123 
1 1 1  -12   60    1 o  239.826   6.5582  199.611   10.886  184.697   14.674  217.861   16.233  230.374   9.2033  250.177   9.3751 -19.80307 13.13747 
1 1 1  -12   60    2 o  190.221   7.7502  125.729   10.203  119.922   13.366  133.837   15.796  185.178   10.472  195.406   11.734 -10.22780 15.72729 
1 1 1  -12   60    3 o  193.634   11.212  131.322   14.961   0.0000   0.0000  131.322   14.961  ?   ?   193.634   11.212 0.000000 11.21165 
1 1 1  -12   60    4 o   70.835   20.466   18.313   10.597   19.517   16.856   17.526   13.627   76.112   26.307   71.182   23.664 4.930252 35.38369 
1 1 1  -12   60    5 o  170.370   9.8313  101.533   11.543  105.268   19.165   99.406   14.460  171.913   16.303  168.010   12.526 3.903091 20.55880 
1 1 1  -12   60    6 o  122.663   10.848   52.980   9.1146   48.690   12.160   58.481   13.770  116.499   15.463  127.724   15.923 -11.22440 22.19526 
1 1 1  -12   60    7 o  105.629   12.469   39.676   8.9401   33.356   11.805   48.176   13.690   95.179   18.587  115.124   17.752 -19.94561 25.70234 
1 1 1  -12   60    8 o   99.234   17.714   36.105   11.720   36.105   11.720   0.0000   0.0000   99.234   17.714  ?   ?  0.000000 17.71415 
1 1 1  -12   60    9 o  144.449   10.071   73.371   10.006   81.491   13.586   63.744   14.792  151.474   13.087  132.804   16.445 18.66965 21.01696 
1 1 1  -12   60   10 o  153.671   9.7031   83.029   10.267   86.680   14.081   78.885   15.003  156.014   13.163  148.220   14.823 7.793655 19.82426 
1 1 1  -12   62    1 o  170.127   8.9712  101.061   10.526  101.207   12.649  100.732   18.981  169.909   10.813  168.080   16.530 1.829361 19.75254 
1 1 1  -12   62    2 o   88.801   14.922   28.484   8.8456   35.739   11.638   18.561   13.611   99.036   17.625   72.538   23.627 26.49761 29.47713 
1 1 1  -12   62    3 o  162.184   8.7854   91.861   9.8247  105.011   13.197   75.510   14.715  172.991   11.080  145.712   14.797 27.27910 18.48575 
1 1 1  -12   62    4 o   50.068   20.004   4.8325   10.473   16.912   17.320  -2.1309   13.150   73.101   26.528   47.784   20.906 25.31683 33.77516 
1 1 1  -12   62    5 o  226.022   7.8883  177.778   12.340  175.512   20.093  179.150   15.636  223.130   13.068  226.515   9.9736 -3.384460 16.43925 
1 1 1  -12   62    6 o  138.977   9.9214   67.807   9.4805   70.015   12.559   64.881   14.455  140.513   13.064  134.451   15.837 6.062164 20.53000 
1 1 1  -12   62    7 o  189.705   7.7277  125.318   10.146  131.093   13.728  118.367   15.062  193.295   10.299  183.207   11.944 10.08804 15.77098 
1 1 1  -12   62    8 o   47.974   18.528   5.6969   8.7271   14.082   11.678  -4.9090   13.134   64.030   21.907   45.156   20.258 18.87383 29.83818 
1 1 1  -12   62    9 o  193.193   8.7807  130.477   11.741  133.707   13.963  122.683   21.691  194.913   10.388  183.999   17.233 10.91360 20.12203 
1 1 1  -12   64    1 o  193.075   8.6074  129.863   11.502  124.998   13.256  144.683   23.136  188.908   10.177  201.300   16.758 -12.39148 19.60617 
1 1 1  -12   64    2 o  172.605   9.4994  104.258   11.304  121.268   17.059   90.939   15.095  185.223   13.397  160.167   13.750 25.05505 19.19772 
1 1 1  -12   64    3 o  115.668   11.760   47.366   9.2837   43.846   12.514   51.674   13.845  109.895   17.002  119.411   17.252 -9.516144 24.22209 
1 1 1  -12   64    4 o  178.117   7.9872  110.477   9.8464  118.257   13.563  101.808   14.318  183.520   10.725  169.847   12.262 13.67307 16.29039 
1 1 1  -12   64    6 o   86.246   18.191   27.618   10.517   34.039   16.692   23.391   13.542   94.205   25.136   78.965   23.228 15.23915 34.22517 
1 1 1  -12   64    7 o  169.926   8.5578  101.074   10.032  118.475   13.587   80.217   14.876  183.424   10.750  149.660   14.545 33.76450 18.08660 
1 1 1  -12   66    1 o   44.334   18.424   2.0748   9.3189   5.1352   12.754  -1.4298   13.649   53.957   21.892   49.086   21.391 4.871288 30.60770 
1 1 1  -12   66    2 o   70.287   20.185   18.293   10.336   24.035   12.352   4.8780   18.879   79.992   21.742   62.475   26.115 17.51712 33.98046 
1 1 1  -12   66    3 o   83.413   18.586   25.904   10.455   22.707   16.679   27.972   13.419   79.074   26.174   85.989   22.344 -6.914352 34.41436 
1 1 1  -12   66    4 f  133.979   10.364   63.250   9.5355   64.591   12.918   61.644   14.134  134.400   14.097  130.676   15.960 3.724289 21.29424 
1 1 1  -12   66    5 o  109.339   12.283   42.637   9.1345   53.403   12.468   30.166   13.420  121.665   15.134   89.085   21.916 32.57961 26.63400 
1 1 1  -12   66    6 o  132.068   12.231   62.059   11.053   69.925   13.208   43.683   20.188  139.737   13.839  105.231   27.436 34.50570 30.72889 
1 1 1  -12   68    1 o   32.105   15.290 -11.5344   9.3588 -10.9662   12.543 -12.2480   14.056   39.628   18.507   41.857   19.563 -2.229061 26.93021 
1 1 1  -12   68    2 o  134.578   12.553   64.449   11.557   65.659   18.150   63.624   14.989  132.998   20.366  132.321   16.742 0.6772308 26.36392 
1 1 1  -12   68    3 o   98.911   15.722   35.728   10.403   19.041   12.205   80.049   19.891   71.644   22.264  147.107   20.059 -75.46297 29.96752 
1 1 1  -11    1    1 o  1180.81   8.3517  4825.94   68.254  4820.22   96.452  4831.68   96.601  1180.00   11.810  1181.40   11.814 -1.401733 16.70492 
1 1 1  -11    1    2 o  902.513   6.7347  2819.09   42.068  2791.44   58.949  2847.78   60.052  898.020   9.4845  907.035   9.5659 -9.014709 13.47081 
1 1 1  -11    1    3 o  1407.43   9.7586  6857.11   95.059  6879.76  134.871  6834.75  134.001  1409.53   13.825  1404.91   13.781 4.614624 19.52046 
1 1 1  -11    1    4 o  879.384   6.6588  2676.66   40.528  2686.47   57.473  2666.97   57.157  880.902   9.4267  877.700   9.4091 3.202332 13.31896 
1 1 1  -11    1    5 o  988.501   7.3120  3382.75   50.025  3338.15   69.886  3429.62   71.639  981.777   10.285  995.128   10.401 -13.35114 14.62770 
1 1 1  -11    1    6 o  614.205   5.5025  1305.88   23.391  1288.39   32.777  1324.03   33.391  609.987   7.7638  618.365   7.8021 -8.377441 11.00680 
1 1 1  -11    1    7 o  1354.17   10.991  6352.67  103.009  6373.40  126.682  6312.19  176.968  1356.02   13.498  1348.44   18.962 7.577515 23.27575 
1 1 1  -11    1    8 o  592.142   7.9524  1213.89   32.591  1193.17   44.422  1238.05   47.964  586.958   10.935  597.865   11.591 -10.90747 15.93525 
1 1 1  -11    1    9 o  1545.57   10.687  8271.59  114.320  8220.98  160.567  8323.62  162.802  1540.37   15.061  1549.95   15.176 -9.571289 21.38117 
1 1 1  -11    1   10 o  1192.35   17.052  4926.83  140.722   0.0000   0.0000  4926.83  140.722  ?   ?   1192.35   17.052 0.000000 17.05223 
1 1 1  -11    1   12 o  180.443   8.3157  112.731   10.385  104.194   14.507  121.705   14.874  172.997   12.194  187.088   11.543 -14.09071 16.79100 
1 1 1  -11    1   13 o  646.971   6.0093  1449.00   26.908  1435.59   37.863  1462.68   38.248  643.860   8.4966  649.905   8.5033 -6.044373 12.02069 
1 1 1  -11    1   14 o   34.724   16.915 -23.7533   13.100 -17.0140   14.640 -50.8293   29.344   41.242   19.489   52.542   25.531 -11.30006 32.11928 
1 1 1  -11    1   16 o  186.818   8.7158  121.065   11.269  138.790   16.011  103.662   15.865  199.505   11.646  172.076   13.427 27.42938 17.77421 
1 1 1  -11    1   17 o  193.452   9.2484  129.987   12.383  131.561   18.644  128.745   16.564  193.665   14.004  191.826   12.545 1.838928 18.80116 
1 1 1  -11    1   18 o   46.066   19.056   2.2273   9.9041   11.568   13.969  -7.2145   14.044   63.886   23.716   45.781   20.707 18.10451 31.48377 
1 1 1  -11    1   19 o  141.222   11.357   70.134   11.007   67.578   15.451   72.767   15.683  137.372   16.587  142.732   16.160 -5.359879 23.15790 
1 1 1  -11    1   20 o   79.421   32.975   11.117   29.814   0.0000   0.0000   11.117   29.814  ?   ?    79.421   32.975 0.000000 32.97478 
1 1 1  -11    1   21 o  176.022   9.4565  108.783   11.478  109.192   16.126  108.363   16.342  175.097   13.409  174.338   13.653 0.7591400 19.13598 
1 1 1  -11    3    1 o  939.502   6.9307  3054.91   45.066  3095.92   64.598  3016.01   62.903  945.726   9.8691  933.445   9.7365 12.28131 13.86359 
1 1 1  -11    3    2 o  1104.70   7.9080  4223.90   60.463  4176.69   84.604  4273.17   86.440  1098.41   11.129  1111.02   11.241 -12.61023 15.81823 
1 1 1  -11    3    3 o  1035.27   7.5237  3709.68   53.909  3623.93   74.545  3803.70   78.053  1023.14   10.527  1048.20   10.759 -25.06067 15.05247 
1 1 1  -11    3    4 o  855.395   6.5353  2532.62   38.691  2516.60   54.393  2549.02   55.048  852.599   9.2176  858.071   9.2692 -5.471985 13.07222 
1 1 1  -11    3    5 o  649.191   5.5524  1458.79   24.948  1443.39   35.034  1474.63   35.534  645.680   7.8397  652.630   7.8669 -6.949951 11.10624 
1 1 1  -11    3    6 o  370.588   5.7040  475.412   14.630  487.805   24.937  468.907   18.066  375.275   9.6011  368.011   7.0928 7.263855 11.93690 
1 1 1  -11    3    7 o  315.815   7.4845  345.320   16.360  345.220   23.530  345.415   22.761  315.687   10.769  315.787   10.414 -0.9942627E-01 14.98097 
1 1 1  -11    3    8 o  822.677   6.5131  2342.75   37.085  2280.00   72.313  2365.14   43.197  811.260   12.879  826.559   7.5510 -15.29968 14.92940 
1 1 1  -11    3    9 o  605.312   11.075  1268.78   46.399  1268.78   46.399   0.0000   0.0000  605.312   11.075  ?   ?  0.000000 11.07533 
1 1 1  -11    3   10 o  1350.55   13.437  6317.57  125.604  6317.57  125.604   0.0000   0.0000  1350.55   13.437  ?   ?  0.000000 13.43739 
1 1 1  -11    3   11 o  442.107   6.0183  676.535   18.415  695.122   30.987  666.385   22.898  448.060   9.9922  438.753   7.5404 9.306671 12.51807 
1 1 1  -11    3   13 o  368.997   7.0399  471.411   17.979  465.319   21.056  487.805   34.542  366.570   8.2994  375.127   13.304 -8.556213 15.68057 
1 1 1  -11    3   14 o  818.700   6.7903  2320.95   38.476  2298.15   53.683  2345.04   55.174  814.424   9.5238  822.673   9.6901 -8.248718 13.58681 
1 1 1  -11    3   15 o  463.639   7.0506  744.669   22.625  783.415   42.788  729.632   26.656  474.949   13.017  458.834   8.3938 16.11496 15.48837 
1 1 1  -11    3   16 o  226.863   8.4201  178.503   13.221  171.234   17.191  189.024   20.683  221.720   11.240  232.752   12.890 -11.03191 17.10179 
1 1 1  -11    3   17 o  438.066   6.6252  665.363   20.087  659.851   25.625  674.146   32.350  435.980   8.4923  440.288   10.616 -4.308228 13.59485 
1 1 1  -11    3   18 o   68.301   18.401   17.020   8.8937   12.591   10.492   28.327   16.765   61.492   20.766   87.894   25.842 -26.40141 33.15152 
1 1 1  -11    3   19 o  275.163   6.2773  262.810   11.955  259.106   13.946  273.073   23.216  273.059   7.3793  279.363   12.007 -6.303864 14.09327 
1 1 1  -11    3   20 o   60.536   19.210   13.017   9.0390   17.412   10.538   0.7790   17.585   68.919   20.545   57.429   24.650 11.49012 32.08916 
1 1 1  -11    3   21 o   47.853   20.812  -0.8691   12.864  -0.8691   12.864   0.0000   0.0000   47.853   20.812  ?   ?  0.000000 20.81152 
1 1 1  -11    5    1 o  806.209   6.1902  2249.51   34.541  2203.18   47.973  2299.38   49.772  797.823   8.6879  815.052   8.8231 -17.22852 12.38252 
1 1 1  -11    5    2 o  1615.17   11.047  9031.18  123.489  9059.36  175.291  9003.42  173.996  1617.39   15.659  1612.39   15.592 4.996216 22.09764 
1 1 1  -11    5    3 o  1205.70   8.5353  5032.00   71.225  4965.49   99.421  5102.11  102.088  1197.55   11.995  1213.90   12.151 -16.35437 17.07432 
1 1 1  -11    5    4 o  498.235   4.8998  859.152   16.896  867.951   24.098  850.644   23.697  500.748   6.9532  495.731   6.9066 5.016724 9.800382 
1 1 1  -11    5    5 o  334.712   4.8763  387.769   11.296  385.859   16.073  389.633   15.880  333.854   6.9560  335.485   6.8392 -1.630676 9.755028 
1 1 1  -11    5    6 o  522.750   5.2190  945.920   18.883  948.768   26.866  943.140   26.544  523.464   7.4156  521.911   7.3485 1.552185 10.43991 
1 1 1  -11    5    7 o  369.775   9.8957  473.561   25.326  473.561   25.326   0.0000   0.0000  369.775   9.8957  ?   ?  0.000000 9.895658 
1 1 1  -11    5    8 o  271.899   6.2961  255.900   11.848  252.976   20.855  257.294   14.398  270.268   11.149  272.622   7.6306 -2.354340 13.51014 
1 1 1  -11    5    9 f  311.762   8.1217  336.467   17.525  356.195   23.968  313.805   25.689  320.729   10.797  301.013   12.330 19.71686 16.38961 
1 1 1  -11    5   11 o  303.051   8.0924  317.937   16.974  317.937   16.974   0.0000   0.0000  303.051   8.0924  ?   ?  0.000000 8.092422 
1 1 1  -11    5   12 o  1304.76   9.3011  5895.11   83.993  5997.52  120.725  5799.04  116.933  1315.61   13.259  1293.68   13.060 21.92639 18.61032 
1 1 1  -11    5   13 o  835.733   7.9202  2418.52   45.812  2462.76   56.234  2331.22   78.997  843.217   9.6357  819.983   13.920 23.23401 16.92941 
1 1 1  -11    5   14 o  379.505   6.1358  498.662   16.116  505.865   19.607  483.659   28.298  382.190   7.4122  373.541   10.945 8.649384 13.21908 
1 1 1  -11    5   15 o  454.990   5.5418  716.867   17.451  726.836   20.565  691.219   32.986  458.087   6.4865  446.376   10.677 11.71045 12.49296 
1 1 1  -11    5   16 o  267.707   6.3066  248.326   11.685  246.057   13.760  254.195   22.129  266.414   7.4624  270.419   11.823 -4.005951 13.98149 
1 1 1  -11    5   17 o  444.060   5.5920  683.330   17.186  701.806   20.362  637.561   32.048  449.909   6.5390  428.120   10.816 21.78864 12.63886 
1 1 1  -11    5   18 o  205.951   7.7033  147.298   10.980  154.414   13.389  132.683   19.188  210.712   9.1811  194.112   14.385 16.60007 17.06520 
1 1 1  -11    5   19 o  264.532   11.348  244.585   20.776  244.585   20.776   0.0000   0.0000  264.532   11.348  ?   ?  0.000000 11.34794 
1 1 1  -11    5   20 o   77.621   17.212   22.267   9.0045   16.070   10.522   39.220   17.403   66.640   20.667  101.410   24.963 -34.77026 32.40802 
1 1 1  -11    5   21 o  128.309   11.230   58.349   9.8723   52.736   11.461   74.488   19.434  121.157   13.921  141.620   20.417 -20.46351 24.71161 
1 1 1  -11    7    1 o  772.372   6.0247  2064.65   32.206  1957.60   43.521  2194.23   47.883  752.045   8.3613  796.195   8.6894 -44.14929 12.05889 
1 1 1  -11    7    2 o  1216.99   8.5914  5126.55   72.365  5025.61  100.277  5236.25  104.534  1204.81   12.026  1229.78   12.282 -24.97644 17.18868 
1 1 1  -11    7    3 o  981.821   7.2221  3336.61   49.076  3294.63   68.621  3380.56   70.215  975.522   10.164  988.157   10.267 -12.63470 14.44642 
1 1 1  -11    7    4 o  693.171   5.7171  1663.08   27.428  1612.95   37.819  1718.69   39.838  682.581   8.0053  704.594   8.1693 -22.01288 11.43776 
1 1 1  -11    7    5 o  194.434   6.7831  130.878   9.1281  137.561   14.984  126.934   11.510  198.973   10.923  191.458   8.6863 7.515762 13.95557 
1 1 1  -11    7    6 f  827.558   6.4550  2370.96   36.972  2400.49   74.271  2361.24   42.629  832.176   12.895  825.801   7.4585 6.375244 14.89679 
1 1 1  -11    7    7 o  183.707   6.7894  116.830   8.6324  109.610   17.116  119.293   9.9970  177.279   14.065  185.623   7.7815 -8.343552 16.07433 
1 1 1  -11    7    8 o  313.413   10.298  340.146   22.337  340.146   22.337   0.0000   0.0000  313.413   10.298  ?   ?  0.000000 10.29760 
1 1 1  -11    7    9 o  578.934   6.4505  1160.10   25.846  1117.56   42.386  1185.29   32.611  568.112   10.780  585.150   8.0524 -17.03772 13.45529 
1 1 1  -11    7   10 o  1134.97   9.5873  4459.72   75.310  4495.61  130.796  4441.93   92.112  1139.01   16.592  1132.57   11.751 6.440796 20.33137 
1 1 1  -11    7   11 o  1428.16   14.139  7066.52  139.757  7066.52  139.757   0.0000   0.0000  1428.16   14.139  ?   ?  0.000000 14.13902 
1 1 1  -11    7   12 o  913.418   9.8424  2889.42   62.223  2889.42   62.223   0.0000   0.0000  913.418   9.8424  ?   ?  0.000000 9.842435 
1 1 1  -11    7   13 o  333.307   6.2473  384.597   14.412  393.685   17.694  366.683   24.842  337.190   7.5817  325.316   11.033 11.87442 13.38702 
1 1 1  -11    7   14 f  198.483   7.6526  136.444   10.513  134.987   12.302  140.390   20.242  197.389   9.0047  200.577   14.683 -3.188278 17.22448 
1 1 1  -11    7   15 o  218.839   8.3820  165.988   12.695  177.089   16.653  150.585   19.617  225.929   10.650  207.718   13.722 18.21173 17.37023 
1 1 1  -11    7   16 o  206.014   8.7531  147.243   12.481  148.153   16.060  145.854   19.831  206.173   11.298  204.153   14.122 2.020447 18.08515 
1 1 1  -11    7   17 o  230.225   6.8391  183.809   10.897  186.342   12.746  176.927   21.009  231.720   7.9477  224.780   13.568 6.939819 15.72425 
1 1 1  -11    7   18 o  256.732   6.5084  228.671   11.565  244.064   13.750  191.463   21.377  265.123   7.4935  233.617   13.276 31.50563 15.24496 
1 1 1  -11    7   19 o   90.716   16.274   29.903   9.8421   26.156   11.617   39.429   18.526   83.972   20.229  102.119   26.110 -18.14699 33.02918 
1 1 1  -11    7   20 o  118.607   11.771   49.834   9.5352   54.823   11.087   35.659   18.689  124.127   13.103   96.434   26.955 27.69308 29.97122 
1 1 1  -11    7   21 o  117.793   12.071   49.443   9.7019   55.035   11.371   34.478   18.603  123.915   13.475   93.832   27.117 30.08295 30.28096 
1 1 1  -11    9    1 o  1196.33   8.4642  4953.96   70.084  4756.35   95.046  5189.43  103.751  1172.10   11.716  1224.27   12.244 -52.17346 16.94695 
1 1 1  -11    9    2 o  562.526   5.0527  1095.15   19.672  1048.53   27.038  1147.58   28.674  550.397   7.0978  575.806   7.1950 -25.40869 10.10676 
1 1 1  -11    9    3 o  325.906   4.5752  367.600   10.320  358.518   14.524  376.859   14.666  321.838   6.5205  329.969   6.4219 -8.130829 9.151900 
1 1 1  -11    9    4 o  919.838   6.9120  2928.95   44.004  2885.25   61.458  2974.91   63.033  912.805   9.7280  926.873   9.8259 -14.06775 13.82685 
1 1 1  -11    9    5 o  237.183   5.3741  194.729   8.8220  203.171   17.319  191.772   10.252  242.181   10.333  235.363   6.2933 6.817886 12.09822 
1 1 1  -11    9    6 o  555.487   5.2802  1068.10   20.300  1135.12   41.112  1046.49   23.345  572.428   10.377  549.813   6.1348 22.61481 12.05479 
1 1 1  -11    9    7 o  682.478   5.7924  1612.25   27.360  1606.34   53.965  1614.30   31.743  680.980   11.450  682.882   6.7161 -1.901672 13.27435 
1 1 1  -11    9    8 o  478.464   9.9700  792.683   33.016  792.683   33.016   0.0000   0.0000  478.464   9.9700  ?   ?  0.000000 9.969960 
1 1 1  -11    9    9 o  820.852   12.922  2333.66   73.416  2333.66   73.416   0.0000   0.0000  820.852   12.922  ?   ?  0.000000 12.92249 
1 1 1  -11    9   10 o  1585.08   10.960  8699.81  120.233  8693.00  169.636  8706.68  170.439  1584.00   15.473  1585.23   15.535 -1.238892 21.92598 
1 1 1  -11    9   11 o  602.214   6.3660  1255.32   26.533  1259.04   32.438  1247.81   46.124  603.068   7.7716  600.258   11.102 2.810486 13.55200 
1 1 1  -11    9   12 o  520.088   6.1944  936.338   22.297  949.348   27.053  908.781   39.374  523.652   7.4644  512.204   11.107 11.44800 13.38213 
1 1 1  -11    9   13 o  132.646   10.072   61.304   9.1773   68.360   10.790   42.854   17.449  140.008   11.230  108.866   23.820 31.14218 26.33439 
1 1 1  -11    9   14 o  431.159   6.0878  643.667   18.167  681.430   22.595  574.634   30.550  443.571   7.3601  407.141   10.842 36.42996 13.10386 
1 1 1  -11    9   15 o  397.077   6.1621  546.109   16.935  549.768   20.624  538.537   29.672  398.321   7.4809  393.945   10.883 4.375824 13.20581 
1 1 1  -11    9   16 o  136.037   10.871   64.704   10.150   65.170   12.205   63.659   18.275  136.217   13.107  133.210   20.478 3.006516 24.31329 
1 1 1  -11    9   17 o  294.142   6.0163  299.908   12.248  301.030   14.434  297.024   23.148  294.597   7.0791  292.084   11.451 2.512299 13.46232 
1 1 1  -11    9   18 o  116.057   20.740   49.171   16.048   49.171   16.048   0.0000   0.0000  116.057   20.740  ?   ?  0.000000 20.74005 
1 1 1  -11    9   19 o  264.052   6.8944  242.206   12.600  238.752   15.341  249.366   22.085  261.909   8.4632  266.906   11.955 -4.997314 14.64783 
1 1 1  -11    9   20 f  103.440   17.311   39.112   11.955   38.565   15.435   39.932   18.903  101.088   22.625  101.871   26.543 -0.7835999 34.87750 
1 1 1  -11    9   21 o   55.502   19.256   10.337   9.0356   20.550   10.517 -18.4439   17.655   73.771   20.067   44.897   21.271 28.87375 29.24289 
1 1 1  -11   11    1 o  1262.80   8.8762  5520.15   77.578  5346.50  106.136  5719.34  113.675  1242.60   12.341  1285.17   12.780 -42.56970 17.76590 
1 1 1  -11   11    2 o  226.191   4.9774  177.071   7.7921  158.922   10.719  197.409   11.347  214.273   7.2280  238.816   6.8650 -24.54355 9.968527 
1 1 1  -11   11    3 o  576.456   7.3212  1150.32   29.210  1150.32   29.210   0.0000   0.0000  576.456   7.3212  ?   ?  0.000000 7.321222 
1 1 1  -11   11    4 o  589.575   6.0601  1203.24   24.728  1220.49   42.678  1194.52   30.341  593.616   10.388  587.391   7.4631 6.225220 12.79068 
1 1 1  -11   11    5 o  924.215   6.9494  2957.34   44.453  2966.83   88.508  2954.14   51.407  925.040   13.824  923.640   8.0416 1.400146 15.99312 
1 1 1  -11   11    6 o  335.007   5.7668  388.495   13.371  393.756   22.076  385.446   16.804  337.183   9.4596  333.660   7.2768 3.522339 11.93462 
1 1 1  -11   11    7 o  688.599   5.8195  1641.28   27.735  1644.39   54.662  1640.20   32.186  689.020   11.462  688.345   6.7559 0.6748047 13.30526 
1 1 1  -11   11    8 o  1042.77   15.264  3767.80  110.163  3767.80  110.163   0.0000   0.0000  1042.77   15.264  ?   ?  0.000000 15.26406 
1 1 1  -11   11    9 o  225.517   12.139  176.634   18.877   0.0000   0.0000  176.634   18.877  ?   ?   225.517   12.139 0.000000 12.13887 
1 1 1  -11   11   10 o  123.560   10.427   53.238   8.8338   42.689   11.664   67.428   13.527  109.877   15.792  138.783   14.287 -28.90589 21.29583 
1 1 1  -11   11   11 o  202.092   18.859  142.878   26.074   0.0000   0.0000  142.878   26.074  ?   ?   202.092   18.859 0.000000 18.85914 
1 1 1  -11   11   12 o  296.244   6.4157  303.804   13.154  304.379   15.767  302.488   23.858  296.502   7.6835  295.485   11.666 1.016693 13.96894 
1 1 1  -11   11   13 o  241.128   7.0829  201.316   11.820  207.594   14.339  188.000   20.883  244.830   8.4619  232.502   13.030 12.32793 15.53632 
1 1 1  -11   11   14 o  528.618   6.5076  967.654   23.809  1004.54   30.269  907.805   38.558  538.498   8.1215  511.704   10.887 26.79449 13.58271 
1 1 1  -11   11   15 o  248.384   6.5715  213.723   11.297  231.996   13.475  170.488   20.727  258.742   7.5244  221.045   13.614 37.69679 15.55513 
1 1 1  -11   11   16 o  284.707   6.0884  280.872   11.997  280.048   13.944  283.220   23.538  284.223   7.0885  285.369   11.918 -1.146149 13.86649 
1 1 1  -11   11   17 o  200.835   10.880  140.775   15.066  140.775   15.066   0.0000   0.0000  200.835   10.880  ?   ?  0.000000 10.87964 
1 1 1  -11   11   18 o  153.247   8.8071   81.935   9.3020   76.777   10.916   95.610   17.775  148.034   10.727  164.198   15.837 -16.16394 19.12843 
1 1 1  -11   11   19 o   94.532   14.274   32.110   9.0478   35.508   10.729   23.746   16.833   99.021   16.217   81.196   26.263 17.82449 30.86681 
1 1 1  -11   11   20 o  211.814   8.0706  156.337   11.831  165.189   14.180  136.049   21.467  217.456   9.4213  195.013   16.047 22.44313 18.60836 
1 1 1  -11   11   21 o   36.972   16.777  -4.7779   9.3095  -7.9371   10.832   4.1517   18.211   37.923   17.535   60.252   25.443 -22.32912 30.89984 
1 1 1  -11   13    1 o  603.750   5.2574  1261.60   21.969  1162.75   29.325  1388.03   33.165  579.579   7.3104  633.234   7.5673 -53.65460 10.52173 
1 1 1  -11   13    2 o  1179.14   8.3957  4813.39   68.517  4612.62   92.693  5055.22  101.731  1154.07   11.605  1208.12   12.166 -54.05493 16.81351 
1 1 1  -11   13    3 o  444.501   4.8201  683.858   14.829  643.388   20.442  728.804   21.543  431.111   6.8511  458.838   6.7837 -27.72717 9.641393 
1 1 1  -11   13    4 o  983.549   8.4336  3349.84   57.410   0.0000   0.0000  3349.84   57.410  ?   ?   983.549   8.4336 0.000000 8.433568 
1 1 1  -11   13    5 o  425.144   4.8457  625.634   14.258  626.341   27.705  625.380   16.630  425.247   9.4134  425.040   5.6530 0.2072754 10.98040 
1 1 1  -11   13    6 o  215.273   5.7761  160.414   8.6060  150.195   15.996  164.577   10.209  207.928   11.156  218.037   6.7654 -10.10970 13.04725 
1 1 1  -11   13    7 o  478.762   5.7815  793.376   19.157  788.293   32.661  796.042   23.654  477.127   9.8906  479.538   7.1269 -2.411804 12.19083 
1 1 1  -11   13    8 o  672.846   8.1005  1567.22   37.723  1567.22   37.723   0.0000   0.0000  672.846   8.1005  ?   ?  0.000000 8.100514 
1 1 1  -11   13    9 o  118.865   11.352   49.371   9.2258   60.257   11.151   25.756   16.424  131.323   12.416   85.736   25.670 45.58661 28.51517 
1 1 1  -11   13   10 o  580.634   5.5461  1166.87   22.288  1138.45   30.582  1199.06   32.550  573.478   7.7050  588.538   7.9909 -15.06067 11.10054 
1 1 1  -11   13   12 o  134.593   11.964   63.262   11.028   48.365   13.191   97.854   20.101  116.892   16.787  167.006   17.658 -50.11378 24.36356 
1 1 1  -11   13   13 o  372.510   7.5456  480.514   19.454  497.561   27.100  462.390   27.943  378.952   10.333  365.281   11.053 13.67099 15.13036 
1 1 1  -11   13   14 o  524.762   5.5351  953.446   20.103  978.217   23.667  889.268   38.095  531.487   6.4339  506.419   10.869 25.06754 12.63030 
1 1 1  -11   13   15 o  539.807   5.5806  1009.20   20.850  1021.25   24.304  975.610   40.573  542.945   6.4677  530.119   11.058 12.82593 12.81072 
1 1 1  -11   13   16 o  295.310   5.9561  302.183   12.173  315.211   14.353  268.780   22.981  301.544   6.8770  277.966   11.946 23.57840 13.78365 
1 1 1  -11   13   17 o  241.326   7.0886  202.039   11.840  206.177   14.175  192.488   21.534  243.662   8.4051  234.448   13.326 9.214722 15.75511 
1 1 1  -11   13   18 o   34.784   15.831  -5.0601   8.3666  -6.6252   10.095  -1.6278   14.950   37.715   17.251   51.728   22.466 -14.01331 28.32566 
1 1 1  -11   13   19 o  252.059   7.6985  220.970   13.430  227.995   17.389  210.585   21.142  255.631   9.8287  244.750   12.523 10.88091 15.91952 
1 1 1  -11   13   20 o  120.034   12.561   51.243   10.280   63.412   12.243   22.156   18.929  133.418   13.442   79.617   27.857 53.80037 30.93049 
1 1 1  -11   13   21 o  126.851   11.335   57.162   9.8468   51.516   11.471   72.976   19.196  119.503   14.143  139.779   20.447 -20.27600 24.86208 
1 1 1  -11   15    1 o  502.514   4.8860  873.997   16.993  840.172   23.413  911.651   24.703  492.656   6.8666  513.183   6.9550 -20.52689 9.773568 
1 1 1  -11   15    2 o  767.078   6.0780  2036.79   32.268  1955.47   44.037  2131.08   47.419  751.512   8.4666  784.518   8.7332 -33.00580 12.16351 
1 1 1  -11   15    3 o  478.561   9.4650  793.171   31.350  793.171   31.350   0.0000   0.0000  478.561   9.4650  ?   ?  0.000000 9.464992 
1 1 1  -11   15    4 o  708.187   6.7198  1736.35   32.937  1669.27   54.372  1775.24   41.396  694.085   11.318  715.985   8.3537 -21.90009 14.06731 
1 1 1  -11   15    5 o  361.560   5.6491  452.518   14.136  438.390   22.874  461.248   17.981  355.783   9.2893  365.000   7.1179 -9.217041 11.70282 
1 1 1  -11   15    6 o  329.747   5.6344  376.365   12.859  354.390   21.468  388.662   16.059  319.904   9.6958  335.071   6.9247 -15.16748 11.91471 
1 1 1  -11   15    7 o  739.941   6.0184  1895.11   30.822  1921.97   44.009  1869.26   43.179  745.084   8.5342  734.798   8.4904 10.28662 12.03829 
1 1 1  -11   15    8 o  423.401   4.9975  620.447   14.645  613.351   20.359  628.055   21.081  420.947   6.9881  425.961   7.1506 -5.013428 9.998230 
1 1 1  -11   15    9 o  1078.85   7.9063  4029.00   59.035  4081.14   84.201  3978.59   82.794  1085.64   11.206  1071.92   11.160 13.72388 15.81512 
1 1 1  -11   15   10 o  683.349   8.3065  1616.58   39.286  1616.58   39.286   0.0000   0.0000  683.349   8.3065  ?   ?  0.000000 8.306539 
1 1 1  -11   15   11 o  279.606   6.2247  270.621   12.046  271.827   16.440  269.222   17.702  280.196   8.4772  278.838   9.1725 1.357880 12.48987 
1 1 1  -11   15   12 o  210.410   10.936  153.789   15.871  153.789   15.871   0.0000   0.0000  210.410   10.936  ?   ?  0.000000 10.93606 
1 1 1  -11   15   13 f  374.301   5.6165  485.017   14.550  484.278   16.861  487.171   28.791  373.991   6.5142  374.921   11.095 -0.9301453 12.86628 
1 1 1  -11   15   14 o  154.172   9.5330   82.705   10.122   84.714   12.275   78.439   17.893  155.853   11.460  149.099   17.684 6.754745 21.07257 
1 1 1  -11   15   15 o  297.747   5.9262  307.091   12.212  311.742   14.319  294.683   23.389  299.942   6.8978  291.268   11.602 8.673920 13.49788 
1 1 1  -11   15   16 o  416.694   6.3263  601.801   18.245  601.801   18.245   0.0000   0.0000  416.694   6.3263  ?   ?  0.000000 6.326306 
1 1 1  -11   15   17 o  109.710   11.646   42.406   8.7078   42.435   10.128   42.322   17.050  109.383   13.677  107.068   23.641 2.315346 27.31251 
1 1 1  -11   15   18 o  254.058   7.6151  224.241   13.390  242.817   17.547  198.342   20.719  264.067   9.6007  237.798   12.634 26.26945 15.86814 
1 1 1  -11   15   19 o  110.926   11.859   43.577   8.9631   39.239   10.295   57.171   18.222  104.551   14.627  124.296   21.986 -19.74444 26.40705 
1 1 1  -11   15   20 o   70.675   18.813   18.608   9.3652   19.300   10.926   16.693   18.185   72.022   20.772   72.884   27.059 -0.8621979 34.11246 
1 1 1  -11   17    1 o  182.093   5.8200  114.778   7.3349  107.334   9.8667  123.974   10.967  176.066   8.0969  189.218   8.3739 -13.15219 11.64830 
1 1 1  -11   17    2 o  255.563   9.2852  226.195   16.423  226.195   16.423   0.0000   0.0000  255.563   9.2852  ?   ?  0.000000 9.285162 
1 1 1  -11   17    3 o  625.597   6.2901  1354.90   27.235  1219.51   43.103  1444.88   35.139  593.311   10.497  645.965   7.8596 -52.65363 13.11308 
1 1 1  -11   17    4 o  169.352   7.1510   99.298   8.3817  108.390   13.748   93.920   10.574  176.509   11.313  164.409   9.3311 12.10013 14.66505 
1 1 1  -11   17    5 o   91.358   15.700   29.758   9.5695   0.0000   0.0000   29.758   9.5695  ?   ?    91.358   15.700 0.000000 15.70028 
1 1 1  -11   17    6 o  335.883   5.6268  390.492   13.081  355.951   21.479  410.853   16.491  320.619   9.6795  344.510   6.9163 -23.89124 11.89658 
1 1 1  -11   17    8 o  325.202   7.5109  366.076   16.905   0.0000   0.0000  366.076   16.905  ?   ?   325.202   7.5109 0.000000 7.510934 
1 1 1  -11   17    9 o  413.088   5.1943  590.595   14.851  626.147   20.895  554.305   21.111  425.315   7.0982  400.164   7.6223 25.15045 10.41556 
1 1 1  -11   17   10 o  779.461   7.3298  2103.17   39.542  2106.45   48.414  2096.58   68.532  780.007   8.9681  777.991   12.727 2.016541 15.56967 
1 1 1  -11   17   11 o  1200.96   8.6823  4994.07   72.167  5011.72  102.054  4976.42  102.065  1202.74   12.260  1198.49   12.305 4.247681 17.36963 
1 1 1  -11   17   12 o  792.411   13.113  2176.58   71.914  2176.58   71.914   0.0000   0.0000  792.411   13.113  ?   ?  0.000000 13.11253 
1 1 1  -11   17   13 o  379.619   11.050  499.512   29.032   0.0000   0.0000  499.512   29.032  ?   ?   379.619   11.050 0.000000 11.04971 
1 1 1  -11   17   14 o  491.961   6.1557  838.185   20.960  884.728   26.100  753.659   35.173  505.345   7.4623  466.117   10.903 39.22842 13.21194 
1 1 1  -11   17   15 o  355.576   6.1160  438.022   15.052  453.973   18.437  406.146   26.063  361.902   7.3607  341.967   11.012 19.93497 13.24542 
1 1 1  -11   17   16 o   31.798   14.963  -9.1395   8.4643  -5.2029   10.045 -18.7805   15.720   38.935   17.570   42.210   20.019 -3.274666 26.63601 
1 1 1  -11   17   17 o   74.760   16.792   20.394   8.4763   22.597   10.064   15.020   15.722   78.525   18.773   70.100   25.300 8.425217 31.50374 
1 1 1  -11   17   18 o  184.758   9.3733  119.161   11.947  115.017   15.022  126.293   19.706  180.991   12.061  188.920   15.199 -7.928680 19.40355 
1 1 1  -11   17   19 o   55.264   20.518   8.7611   10.456   1.8363   13.261   20.137   16.997   51.555   21.738   76.521   26.418 -24.96613 34.21166 
1 1 1  -11   17   20 o  155.823   9.1314   85.132   9.8049   81.384   11.397   95.805   19.232  151.917   10.913  162.708   17.345 -10.79063 20.49253 
1 1 1  -11   19    1 o  738.134   5.9323  1886.11   30.307  1752.68   56.574  1939.81   35.891  711.208   11.493  748.521   6.9279 -37.31366 13.41974 
1 1 1  -11   19    2 o  727.080   6.8124  1830.26   34.282  1747.32   56.607  1878.30   43.080  710.109   11.518  736.469   8.4517 -26.35919 14.28604 
1 1 1  -11   19    3 o  318.292   9.2529  350.878   20.384  350.878   20.384   0.0000   0.0000  318.292   9.2529  ?   ?  0.000000 9.252945 
1 1 1  -11   19    4 o  377.722   4.7570  493.825   12.436  477.042   17.166  512.360   18.040  371.214   6.6815  384.707   6.7755 -13.49399 9.515759 
1 1 1  -11   19    5 o  659.515   6.4516  1505.65   29.449  1433.66   48.692  1547.16   36.978  643.381   10.935  668.494   7.9923 -25.11310 13.54436 
1 1 1  -11   19    6 o  850.953   6.5712  2506.51   38.702  2462.20   53.716  2554.33   55.808  843.295   9.2034  858.919   9.3879 -15.62439 13.14672 
1 1 1  -11   19    7 o  223.793   5.7990  173.346   8.9821  179.144   12.189  166.456   13.287  227.489   7.7415  219.276   8.7552 8.213745 11.68698 
1 1 1  -11   19    9 o   82.653   17.075   24.553   9.4443   25.678   11.106   21.615   17.948   84.379   19.420   81.336   27.162 3.042831 33.39046 
1 1 1  -11   19   10 o  365.454   10.918  462.537   27.616   0.0000   0.0000  462.537   27.616  ?   ?   365.454   10.918 0.000000 10.91833 
1 1 1  -11   19   11 o  905.818   7.0622  2840.57   44.275  2807.01   61.545  2876.57   63.741  900.275   9.8774  911.344   10.106 -11.06921 14.13103 
1 1 1  -11   19   13 o  368.897   14.072  472.293   35.927   0.0000   0.0000  472.293   35.927  ?   ?   368.897   14.072 0.000000 14.07155 
1 1 1  -11   19   14 o  114.062   12.037   45.666   9.3589   42.953   10.840   53.610   18.549  110.204   14.569  121.839   22.835 -11.63457 27.08708 
1 1 1  -11   19   15 f  213.708   9.1934  158.475   13.598  158.475   13.598   0.0000   0.0000  213.708   9.1934  ?   ?  0.000000 9.193398 
1 1 1  -11   19   16 f  153.804   8.6106   82.380   9.1291   80.192   10.748   88.049   17.299  151.533   10.309  157.843   16.059 -6.310715 19.08305 
1 1 1  -11   19   17 o  299.358   5.8738  310.729   12.170  329.345   14.437  265.024   22.621  308.096   6.7704  275.637   11.858 32.45892 13.65458 
1 1 1  -11   19   18 o   98.900   12.993   34.836   8.6787   34.139   10.056   36.868   17.180   97.336   15.443   99.073   25.042 -1.737106 29.42084 
1 1 1  -11   19   19 o   39.864   18.046  -5.4398   10.694 -17.9013   13.593   14.800   17.324   38.027   18.197   70.488   26.363 -32.46089 32.03340 
1 1 1  -11   19   20 o  105.246   13.009   39.683   9.2741   35.196   10.726   52.976   18.461   98.048   16.384  118.057   23.420 -20.00903 28.58190 
1 1 1  -11   21    1 o  421.121   5.4813  613.884   15.976  563.415   26.426  642.954   20.056  403.322   9.4669  430.944   6.7243 -27.62219 11.61199 
1 1 1  -11   21    2 o  796.693   6.2665  2197.28   34.554  2091.22   65.717  2237.81   40.622  776.835   12.223  803.955   7.3005 -27.11951 14.23705 
1 1 1  -11   21    3 o  170.669   6.1433  100.830   7.2566  105.128   10.178   96.387   10.349  174.244   8.4394  166.594   9.0092 7.650360 12.34462 
1 1 1  -11   21    4 o  472.449   4.8837  772.557   15.969  742.892   22.114  804.887   23.085  463.250   6.8971  482.192   6.9173 -18.94162 9.768249 
1 1 1  -11   21    5 o  716.676   5.8906  1777.81   29.218  1725.48   40.300  1835.81   42.424  705.975   8.2479  728.190   8.4176 -22.21442 11.78486 
1 1 1  -11   21    6 o  893.513   6.8099  2763.49   42.113  2738.90   58.859  2789.27   60.280  889.422   9.5615  897.557   9.7037 -8.135254 13.62289 
1 1 1  -11   21    8 o  448.821   5.1690  697.188   16.057  681.750   21.845  715.331   23.681  443.799   7.1120  454.591   7.5267 -10.79193 10.35528 
1 1 1  -11   21    9 o  760.767   6.2361  2003.29   32.835  1976.85   45.632  2031.68   47.284  755.651   8.7250  766.052   8.9183 -10.40088 12.47647 
1 1 1  -11   21   10 o  814.926   13.168  2300.98   74.268   0.0000   0.0000  2300.98   74.268  ?   ?   814.926   13.168 0.000000 13.16768 
1 1 1  -11   21   11 o  1364.22   13.629  6451.05  128.686  6478.05  182.555  6424.39  181.430  1365.94   19.310  1360.28   19.271 5.659912 27.28103 
1 1 1  -11   21   12 o  526.320   7.9173  959.313   28.841  959.313   28.841   0.0000   0.0000  526.320   7.9173  ?   ?  0.000000 7.917327 
1 1 1  -11   21   13 o   90.185   17.484   29.246   10.519   37.955   14.573   19.772   15.199  102.484   21.243   76.590   24.968 25.89397 32.78267 
1 1 1  -11   21   14 o  197.406   8.2827  135.084   11.316  146.666   13.792  111.219   19.797  205.631   9.6907  177.967   16.252 27.66342 18.92169 
1 1 1  -11   21   15 o  194.283   14.313  132.244   19.111   0.0000   0.0000  132.244   19.111  ?   ?   194.283   14.313 0.000000 14.31325 
1 1 1  -11   21   16 o  229.318   6.6007  182.346   10.476  189.149   12.373  165.122   19.688  233.476   7.6572  217.183   13.160 16.29268 15.22524 
1 1 1  -11   21   17 o  137.287   11.516   66.196   10.841   63.997   13.863   69.659   17.396  134.240   15.188  139.308   18.500 -5.067963 23.93561 
1 1 1  -11   21   18 o  224.270   6.7573  174.676   10.489  185.969   12.240  143.463   20.348  231.292   7.6462  201.413   14.699 29.87930 16.56844 
1 1 1  -11   21   19 o   80.514   16.725   23.858   9.0156   17.065   10.261   46.849   18.879   68.239   20.258  110.920   25.169 -42.68074 32.30873 
1 1 1  -11   21   20 o  107.648   19.927   43.309   14.300   43.309   14.300   0.0000   0.0000  107.648   19.927  ?   ?  0.000000 19.92687 
1 1 1  -11   23    1 o  509.196   10.399  898.049   36.648   0.0000   0.0000  898.049   36.648  ?   ?   509.196   10.399 0.000000 10.39878 
1 1 1  -11   23    2 o  663.616   6.4929  1524.47   29.822  1415.61   48.756  1589.54   37.696  639.291   11.019  677.574   8.0382 -38.28241 13.63947 
1 1 1  -11   23    3 o  506.534   4.9881  888.053   17.487  860.950   24.395  916.701   25.081  498.701   7.0677  514.595   7.0421 -15.89413 9.977188 
1 1 1  -11   23    4 o  1117.60   9.2991  4324.71   71.930  4200.00  120.466  4393.81   89.669  1100.81   15.812  1126.34   11.503 -25.52307 19.55289 
1 1 1  -11   23    6 o  1294.82   9.1318  5804.28   81.836  5682.88  113.071  5937.83  118.593  1280.96   12.754  1309.35   13.087 -28.39014 18.27337 
1 1 1  -11   23    7 o  952.738   7.1689  3141.96   47.272  3070.44   65.139  3221.53   68.710  941.725   9.9940  964.603   10.292 -22.87799 14.34576 
1 1 1  -11   23    8 o  463.134   5.9050  742.400   18.928  738.643   22.800  750.732   33.953  461.942   7.1312  465.636   10.536 -3.693329 12.72217 
1 1 1  -11   23    9 o  534.175   5.4035  987.626   19.977  970.842   27.575  1006.17   28.982  529.572   7.5233  539.114   7.7674 -9.542175 10.81351 
1 1 1  -11   23   10 o  408.285   5.4612  576.997   15.432  576.656   21.158  577.385   22.558  408.123   7.4904  408.369   7.9814 -0.2455750 10.94568 
1 1 1  -11   23   11 o  626.290   6.6963  1357.96   29.026  1435.12   36.790  1230.73   47.240  643.766   8.2571  595.982   11.453 47.78375 14.11877 
1 1 1  -11   23   12 o  391.792   5.7410  531.424   15.568  544.464   21.638  517.431   22.415  396.496   7.8849  386.508   8.3791 9.988037 11.50568 
1 1 1  -11   23   13 o  262.891   6.7266  239.369   12.239  234.884   16.507  244.845   18.239  260.323   9.1620  265.749   9.9165 -5.426666 13.50111 
1 1 1  -11   23   14 o  109.938   19.851   43.540   14.549   43.540   14.549   0.0000   0.0000  109.938   19.851  ?   ?  0.000000 19.85082 
1 1 1  -11   23   15 o  200.917   7.2571  139.970   10.092  143.802   11.834  129.756   19.320  203.581   8.3989  192.327   14.624 11.25333 16.86420 
1 1 1  -11   23   16 o  156.672   10.881   85.843   11.725   93.122   15.385   75.756   18.111  162.712   13.791  145.656   18.374 17.05603 22.97410 
1 1 1  -11   23   17 o  140.479   9.5744   69.005   9.2534   69.117   10.737   68.683   18.242  140.337   11.147  137.905   19.669 2.431488 22.60825 
1 1 1  -11   23   18 o  333.898   5.9099  386.919   13.658  388.084   15.637  383.171   28.047  334.253   6.7592  330.719   12.253 3.533966 13.99395 
1 1 1  -11   23   19 f   80.812   16.263   23.999   8.7811   18.766   9.8905   43.478   19.083   71.082   19.511  106.373   26.113 -35.29041 32.59720 
1 1 1  -11   23   20 o   49.481   18.971   6.4345   9.1031  -0.1413   10.471   26.785   18.421   43.939   18.942   84.041   27.492 -40.10180 33.38606 
1 1 1  -11   25    1 o  829.655   9.1205  2383.35   52.371  2370.73   73.867  2396.10   74.262  827.223   12.902  831.637   12.902 -4.413696 18.24608 
1 1 1  -11   25    2 o  612.790   10.929  1300.49   46.354   0.0000   0.0000  1300.49   46.354  ?   ?   612.790   10.929 0.000000 10.92943 
1 1 1  -11   25    3 o  605.589   6.2144  1269.41   26.047  1254.48   31.462  1301.95   46.438  601.982   7.5513  613.151   10.943 -11.16858 13.29528 
1 1 1  -11   25    4 o  899.675   6.8238  2801.75   42.490  2709.03   58.167  2907.83   62.218  884.558   9.5012  916.424   9.8094 -31.86615 13.65638 
1 1 1  -11   25    5 o  239.409   5.4268  198.378   8.9920  212.514   12.663  183.997   12.772  247.777   7.3838  230.548   8.0039 17.22870 10.88963 
1 1 1  -11   25    6 o  714.991   5.9245  1769.38   29.318  1729.81   40.500  1812.93   42.494  706.896   8.2780  723.673   8.4841 -16.77704 11.85352 
1 1 1  -11   25    7 o   94.461   13.740   31.554   8.7198   40.423   10.263   8.5317   16.535  107.093   14.196   64.824   25.372 42.26914 29.07389 
1 1 1  -11   25    8 o  846.020   6.6408  2477.51   38.885  2434.19   53.817  2524.83   56.246  838.492   9.2735  853.951   9.5165 -15.45898 13.28764 
1 1 1  -11   25    9 o  630.883   5.7240  1377.66   24.993  1376.65   34.858  1378.73   35.855  630.585   7.9870  631.053   8.2093 -0.4676514 11.45359 
1 1 1  -11   25   10 o  694.012   6.9481  1667.47   33.374  1680.49   57.229  1660.77   41.083  696.441   11.873  692.540   8.5713 3.900330 14.64339 
1 1 1  -11   25   11 o  185.218   9.1910  118.825   11.782  123.991   14.511  108.829   20.184  188.833   11.153  176.286   16.744 12.54784 20.11794 
1 1 1  -11   25   13 o  310.496   6.3589  333.914   13.665  329.566   18.154  339.598   20.757  308.362   8.5064  312.954   9.5831 -4.592651 12.81384 
1 1 1  -11   25   14 o  253.286   7.0333  222.343   12.330  262.842   17.233  179.866   17.648  275.254   9.0456  227.548   11.206 47.70619 14.40136 
1 1 1  -11   25   15 o   57.071   18.219   11.194   8.1208   10.421   9.3995   13.468   16.127   57.034   19.648   68.983   25.508 -11.94872 32.19753 
1 1 1  -11   25   16 o  210.942   7.5159  154.443   10.973  149.902   13.091  165.171   20.120  207.673   9.1079  217.027   13.461 -9.353928 16.25300 
1 1 1  -11   25   17 o   91.779   14.049   30.193   8.6404   27.308   9.7992   40.273   18.316   86.561   16.963  103.604   25.674 -17.04230 30.77179 
1 1 1  -11   25   18 o  234.338   6.8114  190.802   11.047  197.007   12.510  168.829   23.543  238.001   7.5945  218.020   15.707 19.98183 17.44712 
1 1 1  -11   25   19 o   48.135   19.020   4.9955   9.3707   4.9955   9.3707   0.0000   0.0000   48.135   19.020  ?   ?  0.000000 19.01950 
1 1 1  -11   25   20 o  118.104   11.903   49.743   9.5971   48.112   10.890   55.415   20.310  115.519   13.899  119.154   25.403 -3.635002 28.95703 
1 1 1  -11   27    1 o  117.872   12.502   48.665   10.044   48.665   10.044   0.0000   0.0000  117.872   12.502  ?   ?  0.000000 12.50247 
1 1 1  -11   27    2 o  1459.95   10.137  7380.29  102.425  7190.76  140.898  7592.68  149.156  1440.69   14.130  1480.35   14.558 -39.66394 20.28800 
1 1 1  -11   27    3 o  704.069   8.2457  1716.07   40.181  1685.37   55.550  1749.76   58.191  697.624   11.505  710.811   11.828 -13.18738 16.50071 
1 1 1  -11   27    4 o  948.243   8.2132  3112.66   53.902  3047.22   64.517  3263.90   98.086  938.150   9.9364  970.657   14.600 -32.50732 17.66074 
1 1 1  -11   27    5 o  1631.58   11.209  9217.65  126.577  8965.79  173.564  9503.78  184.997  1608.69   15.589  1656.18   16.139 -47.49255 22.43836 
1 1 1  -11   27    6 o  924.554   9.8728  2959.48   63.176  2959.48   63.176   0.0000   0.0000  924.554   9.8728  ?   ?  0.000000 9.872781 
1 1 1  -11   27    9 o  355.700   5.4587  437.939   13.439  414.988   18.089  466.207   20.076  346.218   7.5491  366.954   7.9046 -20.73676 10.93029 
1 1 1  -11   27   10 o  331.366   7.8293  380.200   17.956  380.200   17.956   0.0000   0.0000  331.366   7.8293  ?   ?  0.000000 7.829281 
1 1 1  -11   27   11 o  507.238   11.173  891.707   39.224   0.0000   0.0000  891.707   39.224  ?   ?   507.238   11.173 0.000000 11.17279 
1 1 1  -11   27   12 o  252.182   12.874  221.268   22.394   0.0000   0.0000  221.268   22.394  ?   ?   252.182   12.874 0.000000 12.87353 
1 1 1  -11   27   13 o  209.373   8.8277  151.992   12.792  224.927   20.734  107.165   16.255  254.511   11.771  175.067   13.520 79.44444 17.92583 
1 1 1  -11   27   14 f  377.766   5.8593  494.416   15.319  527.652   21.512  460.220   21.821  390.065   7.9684  364.219   8.6564 25.84598 11.76556 
1 1 1  -11   27   15 o   40.109   17.565  -2.0655   9.3034   1.4579   11.241  -9.7268   16.576   47.972   20.109   49.008   22.296 -1.035442 30.02437 
1 1 1  -11   27   16 o  124.370   10.351   54.220   8.8290   58.141   10.205   42.546   17.607  128.618   11.588  107.077   24.313 21.54119 26.93344 
1 1 1  -11   27   17 o  117.167   11.625   48.432   9.3028   46.785   10.645   53.756   19.140  114.715   13.677  120.268   23.837 -5.553246 27.48163 
1 1 1  -11   27   18 o   94.252   13.436   31.848   8.5168   36.098   9.4482   13.424   19.672  100.318   13.989   71.483   27.759 28.83491 31.08407 
1 1 1  -11   27   19 o   66.519   18.798   16.400   9.0379   13.835   10.042   27.332   20.732   62.410   20.293   86.107   29.191 -23.69778 35.55149 
1 1 1  -11   29    1 o  1256.91   12.610  5471.54  109.695   0.0000   0.0000  5471.54  109.695  ?   ?   1256.91   12.610 0.000000 12.60977 
1 1 1  -11   29    2 o  586.375   5.3540  1190.04   21.729  1207.39   30.927  1173.13   30.535  590.592   7.5661  582.152   7.5784 8.439697 10.70881 
1 1 1  -11   29    3 o  1160.11   9.6134  4659.48   77.189  4485.85  128.454  4757.60   96.568  1137.81   16.312  1172.12   11.904 -34.30811 20.19337 
1 1 1  -11   29    4 o  630.355   6.4314  1375.31   28.059  1363.02   33.826  1402.44   50.239  627.502   7.7886  636.408   11.406 -8.905396 13.81147 
1 1 1  -11   29    5 o  808.511   7.4046  2262.73   41.435  2189.04   48.921  2449.76   77.940  795.192   8.8888  841.012   13.390 -45.82019 16.07178 
1 1 1  -11   29    6 o  1047.04   8.8763  3795.32   64.324  3891.14   80.565  3626.83  106.831  1060.06   10.981  1023.15   15.086 36.91632 18.65954 
1 1 1  -11   29    7 o  1025.70   7.6006  3642.00   53.957  3570.81   74.604  3720.09   78.131  1015.46   10.615  1036.45   10.892 -20.99023 15.20878 
1 1 1  -11   29    8 o  413.585   7.2385  592.159   20.720  592.159   20.720   0.0000   0.0000  413.585   7.2385  ?   ?  0.000000 7.238478 
1 1 1  -11   29    9 o  417.004   5.4782  601.921   15.811  603.756   22.053  599.981   22.680  417.589   7.6305  416.275   7.8718 1.314240 10.96312 
1 1 1  -11   29   11 o  632.317   6.6902  1384.48   29.279  1416.78   36.104  1322.44   50.041  639.553   8.1564  617.591   11.707 21.96185 14.26828 
1 1 1  -11   29   13 o   56.943   19.537   10.366   9.2891   17.856   12.518   1.1877   13.857   71.735   22.590   52.787   22.237 18.94862 31.69834 
1 1 1  -11   29   14 o  112.405   12.964   44.570   9.9006   46.836   13.572   41.993   14.474  114.374   17.719  107.668   20.165 6.706253 26.84335 
1 1 1  -11   29   15 o  266.445   6.8360  246.229   12.606  268.728   17.815  223.663   17.841  278.092   9.2558  253.597   10.165 24.49435 13.74747 
1 1 1  -11   29   16 o  150.835   8.6206   79.347   8.9622   81.118   10.306   73.854   18.154  152.339   9.8266  143.412   18.738 8.927719 21.15807 
1 1 1  -11   29   17 o  129.359   10.535   58.788   9.3505   58.954   10.808   58.293   18.643  129.211   12.232  125.716   22.240 3.495453 25.38162 
1 1 1  -11   29   18 o   33.538   15.408  -5.7384   8.1759  -9.9807   8.9810   14.790   19.756   32.309   15.267   72.732   27.934 -40.42307 31.83344 
1 1 1  -11   29   19 f   42.627   17.875   1.5330   8.8875  -1.7474   9.9906   13.976   19.457   41.419   18.169   70.883   27.584 -29.46467 33.03021 
1 1 1  -11   31    1 o  775.392   8.7582  2081.36   47.001  2081.36   47.001   0.0000   0.0000  775.392   8.7582  ?   ?  0.000000 8.758167 
1 1 1  -11   31    2 o  598.670   10.873  1240.98   45.052  1240.98   45.052   0.0000   0.0000  598.670   10.873  ?   ?  0.000000 10.87310 
1 1 1  -11   31    3 o  1311.58   13.090  5957.76  118.824  5957.76  118.824   0.0000   0.0000  1311.58   13.090  ?   ?  0.000000 13.08977 
1 1 1  -11   31    4 o  478.653   5.1041  792.946   16.909  756.032   23.224  834.589   24.667  467.350   7.1800  491.030   7.2582 -23.67944 10.20950 
1 1 1  -11   31    5 o  147.393   9.7452   75.546   9.8853   74.742   11.544   77.756   19.142  146.465   11.480  148.548   19.058 -2.083069 22.24835 
1 1 1  -11   31    6 o  672.454   6.7178  1565.26   31.265  1540.91   37.480  1620.98   56.694  667.163   8.1169  684.122   11.974 -16.95966 14.46560 
1 1 1  -11   31    7 o  946.403   8.2958  3101.00   54.339  3063.52   65.481  3183.90   97.381  940.562   10.059  958.493   14.679 -17.93054 17.79518 
1 1 1  -11   31    8 o  315.901   6.7104  345.467   14.672  341.024   23.515  348.299   18.774  313.772   10.828  317.157   8.5529 -3.385254 13.79841 
1 1 1  -11   31    9 o  342.634   7.7053  406.497   18.272  406.497   18.272   0.0000   0.0000  342.634   7.7053  ?   ?  0.000000 7.705276 
1 1 1  -11   31   10 o  612.304   5.7869  1297.95   24.524  1292.97   33.645  1303.59   35.821  611.020   7.9560  613.493   8.4364 -2.473145 11.59611 
1 1 1  -11   31   11 o  435.061   6.1871  655.425   18.630  669.904   22.738  625.854   32.496  439.776   7.4704  424.837   11.052 14.93860 13.33961 
1 1 1  -11   31   12 o  538.881   7.6850  1006.31   28.662  1052.19   41.113  962.927   39.980  550.659   10.787  526.759   10.966 23.90051 15.38264 
1 1 1  -11   31   13 o  196.925   11.656  135.243   15.815   0.0000   0.0000  135.243   15.815  ?   ?   196.925   11.656 0.000000 11.65561 
1 1 1  -11   31   14 o  318.261   7.1430  351.257   15.734  400.927   28.663  329.836   18.823  339.336   12.205  308.234   8.8235 31.10272 15.06005 
1 1 1  -11   31   15 o  287.253   6.4900  286.178   12.903  302.089   17.675  268.028   18.879  294.875   8.6608  277.597   9.8260 17.27802 13.09803 
1 1 1  -11   31   16 o  158.253   8.3491   87.309   9.1124   92.524   10.330   69.024   19.344  162.798   9.2061  137.807   20.940 24.99055 22.87442 
1 1 1  -11   31   17 o  127.945   11.315   57.691   9.9164   57.691   9.9164   0.0000   0.0000  127.945   11.315  ?   ?  0.000000 11.31499 
1 1 1  -11   31   18 o  144.553   10.174   73.449   10.114   75.771   11.539   65.756   21.005  146.528   11.470  132.250   23.825 14.27756 26.44195 
1 1 1  -11   31   19 o   40.140   17.506  -1.1322   9.1565  -2.9794   10.389   5.2976   19.382   41.032   18.239   62.786   26.366 -21.75409 32.05985 
1 1 1  -11   33    1 o  1585.96   15.483  8714.13  169.949   0.0000   0.0000  8714.13  169.949  ?   ?   1585.96   15.483 0.000000 15.48282 
1 1 1  -11   33    2 o  848.276   6.6080  2490.65   38.796  2434.65   53.605  2552.25   56.218  838.602   9.2358  858.607   9.4603 -20.00525 13.22113 
1 1 1  -11   33    3 o  242.173   5.8388  202.988   9.7864  202.576   13.505  203.444   14.202  241.908   8.0661  242.422   8.4643 -0.5132599 11.69213 
1 1 1  -11   33    4 o  172.089   7.4509  102.514   8.8744   86.705   12.334  119.483   12.778  157.825   11.368  185.496   9.9899 -27.67090 15.13348 
1 1 1  -11   33    5 o  719.593   6.9008  1792.43   34.369  1779.90   41.938  1818.05   59.974  717.024   8.4508  724.514   11.960 -7.490356 14.64445 
1 1 1  -11   33    6 o  1069.74   11.099  3963.32   82.172  3963.32   82.172   0.0000   0.0000  1069.74   11.099  ?   ?  0.000000 11.09862 
1 1 1  -11   33    7 o  832.787   7.6188  2401.10   43.913  2375.66   52.891  2457.56   78.788  828.276   9.2263  842.112   13.518 -13.83685 16.36646 
1 1 1  -11   33    8 o  635.718   6.6689  1399.11   29.342  1428.25   36.106  1342.44   50.353  642.241   8.1229  622.448   11.688 19.79266 14.23355 
1 1 1  -11   33    9 o  333.982   6.5513  386.189   15.144  380.636   18.168  398.829   27.411  331.536   7.9176  339.228   11.675 -7.692535 14.10642 
1 1 1  -11   33   10 o  246.138   13.214  210.781   22.429   0.0000   0.0000  210.781   22.429  ?   ?   246.138   13.214 0.000000 13.21423 
1 1 1  -11   33   11 f   76.887   21.633   21.207   11.996   21.207   11.996   0.0000   0.0000   76.887   21.633  ?   ?  0.000000 21.63288 
1 1 1  -11   33   12 o  208.829   7.8886  151.171   11.402  151.252   14.179  151.024   19.180  208.788   9.8122  207.970   13.396 0.8178864 16.60526 
1 1 1  -11   33   13 f   53.416   19.577   8.0582   9.4665   4.6989   11.926   13.780   15.565   52.963   21.280   68.838   25.122 -15.87549 32.92375 
1 1 1  -11   33   14 o  158.040   9.2014   87.059   10.021  114.327   13.882   57.389   14.481  180.912   11.141  126.879   16.911 54.03313 20.25117 
1 1 1  -11   33   15 o  154.163   9.8313   83.032   10.435  110.226   14.341   52.433   15.213  177.387   11.747  120.511   18.857 56.87611 22.21698 
1 1 1  -11   33   16 o  127.071   9.6661   56.575   8.4373   54.217   9.3739   66.634   19.364  124.147   11.024  135.040   21.434 -10.89397 24.10335 
1 1 1  -11   33   17 o  147.111   8.9441   75.708   9.0635   79.980   9.9976   56.000   21.474  151.096   9.6101  121.386   26.319 29.71009 28.01899 
1 1 1  -11   33   18 o  155.702   9.0193   84.949   9.6779   88.614   10.967   72.049   20.575  158.807   10.029  139.036   22.122 19.77126 24.28958 
1 1 1  -11   35    1 o  1007.62   10.606  3515.53   73.967  3515.53   73.967   0.0000   0.0000  1007.62   10.606  ?   ?  0.000000 10.60638 
1 1 1  -11   35    2 o  843.961   7.6268  2465.62   44.550  2358.05   73.763  2527.40   55.895  825.106   12.917  854.397   9.4523 -29.29126 16.00587 
1 1 1  -11   35    3 o  930.252   7.0714  2995.51   45.528  2911.59   62.621  3089.62   66.311  917.006   9.8667  944.609   10.143 -27.60382 14.15017 
1 1 1  -11   35    4 o  144.796   9.8019   72.930   9.7652   83.680   12.028   52.146   16.725  155.031   11.288  120.904   20.733 34.12698 23.60666 
1 1 1  -11   35    5 o  407.928   5.2631  575.966   14.860  562.872   20.538  590.351   21.526  403.228   7.3590  412.950   7.5318 -9.721466 10.53009 
1 1 1  -11   35    6 o  524.302   5.4012  951.498   19.600  955.460   27.471  947.389   27.972  525.335   7.5554  523.107   7.7260 2.228699 10.80625 
1 1 1  -11   35    7 o  492.107   6.2923  838.336   21.431  843.903   36.279  835.352   26.561  493.577   10.620  491.183   7.8132 2.393951 13.18438 
1 1 1  -11   35    8 o  876.086   7.9275  2657.83   48.069  2648.28   58.324  2678.05   84.873  874.372   9.6378  878.805   13.954 -4.432190 16.95890 
1 1 1  -11   35    9 o  332.563   6.5439  382.947   15.062  368.945   17.975  415.951   27.598  326.383   7.9574  346.395   11.512 -20.01157 13.99415 
1 1 1  -11   35   10 o  194.945   8.5080  131.681   11.479  136.571   13.698  120.146   21.039  198.231   10.017  185.150   16.595 13.08113 19.38332 
1 1 1  -11   35   11 o  176.745   9.2036  108.615   11.220  103.029   13.588  120.585   19.890  171.894   11.487  185.479   15.640 -13.58464 19.40519 
1 1 1  -11   35   12 f  407.390   6.0870  575.006   17.163  584.978   21.031  555.122   29.698  410.793   7.3970  399.794   10.733 10.99945 13.03479 
1 1 1  -11   35   13 o  187.753   10.553  122.916   13.658  152.195   21.157  102.000   17.883  208.294   14.772  170.209   15.345 38.08516 21.29961 
1 1 1  -11   35   14 o   76.796   17.614   21.537   9.1626   42.369   12.569  -2.0867   13.385  108.547   17.312   48.646   21.192 59.90071 27.36456 
1 1 1  -11   35   15 o  225.228   7.0532  176.099   10.995  167.964   14.708  186.402   16.553  219.661   9.6743  231.307   10.340 -11.64566 14.15986 
1 1 1  -11   35   16 o   68.078   21.061   16.631   10.935   20.766   11.802  -8.4585   29.072   75.144   21.565   67.607   30.249 7.537033 37.14891 
1 1 1  -11   35   17 o  210.248   6.8951  153.684   10.033  147.799   11.075  180.634   23.701  206.055   7.7656  225.422   15.281 -19.36665 17.14133 
1 1 1  -11   35   18 o   31.214   15.048 -14.4078   9.7046 -17.2200   11.110  -5.3561   19.933   32.948   15.937   56.092   25.075 -23.14425 29.71137 
1 1 1  -11   37    1 o  600.769   5.5119  1249.23   22.918  1219.47   31.792  1281.43   33.068  593.516   7.7394  608.405   7.8532 -14.88885 11.02590 
1 1 1  -11   37    2 o  350.231   5.3459  424.555   12.958  413.885   17.838  436.480   18.857  345.772   7.4536  355.082   7.6729 -9.308960 10.69723 
1 1 1  -11   37    3 o  1181.31   9.8266  4832.31   80.343  4773.66  137.012  4863.05   99.185  1173.39   16.871  1184.87   12.095 -11.47937 20.75848 
1 1 1  -11   37    4 o  839.374   6.6363  2438.91   38.553  2388.00   53.287  2494.84   55.848  830.441   9.2713  848.802   9.5066 -18.36072 13.27896 
1 1 1  -11   37    5 o  259.739   6.1932  233.537   11.133  230.245   15.226  237.319   16.321  257.867   8.5312  261.790   9.0078 -3.922455 12.40655 
1 1 1  -11   37    6 o  287.829   6.0107  286.784   11.974  271.546   16.610  303.272   17.278  280.031   8.5700  295.941   8.4353 -15.91025 12.02494 
1 1 1  -11   37    7 o  760.592   6.2956  2002.75   33.141  1962.16   45.888  2047.01   47.914  752.697   8.8086  768.786   9.0050 -16.08911 12.59687 
1 1 1  -11   37    8 o  536.237   5.5618  995.470   20.642  1024.06   29.235  967.045   29.149  543.784   7.7678  528.419   7.9703 15.36560 11.12943 
1 1 1  -11   37    9 o  621.005   11.834  1337.56   50.865   0.0000   0.0000  1337.56   50.865  ?   ?   621.005   11.834 0.000000 11.83444 
1 1 1  -11   37   10 o  391.633   6.4089  531.239   17.372  518.360   20.796  560.976   31.600  386.776   7.7686  402.064   11.356 -15.28775 13.75872 
1 1 1  -11   37   11 o  324.532   6.3959  364.892   14.366  357.200   17.359  381.610   25.590  321.002   7.8136  331.492   11.154 -10.49051 13.61846 
1 1 1  -11   37   12 o  137.008   13.655   66.029   12.776   43.049   18.501   86.976   17.663  108.213   25.176  156.929   16.510 -48.71577 30.10698 
1 1 1  -11   37   13 o  313.659   6.4565  341.096   14.016  365.999   17.563  297.415   23.260  324.766   7.8136  292.293   11.498 32.47266 13.90163 
1 1 1  -11   37   14 o  171.635   8.6539  102.627   10.247  106.453   13.654   97.694   15.505  174.397   11.374  166.629   13.562 7.767487 17.70026 
1 1 1  -11   37   15 o  216.339   7.2231  162.550   10.815  185.598   14.646  134.911   16.039  230.914   9.1643  196.140   11.871 34.77402 14.99651 
1 1 1  -11   37   16 o  126.126   11.313   56.086   9.7701   60.643   12.493   48.912   15.677  130.561   14.047  115.305   20.390 15.25540 24.75966 
1 1 1  -11   37   17 o   54.197   18.623   9.7594   8.4414   12.191   9.3035  -1.5698   20.080   59.219   19.546   59.193   25.867 0.2631760E-01 32.42113 
1 1 1  -11   37   18 o   47.594   18.642   5.3148   8.9309   10.038   9.8546 -16.3951   21.128   55.909   20.047   51.447   24.025 4.461502 31.29029 
1 1 1  -11   39    1 o  327.128   5.5306  370.406   12.522  350.856   16.930  394.015   18.605  318.346   7.6841  337.353   7.9683 -19.00705 11.06975 
1 1 1  -11   39    2 o  571.149   5.5456  1129.13   21.922  1080.05   29.870  1186.43   32.273  558.538   7.7270  585.391   7.9656 -26.85291 11.09762 
1 1 1  -11   39    3 f  910.259   8.0821  2868.79   50.917  2819.10   61.329  2979.02   91.344  902.231   9.8214  927.086   14.236 -24.85492 17.29503 
1 1 1  -11   39    4 o  1060.68   9.0656  3895.95   66.551  3739.02  110.556  3985.13   83.343  1038.42   15.383  1072.55   11.227 -34.12817 19.04406 
1 1 1  -11   39    5 o  1016.01   7.6067  3574.16   53.490  3504.67   74.061  3649.95   77.337  1005.83   10.639  1026.44   10.886 -20.61029 15.22146 
1 1 1  -11   39    6 o  339.680   6.6384  399.471   15.607  398.976   26.418  399.737   19.343  339.323   11.249  339.751   8.2259 -0.4278259 13.93564 
1 1 1  -11   39    7 o  958.136   7.3058  3178.97   48.448  3180.03   68.390  3177.91   68.641  957.984   10.315  957.659   10.356 0.3247681 14.61654 
1 1 1  -11   39    8 o  574.151   5.6566  1141.33   22.478  1102.18   30.611  1187.15   33.113  564.089   7.8408  585.405   8.1727 -21.31604 11.32565 
1 1 1  -11   39    9 o  1028.06   8.8841  3663.28   63.213  3557.01   75.124  3920.98  116.989  1012.67   10.719  1061.75   15.920 -49.07538 19.19215 
1 1 1  -11   39   10 o  321.049   5.9728  357.022   13.272  355.112   17.750  359.444   19.987  320.071   8.0125  321.949   8.9698 -1.878265 12.02740 
1 1 1  -11   39   11 o  284.724   6.7907  280.964   13.382  272.363   16.031  300.732   24.304  280.230   8.2653  294.106   11.940 -13.87555 14.52131 
1 1 1  -11   39   12 o  179.749   8.5331  112.143   10.616  117.241   13.056  102.195   18.237  183.376   10.329  170.301   15.647 13.07495 18.74885 
1 1 1  -11   39   13 o  408.403   10.633  580.488   30.056   0.0000   0.0000  580.488   30.056  ?   ?   408.403   10.633 0.000000 10.63327 
1 1 1  -11   39   14 o  113.034   11.907   45.084   9.1751   60.973   12.158   24.066   13.984  131.312   13.574   81.090   23.533 50.22231 27.16683 
1 1 1  -11   39   15 o   61.827   19.077   13.618   8.9785   16.964   11.691   8.8062   14.018   69.059   21.841   60.340   23.432 8.719177 32.03245 
1 1 1  -11   39   16 o  236.946   6.9310  195.163   11.366  192.118   14.397  200.202   18.519  234.755   8.8611  239.124   11.189 -4.368988 14.27314 
1 1 1  -11   39   17 o   77.017   18.193   22.128   9.5435   28.599   10.948   1.6424   19.478   87.621   18.626   60.480   25.951 27.14095 31.94332 
1 1 1  -11   41    1 o  1064.93   7.8728  3926.56   58.026  3808.79   79.484  4060.94   84.907  1048.58   10.952  1082.69   11.331 -34.11536 15.75876 
1 1 1  -11   41    2 o  729.215   6.1652  1840.78   31.116  1783.68   42.569  1906.28   45.595  717.707   8.5698  741.944   8.8790 -24.23730 12.34013 
1 1 1  -11   41    3 o  270.255   6.2753  252.844   11.738  254.900   16.087  250.502   17.165  271.310   8.5669  268.945   9.2215 2.364624 12.58682 
1 1 1  -11   41    4 o  666.148   5.9462  1536.17   27.415  1502.09   38.089  1572.81   39.491  658.605   8.3559  673.924   8.4666 -15.31952 11.89558 
1 1 1  -11   41    5 o  820.467   9.3526  2331.77   53.109   0.0000   0.0000  2331.77   53.109  ?   ?   820.467   9.3526 0.000000 9.352552 
1 1 1  -11   41    6 o  661.493   5.9409  1514.92   27.199  1496.05   37.805  1535.18   39.161  657.218   8.3113  665.745   8.4990 -8.526733 11.88738 
1 1 1  -11   41    7 o  402.353   7.9370  560.768   22.102   0.0000   0.0000  560.768   22.102  ?   ?   402.353   7.9370 0.000000 7.936989 
1 1 1  -11   41    8 o  359.298   5.6672  447.021   14.093  456.250   19.454  436.828   20.444  362.889   7.7456  355.050   8.3195 7.839691 11.36699 
1 1 1  -11   41    9 o  214.335   8.3965  159.254   12.456  156.732   19.815  160.903   16.016  211.904   13.582  215.322   10.747 -3.418182 17.31953 
1 1 1  -11   41   10 o  257.631   6.5237  229.991   11.632  242.770   15.542  213.716   17.540  264.572   8.4876  248.113   10.214 16.45871 13.28037 
1 1 1  -11   41   11 o  477.113   6.4871  789.005   21.421  778.537   34.952  795.303   27.110  473.296   10.670  478.789   8.1810 -5.492371 13.44525 
1 1 1  -11   41   12 o  324.580   5.8612  365.157   13.167  377.789   17.787  349.842   19.585  329.946   7.7888  317.369   8.9161 12.57629 11.83905 
1 1 1  -11   41   13 o  219.912   7.5862  167.901   11.546  153.731   13.896  199.512   20.754  210.228   9.5501  238.717   12.606 -28.48900 15.81518 
1 1 1  -11   41   14 o  131.294   12.496   60.822   11.219   60.821   12.262   60.829   27.794  131.036   13.724  125.894   31.869 5.142387 34.69814 
1 1 1  -11   41   15 o  193.720   7.7999  130.532   10.458  145.595   13.692  109.439   16.202  204.312   9.6826  176.020   13.400 28.29147 16.53219 
1 1 1  -11   41   16 o  194.694   7.9739  132.033   10.745  132.338   13.936  131.587   16.872  194.207   10.406  193.008   12.702 1.199799 16.41994 
1 1 1  -11   41   17 o   38.902   17.176  -2.1803   9.0625   4.2341   12.001 -10.6904   13.824   51.455   21.097   42.317   19.651 9.138153 28.83173 
1 1 1  -11   43    1 o  583.306   5.6242  1177.81   22.706  1146.76   31.267  1212.46   33.026  575.479   7.8503  591.724   8.0642 -16.24518 11.25421 
1 1 1  -11   43    2 o  343.274   6.5140  407.962   15.476  411.165   18.591  400.732   27.931  344.587   7.7953  340.047   11.868 4.540283 14.19890 
1 1 1  -11   43    3 f  558.830   5.6086  1081.07   21.693  1083.17   30.310  1078.87   31.060  559.280   7.8303  558.159   8.0402 1.121094 11.22309 
1 1 1  -11   43    4 o  557.144   5.5857  1074.59   21.539  1066.37   30.094  1083.23   30.840  554.909   7.8359  559.271   7.9675 -4.362488 11.17507 
1 1 1  -11   43    5 o   77.012   19.766   21.415   10.589   26.020   16.909   18.445   13.581   86.085   26.108   73.614   23.567 12.47094 35.17151 
1 1 1  -11   43    6 o  592.675   11.253  1218.05   46.161  1218.05   46.161   0.0000   0.0000  592.675   11.253  ?   ?  0.000000 11.25328 
1 1 1  -11   43    7 o  690.959   6.0556  1653.35   28.959  1623.51   40.248  1685.39   41.699  684.456   8.4962  697.361   8.6396 -12.90491 12.11730 
1 1 1  -11   43    8 f  224.975   8.1021  175.432   12.616  179.696   15.041  165.317   23.167  227.622   9.5477  217.391   15.499 10.23071 18.20379 
1 1 1  -11   43    9 o  490.296   11.458  835.122   38.882   0.0000   0.0000  835.122   38.882  ?   ?   490.296   11.458 0.000000 11.45804 
1 1 1  -11   43   10 o  527.581   5.5915  964.298   20.417  919.549   27.317  1020.93   30.731  514.940   7.6649  542.505   8.1847 -27.56482 11.21337 
1 1 1  -11   43   11 o  184.566   7.8881  118.201   10.076  122.196   13.107  112.429   15.756  187.222   10.153  179.165   12.790 8.056534 16.33017 
1 1 1  -11   43   12 o  139.273   9.7354   67.781   9.3251   74.420   12.159   58.300   14.531  145.585   12.179  127.800   16.838 17.78528 20.78104 
1 1 1  -11   43   13 o  179.484   8.0752  111.940   10.031  133.864   13.455   84.502   15.052  195.817   9.9606  154.650   14.222 41.16699 17.36305 
1 1 1  -11   43   14 o  293.233   6.1032  298.409   12.387  306.660   16.458  287.629   18.811  296.955   8.0077  287.315   9.4598 9.639740 12.39401 
1 1 1  -11   43   15 o  209.677   9.3183  153.367   13.523  153.367   13.523   0.0000   0.0000  209.677   9.3183  ?   ?  0.000000 9.318318 
1 1 1  -11   43   16 o  115.103   12.004   47.079   9.4224   41.168   12.481   54.911   14.368  105.938   17.643  122.783   17.394 -16.84476 24.77517 
1 1 1  -11   45    1 o  368.849   7.5446  471.137   19.260  471.137   19.260   0.0000   0.0000  368.849   7.5446  ?   ?  0.000000 7.544554 
1 1 1  -11   45    2 o  308.070   5.9632  328.581   12.715  306.594   17.306  354.372   18.743  297.517   8.4043  319.859   8.4664 -22.34106 11.92951 
1 1 1  -11   45    3 o  464.971   7.8727  748.801   25.335   0.0000   0.0000  748.801   25.335  ?   ?   464.971   7.8727 0.000000 7.872658 
1 1 1  -11   45    4 o  483.249   6.3878  808.646   21.365  780.976   36.302  823.309   26.427  474.615   11.051  487.534   7.8317 -12.91928 13.54488 
1 1 1  -11   45    5 o  239.108   6.7701  198.009   11.204  195.923   15.460  200.315   16.259  237.757   9.3950  240.392   9.7725 -2.634903 13.55609 
1 1 1  -11   45    6 o  314.302   6.7968  342.182   14.785  352.488   24.533  336.305   18.528  318.744   11.121  311.502   8.5939 7.242310 14.05445 
1 1 1  -11   45    7 o  380.266   6.4248  500.918   16.909  502.576   20.668  497.561   29.405  380.800   7.8421  378.594   11.222 2.206024 13.69067 
1 1 1  -11   45    8 o   69.805   18.803   17.613   9.2881  -3.7927   12.578   43.282   13.774   45.804   20.228  109.769   18.807 -63.96498 27.62015 
1 1 1  -11   45    9 o  364.028   5.6332  459.088   14.193  450.927   19.471  468.340   20.731  360.594   7.8017  367.455   8.1516 -6.860840 11.28342 
1 1 1  -11   45   10 o  352.993   5.6752  431.777   13.865  431.548   18.827  432.048   20.495  352.700   7.7126  352.824   8.3931 -0.1243286 11.39859 
1 1 1  -11   45   11 o  150.234   9.1452   78.716   9.4639   69.921   12.236   91.812   14.931  141.030   12.671  161.614   13.471 -20.58389 18.49374 
1 1 1  -11   45   12 o  170.126   8.3653  100.573   9.8498   87.505   12.679  120.468   15.644  157.960   11.680  185.361   12.263 -27.40146 16.93534 
1 1 1  -11   45   13 o  254.453   16.404  229.219   28.736   0.0000   0.0000  229.219   28.736  ?   ?   254.453   16.404 0.000000 16.40433 
1 1 1  -11   45   14 o   71.739   18.092   19.001   8.9817   10.330   11.719   31.346   13.983   59.149   21.766   91.511   22.285 -32.36154 31.15118 
1 1 1  -11   45   15 o  111.446   15.338   44.775   11.518   56.780   18.652   37.376   14.643  123.201   22.711   99.754   21.816 23.44780 31.49179 
1 1 1  -11   45   16 o   42.996   18.061   1.4790   9.0990   7.9402   11.738  -8.2503   14.403   55.467   21.469   45.028   20.600 10.43887 29.75336 
1 1 1  -11   47    1 o  317.889   5.8329  349.891   12.833  359.462   17.798  339.525   18.522  322.132   7.9827  313.048   8.5488 9.083679 11.69639 
1 1 1  -11   47    2 o  569.126   6.4524  1121.67   25.416  1107.93   30.761  1151.22   45.119  565.535   7.8590  576.161   11.314 -10.62573 13.77609 
1 1 1  -11   47    3 o  271.137   6.3923  254.591   11.996  272.774   16.861  235.957   17.069  280.566   8.6833  260.913   9.4523 19.65292 12.83535 
1 1 1  -11   47    4 o  125.217   11.197   54.826   9.6012   55.761   12.816   53.630   14.495  125.774   15.019  122.898   17.539 2.875549 23.09100 
1 1 1  -11   47    5 o  144.919   9.8090   73.167   9.7805   68.931   12.991   78.711   14.861  140.198   13.557  149.766   14.519 -9.568024 19.86451 
1 1 1  -11   47    6 o  304.465   5.8101  321.073   12.243  311.184   16.872  332.072   17.794  299.613   8.1362  309.495   8.3072 -9.881195 11.62788 
1 1 1  -11   47    7 o  111.075   14.635   43.698   10.977   47.444   17.806   41.401   13.941  114.159   23.324  107.152   19.517 7.006424 30.41284 
1 1 1  -11   47    8 o  295.401   6.1685  302.376   12.612  299.130   17.010  306.338   18.794  293.648   8.3696  297.095   9.1400 -3.447235 12.39310 
1 1 1  -11   47    9 f  138.007   12.033   66.793   11.378   26.112   18.265   92.590   14.545   86.076   27.307  162.497   13.043 -76.42087 30.26196 
1 1 1  -11   47   10 o  268.270   6.2602  249.519   11.623  248.796   15.621  250.415   17.399  267.677   8.4316  268.441   9.3647 -0.7636108 12.60122 
1 1 1  -11   47   11 f   62.782   18.911   14.050   8.8941   8.0905   11.811   21.857   13.517   56.680   21.639   77.769   23.288 -21.08902 31.78968 
1 1 1  -11   47   12 o  257.778   6.5001  230.601   11.597  234.469   15.207  225.225   17.928  259.677   8.4611  254.235   10.189 5.441727 13.24382 
1 1 1  -11   47   13 o   92.370   14.614   30.721   9.0321   32.378   11.717   28.295   14.179   93.890   18.688   87.047   23.138 6.843391 29.74241 
1 1 1  -11   47   14 o  189.553   7.9206  125.076   10.391  136.188   13.799  110.519   15.793  197.169   10.146  176.849   12.994 20.31952 16.48600 
1 1 1  -11   47   15 f   82.211   16.466   24.908   9.0427   24.731   11.913   25.148   13.890   81.004   21.055   81.581   23.390 -0.5766296 31.47066 
1 1 1  -11   49    1 o  585.492   5.6810  1187.09   23.021  1155.97   31.839  1221.17   33.325  577.580   7.9646  593.631   8.1111 -16.05078 11.36774 
1 1 1  -11   49    3 o  140.764   10.911   69.169   10.547   63.687   12.915   80.146   18.275  134.628   14.068  150.589   17.884 -15.96182 22.75444 
1 1 1  -11   49    4 o  327.919   5.8352  372.439   13.243  360.594   18.068  386.192   19.468  322.533   8.0940  333.762   8.4278 -11.22858 11.68507 
1 1 1  -11   49    5 o  172.010   8.2295  102.584   9.7972   96.069   13.114  110.814   14.739  165.915   11.491  178.184   12.022 -12.26862 16.62992 
1 1 1  -11   49    6 o  498.878   6.2714  862.331   21.654  870.066   26.511  846.829   37.533  500.960   7.6463  493.742   10.983 7.217316 13.38276 
1 1 1  -11   49    7 o  163.194   8.9497   92.702   10.070  115.552   13.962   67.928   14.538  181.993   11.138  138.685   15.406 43.30756 19.01063 
1 1 1  -11   49    8 o   47.191   19.570   2.0667   10.484   6.5902   16.611  -0.9283   13.516   62.251   25.079   50.031   21.545 12.21983 33.06254 
1 1 1  -11   49    9 o  263.176   7.5273  240.326   13.711  175.073   21.837  282.793   17.616  223.426   14.195  285.330   8.9205 -61.90359 16.76513 
1 1 1  -11   49   10 o  195.160   7.7424  132.238   10.458  142.246   14.184  120.317   15.480  201.918   10.182  185.328   12.136 16.59009 15.84150 
1 1 1  -11   49   11 o  181.294   8.0601  114.214   10.113  115.046   13.578  113.176   15.157  181.329   10.869  179.574   12.269 1.755142 16.39101 
1 1 1  -11   49   12 f   66.477   18.836   16.122   9.0617   21.089   12.168   9.9375   13.578   75.812   21.938   61.118   23.232 14.69365 31.95333 
1 1 1  -11   49   13 f   85.496   16.018   26.658   9.1298   28.403   12.154   24.398   13.831   87.324   20.466   80.999   23.375 6.324768 31.06855 
1 1 1  -11   49   14 o   62.980   20.595   13.965   10.338   22.459   16.165   8.0873   13.447   78.627   25.755   58.278   22.861 20.34903 34.43801 
1 1 1  -11   49   15 o   38.870   17.122  -1.9593   8.9554  -4.7460   11.763   1.8824   13.812   42.442   19.096   52.016   22.072 -9.573814 29.18585 
1 1 1  -11   51    1 o  447.415   5.4215  693.279   16.788  699.805   23.559  686.545   23.930  449.349   7.5752  445.053   7.7689 4.295258 10.85081 
1 1 1  -11   51    2 o  348.775   6.6435  421.469   16.037  431.951   27.880  416.286   19.605  352.668   11.422  346.516   8.1745 6.151550 14.04603 
1 1 1  -11   51    3 o  385.653   5.4628  515.129   14.581  517.180   20.130  512.864   21.150  386.270   7.5296  384.619   7.9451 1.650665 10.94615 
1 1 1  -11   51    4 o  484.868   7.9939  815.184   26.826   0.0000   0.0000  815.184   26.826  ?   ?   484.868   7.9939 0.000000 7.993931 
1 1 1  -11   51    5 o  121.611   11.043   51.808   9.1934   36.731   12.164   71.894   14.040  100.989   18.067  142.928   14.388 -41.93955 23.09581 
1 1 1  -11   51    6 o  207.935   8.3389  150.016   12.001  169.561   19.192  137.467   15.378  220.338   12.638  198.524   11.238 21.81416 16.91212 
1 1 1  -11   51    7 o  232.006   6.7345  186.627   10.814  178.068   14.452  197.514   16.300  226.435   9.2218  238.415   9.8784 -11.98076 13.51382 
1 1 1  -11   51    8 o   84.945   19.179   26.387   11.009   40.171   18.289   18.555   13.786  104.123   25.566   73.247   23.774 30.87531 34.91180 
1 1 1  -11   51    9 o  170.894   12.375  102.426   14.538  127.561   19.948   73.951   21.232  190.198   15.282  142.729   22.216 47.46875 26.96446 
1 1 1  -11   51   10 o   58.480   19.537   11.497   9.2860  -2.5696   12.401   29.450   14.010   46.180   20.250   89.141   22.660 -42.96098 30.38973 
1 1 1  -11   51   11 o   99.172   15.867   35.472   10.523   37.066   11.839   29.468   22.972  101.001   17.574   91.145   30.728 9.855789 35.39827 
1 1 1  -11   51   12 o   81.676   16.512   24.421   9.0132   23.949   11.517   25.167   14.478   80.256   20.623   82.329   23.960 -2.073189 31.61336 
1 1 1  -11   51   13 o   36.946   16.676  -4.3920   9.0547 -24.8518   12.469   18.431   13.170   32.504   15.972   71.716   23.234 -39.21215 28.19439 
1 1 1  -11   51   14 o  124.613   10.962   54.915   9.3583   40.831   12.979   70.164   13.505  105.105   18.519  140.062   14.125 -34.95701 23.29099 
1 1 1  -11   53    1 o   76.260   18.552   21.156   9.6985   16.332   15.171   24.490   12.612   71.672   24.947   82.052   21.828 -10.38052 33.14775 
1 1 1  -11   53    2 o   47.102   18.260   4.9334   8.5010   12.942   11.498  -4.7237   12.626   63.363   21.736   45.083   20.069 18.28040 29.58453 
1 1 1  -11   53    3 o  343.581   5.6074  408.962   13.334  416.411   18.616  401.114   19.108  346.521   7.7623  340.063   8.1186 6.457977 11.23229 
1 1 1  -11   53    4 o  283.453   6.7863  278.518   13.313  276.727   16.167  282.293   23.467  282.422   8.2709  284.859   11.903 -2.437286 14.49415 
1 1 1  -11   53    5 o  198.535   7.4235  136.705   10.201  137.292   13.584  135.947   15.446  198.790   9.8732  197.368   11.356 1.422333 15.04750 
1 1 1  -11   53    6 o  113.589   13.224   45.589   10.201   46.997   12.236   42.380   18.475  114.862   15.811  107.082   25.325 7.779900 29.85561 
1 1 1  -11   53    7 o  107.903   14.750   41.452   10.727   39.185   17.535   42.807   13.560  102.865   24.898  108.833   18.675 -5.967827 31.12281 
1 1 1  -11   53    8 o  281.590   6.0888  274.960   11.867  288.178   16.256  259.880   17.363  288.045   8.1540  273.405   9.1755 14.64063 12.27511 
1 1 1  -11   53    9 o   43.952   18.143   2.1332   8.9499  -5.8216   12.035   11.976   13.387   42.707   19.256   63.646   23.288 -20.93846 30.21737 
1 1 1  -11   53   10 o  222.166   8.5481  171.699   13.144  168.342   21.834  173.607   16.461  218.454   14.523  223.075   10.662 -4.620560 18.01676 
1 1 1  -11   53   11 o  106.539   12.909   40.373   9.3241   37.038   12.179   45.096   14.493  100.674   18.147  110.919   19.595 -10.24462 26.70736 
1 1 1  -11   53   12 o  137.686   9.9969   66.567   9.4615   66.212   12.431   67.056   14.588  136.557   13.322  136.774   15.694 -0.2175598 20.58620 
1 1 1  -11   53   13 o   98.474   14.093   34.954   9.3312   29.837   12.417   41.593   14.144   89.092   20.556  105.704   20.066 -16.61164 28.72616 
1 1 1  -11   55    1 o   89.473   17.595   28.987   10.508   32.298   19.120   27.555   12.577   94.256   27.564   86.777   21.137 7.478340 34.73553 
1 1 1  -11   55    2 o  210.682   6.9986  153.906   10.205  145.120   13.910  164.149   15.018  204.384   9.8330  217.359   9.9832 -12.97447 14.01258 
1 1 1  -11   55    3 o   88.544   14.876   28.109   8.7930   26.851   11.941   29.599   12.996   85.661   20.428   89.880   21.230 -4.219574 29.46232 
1 1 1  -11   55    4 o  153.358   10.452   82.156   11.027   75.235   12.725  103.024   22.097  146.388   12.685  170.160   19.092 -23.77141 22.92192 
1 1 1  -11   55    5 o  345.786   6.4099  414.583   15.340  415.134   18.488  413.366   27.486  345.863   7.7233  344.528   11.527 1.335358 13.87520 
1 1 1  -11   55    6 o  161.061   8.4407   90.346   9.3763   87.795   12.515   93.609   14.156  158.329   11.499  163.320   12.622 -4.990707 17.07443 
1 1 1  -11   55    7 o  153.000   8.8663   81.642   9.3486   77.374   12.259   87.572   14.451  148.439   12.037  157.727   13.363 -9.287933 17.98489 
1 1 1  -11   55    8 o  166.114   8.5790   96.191   9.8296   94.906   13.268   97.754   14.634  164.478   11.733  166.732   12.779 -2.254013 17.34779 
1 1 1  -11   55    9 o  242.308   6.6627  203.829   11.174  196.551   14.881  213.235   16.918  237.624   9.0483  247.365   9.8818 -9.740585 13.39858 
1 1 1  -11   55   10 o   79.737   19.949   23.578   10.982   26.433   12.889   16.015   20.979   84.218   21.905   75.602   28.845 8.615761 36.21951 
1 1 1  -11   55   11 o  134.783   12.520   64.306   11.546   89.171   20.078   52.023   14.112  156.933   18.864  119.751   17.548 37.18264 25.76336 
1 1 1  -11   55   12 o  132.395   11.587   61.991   10.510   64.585   15.969   60.009   13.960  133.303   17.750  129.009   15.976 4.293869 23.88115 
1 1 1  -11   55   13 o  128.937   11.124   58.875   9.8295   57.360   13.053   60.861   14.940  125.994   15.281  129.159   17.135 -3.164604 22.95912 
1 1 1  -11   57    1 o  186.147   7.6503  120.238   9.8563  126.615   13.727  113.452   14.161  190.513   10.451  180.163   11.415 10.35014 15.47666 
1 1 1  -11   57    2 o  159.922   8.6480   89.076   9.5363   94.054   13.295   83.801   13.686  163.901   11.799  154.475   12.919 9.425690 17.49671 
1 1 1  -11   57    3 o   91.821   14.262   30.145   8.7697   18.247   11.899   44.290   12.975   71.624   21.939  111.015   17.463 -39.39130 28.04048 
1 1 1  -11   57    4 o  349.549   6.5379  423.770   15.817  422.390   26.286  424.553   19.803  348.291   10.904  349.652   8.1833 -1.360962 13.63342 
1 1 1  -11   57    5 o  142.482   9.5366   70.921   9.3500   80.111   12.557   59.483   14.008  151.060   12.112  129.246   16.002 21.81422 20.06872 
1 1 1  -11   57    6 o  303.321   7.9876  319.611   16.769  323.707   22.959  314.927   24.549  304.758   10.885  300.408   11.807 4.350098 16.05902 
1 1 1  -11   57    7 o  127.753   10.092   57.207   8.8506   61.527   11.522   50.988   13.824  132.033   12.768  119.051   17.282 12.98276 21.48694 
1 1 1  -11   57    8 o  130.639   10.607   59.929   9.5077   67.135   12.690   50.707   14.356  137.736   13.484  118.378   18.097 19.35862 22.56812 
1 1 1  -11   57    9 o   39.906   17.838  -3.9060   10.085   0.1446   11.741 -15.3024   19.694   47.223   20.202   50.609   23.486 -3.386147 30.97904 
1 1 1  -11   57   10 o  100.490   14.214   36.259   9.6103   29.698   12.739   44.925   14.640   89.142   20.994  110.419   19.889 -21.27602 28.91942 
1 1 1  -11   57   11 o  144.671   12.621   74.185   12.510   61.512   21.089   81.066   15.540  127.373   24.815  150.532   15.120 -23.15955 29.05814 
1 1 1  -11   57   12 o  135.326   14.085   65.605   12.999   65.605   12.999   0.0000   0.0000  135.326   14.085  ?   ?  0.000000 14.08513 
1 1 1  -11   59    1 o   47.333   18.347   5.1018   8.5810   9.9662   11.504  -1.0004   12.884   58.785   21.575   48.613   20.985 10.17187 30.09732 
1 1 1  -11   59    2 o   96.459   13.645   33.157   8.8551   32.877   11.966   33.496   13.166   94.937   18.876   95.519   20.526 -0.5817871 27.88598 
1 1 1  -11   59    3 o  165.930   11.520   96.463   13.147   99.317   17.276   92.537   20.266  167.665   15.048  160.932   18.533 6.732376 23.87311 
1 1 1  -11   59    4 o  252.227   7.2273  220.857   12.617  227.932   15.289  205.756   22.337  256.063   8.6269  242.163   13.379 13.89909 15.91941 
1 1 1  -11   59    5 o  179.594   7.9450  112.074   9.8755   98.318   13.473  128.044   14.517  167.415   11.702  191.295   11.011 -23.87964 16.06787 
1 1 1  -11   59    6 o   46.329   18.083   4.7507   8.3811   8.0611   11.269   0.6531   12.537   55.685   21.166   49.352   20.988 6.333004 29.80743 
1 1 1  -11   59    7 o  106.693   13.824   40.602   9.9683   41.904   11.649   37.044   19.263  107.869   16.097   99.059   27.245 8.809914 31.64505 
1 1 1  -11   59    8 o  159.768   8.6472   89.143   9.5263   86.572   12.485   92.726   14.738  156.871   11.581  161.982   13.262 -5.110428 17.60694 
1 1 1  -11   59    9 o   40.072   17.411  -1.0946   8.9859  -2.8444   11.804   1.3171   13.858   44.448   19.614   52.046   22.098 -7.597267 29.54713 
1 1 1  -11   59   10 o   53.260   19.293   8.6801   9.1554   8.4134   12.177   9.0269   13.885   56.937   21.915   59.934   23.308 -2.997341 31.99274 
1 1 1  -11   59   11 o  140.348   10.502   69.469   10.127   81.443   13.673   54.915   15.074  151.243   13.194  122.245   18.385 28.99794 22.62961 
1 1 1  -11   61    1 o  270.379   6.1371  253.597   11.485  247.003   15.445  261.751   17.176  266.564   8.3716  274.303   9.0471 -7.738983 12.32610 
1 1 1  -11   61    2 o  134.244   11.354   63.328   10.451   59.489   12.288   73.366   19.869  129.576   13.920  142.237   20.798 -12.66110 25.02596 
1 1 1  -11   61    3 o  106.905   12.370   40.475   8.9838   30.710   12.022   52.826   13.520   91.366   19.599  121.383   16.522 -30.01675 25.63383 
1 1 1  -11   61    4 o   48.233   19.555   3.6868   10.169   19.366   16.655  -5.6323   12.840   75.843   26.153   44.443   19.977 31.40067 32.90978 
1 1 1  -11   61    5 f   53.533   18.939   8.9758   8.7667   15.050   11.928   1.8398   12.929   66.294   22.143   51.171   21.514 15.12277 30.87289 
1 1 1  -11   61    6 o  231.732   6.6706  186.500   10.699  174.642   14.220  201.967   16.241  223.887   9.1769  240.661   9.7503 -16.77380 13.38971 
1 1 1  -11   61    7 o  128.819   10.378   58.331   9.1745   56.569   12.095   60.720   14.079  126.016   14.110  130.109   15.970 -4.092964 21.31047 
1 1 1  -11   61    8 o  134.678   11.478   64.008   10.597   59.162   12.402   77.122   20.401  128.786   14.147  144.953   20.942 -16.16714 25.27241 
1 1 1  -11   61    9 f   38.929   17.158  -2.1487   9.0063   8.2630   11.878 -16.2310   13.814   56.312   21.652   39.251   18.660 17.06068 28.58316 
1 1 1  -11   61   10 o  115.382   13.546   47.723   10.612   49.805   15.824   46.022   14.306  115.479   20.551  111.388   19.253 4.090645 28.16066 
1 1 1  -11   63    1 o  157.787   8.8529   86.931   9.6289   95.463   12.671   75.271   14.812  164.954   11.165  145.551   14.915 19.40288 18.63058 
1 1 1  -11   63    2 o  141.598   9.6125   70.188   9.3646   72.447   12.501   67.300   14.136  143.260   12.741  137.481   15.105 5.778748 19.76092 
1 1 1  -11   63    3 o  281.664   6.1061  275.348   11.903  275.111   16.108  275.634   17.668  281.199   8.2766  281.314   9.0745 -0.1147461 12.28202 
1 1 1  -11   63    5 o  271.076   7.2527  255.451   13.607  255.902   22.418  255.188   17.122  270.254   11.985  270.574   9.1431 -0.3199768 15.07441 
1 1 1  -11   63    6 f  131.518   10.195   60.788   9.2077   66.510   12.253   53.365   13.956  136.953   13.086  121.458   17.073 15.49512 21.51131 
1 1 1  -11   63    7 o  215.630   7.8893  161.919   11.774  164.277   14.138  156.585   21.268  216.905   9.4178  209.937   14.730 6.967972 17.48368 
1 1 1  -11   63    8 o   50.145   19.672   5.7704   9.9582   9.8141   11.796  -4.2580   18.577   58.173   21.755   54.989   24.419 3.184734 32.70369 
1 1 1  -11   65    1 o   82.618   18.876   25.271   10.558   29.806   12.051   10.302   21.894   89.616   19.944   71.198   28.753 18.41796 34.99300 
1 1 1  -11   65    2 o  136.864   10.186   65.768   9.5798   66.573   12.435   64.593   15.025  137.024   13.279  134.073   16.542 2.951233 21.21272 
1 1 1  -11   65    3 f  104.196   12.828   38.679   9.0557   42.317   12.168   34.164   13.558  108.019   16.824   95.719   21.039 12.30004 26.93791 
1 1 1  -11   65    4 o   52.957   18.594   8.9854   8.4371   4.4561   11.549   14.170   12.356   51.348   20.832   65.054   22.521 -13.70596 30.67791 
1 1 1  -11   65    5 o   85.341   15.934   26.625   9.0656   28.996   12.276   23.780   13.445   88.021   20.528   79.765   23.054 8.256783 30.86890 
1 1 1  -11   65    7 o   68.882   18.373   17.682   8.9203   22.825   12.166   11.702   13.118   77.817   21.747   62.053   22.993 15.76393 31.64840 
1 1 1  -11   67    1 o   82.766   17.127   25.250   9.4873   24.434   12.938   26.198   13.953   80.713   22.380   83.436   23.280 -2.722832 32.29291 
1 1 1  -11   67    2 o  103.906   14.574   38.872   10.193   40.256   12.186   35.649   18.598  104.964   17.383   96.388   26.870 8.575745 32.00253 
1 1 1  -11   67    3 o  105.111   12.696   39.425   9.0490   37.189   11.986   42.389   13.798  100.601   17.870  107.091   19.328 -6.490143 26.32268 
1 1 1  -11   67    4 o   97.387   13.554   34.098   8.8883   37.816   11.779   29.182   13.545  101.535   17.387   87.765   22.264 13.77039 28.24900 
1 1 1  -11   67    5 o  124.928   10.764   55.149   9.2159   52.956   11.980   58.329   14.424  121.367   14.552  126.680   16.871 -5.313194 22.27997 
1 1 1  -11   69    1 o   36.437   16.551  -4.9166   9.0888 -10.7402   12.109   2.5976   13.755   38.884   18.168   52.723   22.179 -13.83907 28.67061 
1 1 1  -11   69    2 o   47.937   19.586   3.6542   10.298 -19.7561   16.354   19.036   13.256   42.139   20.108   72.179   23.302 -30.03980 30.77886 
1 1 1  -10    0    1 o  1480.31   20.395  7590.24  208.862  7590.24  208.862  7590.24  208.862  1480.31   20.395  1480.31   20.395 0.000000 0.000000 
1 1 1  -10    0    2 o  420.634   8.9713  613.171   26.091  613.171   26.091  613.171   26.091  420.634   8.9713  420.634   8.9713 0.000000 0.000000 
1 1 1  -10    0    3 o  1597.65   15.465  8837.86  170.974  8837.86  170.974  8837.86  170.974  1597.65   15.465  1597.65   15.465 0.000000 0.000000 
1 1 1  -10    0    4 o  1133.39   11.463  4447.58   89.900  4447.58   89.900  4447.58   89.900  1133.39   11.463  1133.39   11.463 0.000000 0.000000 
1 1 1  -10    0    5 o  641.019   7.7781  1422.80   34.497  1422.80   34.497  1422.80   34.497  641.019   7.7781  641.019   7.7781 0.000000 0.000000 
1 1 1  -10    0    6 o  309.042   7.1083  331.098   15.186  331.098   15.186  331.098   15.186  309.042   7.1083  309.042   7.1083 0.000000 0.000000 
1 1 1  -10    0    7 o  1035.59   10.807  3714.43   77.437  3714.43   77.437  3714.43   77.437  1035.59   10.807  1035.59   10.807 0.000000 0.000000 
1 1 1  -10    0    9 o  1309.47   13.069  5938.70  118.415  5938.70  118.415  5938.70  118.415  1309.47   13.069  1309.47   13.069 0.000000 0.000000 
1 1 1  -10    0   11 o  289.116   10.624  290.537   21.193  290.537   21.193  290.537   21.193  289.116   10.624  289.116   10.624 0.000000 0.000000 
1 1 1  -10    0   13 o  1195.69   12.291  4954.14  101.688  4954.14  101.688  4954.14  101.688  1195.69   12.291  1195.69   12.291 0.000000 0.000000 
1 1 1  -10    0   14 o  187.576   12.248  123.495   15.745  123.495   15.745  123.495   15.745  187.576   12.248  187.576   12.248 0.000000 0.000000 
1 1 1  -10    0   15 o  275.022   9.9622  263.241   18.906  263.241   18.906  263.241   18.906  275.022   9.9622  275.022   9.9622 0.000000 0.000000 
1 1 1  -10    0   16 o  446.273   8.3484  691.423   25.765  691.423   25.765  691.423   25.765  446.273   8.3484  446.273   8.3484 0.000000 0.000000 
1 1 1  -10    0   17 o  295.484   11.199  305.317   22.829  305.317   22.829  305.317   22.829  295.484   11.199  295.484   11.199 0.000000 0.000000 
1 1 1  -10    0   18 o   63.825   29.582   21.732   14.451   21.732   14.451   21.732   14.451   63.825   29.582   63.825   29.582 0.000000 0.000000 
1 1 1  -10    0   19 o  264.737   12.205  248.293   22.255  248.293   22.255  248.293   22.255  264.737   12.205  264.737   12.205 0.000000 0.000000 
1 1 1  -10    0   20 o   39.622   25.886   1.6527   17.444   1.6527   17.444   1.6527   17.444   39.622   25.886   39.622   25.886 0.000000 0.000000 
1 1 1  -10    0   21 o   31.244   21.968 -14.0585   18.431 -14.0585   18.431 -14.0585   18.431   31.244   21.968   31.244   21.968 0.000000 0.000000 
1 1 1  -10    2    1 o  1344.52   13.214  6258.13  122.961  6292.68  174.933  6224.39  172.871  1347.97   18.751  1340.64   18.631 7.328247 26.43279 
1 1 1  -10    2    2 o  2060.12   19.605 14699.99  279.532 14687.80  395.102 14712.20  395.535  2058.36   27.734  2060.06   27.741 -1.707520 39.22689 
1 1 1  -10    2    3 o  1418.62   9.8145  6966.13   96.364  6987.81  136.724  6944.74  135.839  1420.65   13.905  1416.27   13.858 4.382690 19.63168 
1 1 1  -10    2    4 o  522.994   4.9313  946.621   17.850  930.496   24.928  963.590   25.572  518.499   6.9464  527.639   7.0024 -9.139343 9.863400 
1 1 1  -10    2    5 o  600.218   5.3074  1246.90   22.048  1243.56   31.085  1250.27   31.278  599.369   7.4934  600.985   7.5196 -1.615173 10.61576 
1 1 1  -10    2    6 o  750.414   6.0633  1949.32   31.491  1943.89   44.474  1954.80   44.596  749.250   8.5764  751.349   8.5759 -2.099670 12.12850 
1 1 1  -10    2    7 o  827.867   9.2215  2373.57   52.837   0.0000   0.0000  2373.57   52.837  ?   ?   827.867   9.2215 0.000000 9.221494 
1 1 1  -10    2    8 o  532.752   10.534  982.927   38.841  982.927   38.841   0.0000   0.0000  532.752   10.534  ?   ?  0.000000 10.53383 
1 1 1  -10    2   10 o  1304.99   18.397  5902.44  166.166   0.0000   0.0000  5902.44  166.166  ?   ?   1304.99   18.397 0.000000 18.39750 
1 1 1  -10    2   11 o  224.136   12.171  174.488   18.810  174.488   18.810   0.0000   0.0000  224.136   12.171  ?   ?  0.000000 12.17106 
1 1 1  -10    2   13 o  888.108   7.0162  2730.62   43.126  2777.10   61.805  2686.52   60.205  895.442   9.9727  880.724   9.8769 14.71796 14.03592 
1 1 1  -10    2   15 o  271.328   11.881  255.415   22.311   0.0000   0.0000  255.415   22.311  ?   ?   271.328   11.881 0.000000 11.88105 
1 1 1  -10    2   16 o  289.629   6.1126  290.592   12.253  298.859   14.614  271.024   22.484  293.662   7.1902  279.328   11.630 14.33392 13.67304 
1 1 1  -10    2   17 o  179.513   8.4421  111.826   10.489  107.411   12.805  120.829   18.285  175.478   10.593  185.574   14.348 -10.09572 17.83437 
1 1 1  -10    2   18 o   40.006   17.331  -1.1032   8.8510  -0.7115   10.621  -1.9937   16.013   44.364   19.102   53.458   23.234 -9.093304 30.07826 
1 1 1  -10    2   19 o  124.650   10.954   54.624   9.3546   60.020   10.943   39.976   18.030  130.459   12.263  103.220   25.408 27.23901 28.21306 
1 1 1  -10    2   20 o  120.762   13.396   51.884   11.008   51.884   11.008   0.0000   0.0000  120.762   13.396  ?   ?  0.000000 13.39585 
1 1 1  -10    2   21 o  115.681   20.199   49.759   15.584   28.824   25.528   62.195   19.675   89.696   32.254  128.477   22.969 -38.78183 39.59729 
1 1 1  -10    4    1 o  1215.47   12.096  5114.20  101.757  5234.15  147.362  5004.88  140.681  1229.44   17.318  1202.23   16.907 27.20911 24.20275 
1 1 1  -10    4    2 o  813.331   7.2044  2289.47   40.555  2337.07   71.819  2267.18   49.139  821.639   12.629  809.338   8.7724 12.30054 15.37708 
1 1 1  -10    4    3 o  771.509   6.0245  2060.02   32.169  2039.09   45.112  2081.68   45.886  767.541   8.4920  775.515   8.5490 -7.973572 12.04988 
1 1 1  -10    4    4 o  1596.76   10.943  8826.93  120.940  8723.72  168.853  8935.66  173.304  1587.07   15.372  1606.21   15.589 -19.14417 21.89370 
1 1 1  -10    4    5 o  201.902   5.6110  141.094   7.8408  136.049   11.154  146.023   11.025  198.240   8.1291  205.382   7.7558 -7.141281 11.23545 
1 1 1  -10    4    6 o  1116.35   8.0808  4315.16   62.436  4399.91   90.179  4237.14   86.529  1126.93   11.562  1105.92   11.305 21.01379 16.17030 
1 1 1  -10    4    7 o  107.051   10.038   40.042   7.3506   80.049   14.576   26.397   8.5122  151.307   14.080   86.040   14.830 65.26760 20.44946 
1 1 1  -10    4    8 o  234.950   6.5834  191.082   10.705  202.439   19.192  185.952   12.899  241.761   11.470  231.758   8.0414 10.00285 14.00770 
1 1 1  -10    4   10 o  976.304   8.4279  3299.57   56.948  3263.27   69.079  3376.58  100.614  970.842   10.281  987.304   14.724 -16.46259 17.95800 
1 1 1  -10    4   12 o  421.698   5.8649  615.527   17.117  602.793   20.659  643.415   30.573  417.290   7.1531  431.045   10.248 -13.75513 12.49762 
1 1 1  -10    4   13 o  759.672   6.3082  1997.79   33.167  2010.58   38.568  1961.46   64.990  762.055   7.3124  752.357   12.481 9.698120 14.46527 
1 1 1  -10    4   14 o  853.475   7.7535  2522.54   45.800  2554.43   56.584  2461.95   77.991  858.698   9.5209  842.570   13.374 16.12744 16.41685 
1 1 1  -10    4   15 f  277.588   6.1968  266.844   11.905  271.683   14.077  254.683   22.313  280.057   7.2622  270.932   11.899 9.125336 13.94041 
1 1 1  -10    4   16 o  257.427   7.7041  229.710   13.726  224.945   17.913  236.488   21.364  254.585   10.166  260.901   11.831 -6.315826 15.59888 
1 1 1  -10    4   17 o  264.440   6.3365  242.374   11.597  235.685   13.708  259.220   21.753  260.675   7.5977  272.979   11.514 -12.30429 13.79472 
1 1 1  -10    4   18 o  117.170   11.532   48.296   9.2310   36.618   10.800   79.951   17.782  101.000   15.982  149.826   17.476 -48.82652 23.68241 
1 1 1  -10    4   19 o  122.297   11.443   52.677   9.5732   58.103   11.410   39.771   17.595  128.177   13.043  103.015   24.944 25.16122 28.14871 
1 1 1  -10    4   20 o   65.268   18.953   15.563   9.0676   18.279   10.658   8.4439   17.254   70.548   20.565   63.907   25.625 6.641258 32.85680 
1 1 1  -10    4   21 o  213.565   8.8675  159.329   13.107  156.874   16.103  164.146   22.562  211.089   11.061  214.292   15.313 -3.202423 18.88987 
1 1 1  -10    6    1 o  1394.79   13.659  6735.21  131.853  6668.29  184.616  6804.88  188.377  1387.55   19.224  1401.68   19.418 -14.12634 27.32431 
1 1 1  -10    6    2 o  1806.19   14.140 11295.09  176.766 11560.98  314.323 11172.10  213.774  1826.37   24.866  1796.11   17.197 30.25781 30.23332 
1 1 1  -10    6    3 o  613.224   5.2585  1301.43   22.318  1250.87   30.684  1358.23   32.522  601.172   7.3745  626.437   7.5010 -25.26508 10.51895 
1 1 1  -10    6    4 o  1154.27   8.2346  4611.89   65.785  4665.62   94.119  4560.57   91.986  1160.82   11.715  1147.68   11.580 13.13550 16.47255 
1 1 1  -10    6    5 o  625.846   5.4325  1355.69   23.531  1352.78   33.300  1358.60   33.257  625.114   7.6967  626.460   7.6703 -1.345764 10.86612 
1 1 1  -10    6    6 o  221.113   8.2061  169.294   12.558   0.0000   0.0000  169.294   12.558  ?   ?   221.113   8.2061 0.000000 8.206110 
1 1 1  -10    6    7 f  226.134   6.8008  177.032   10.644  204.439   17.854  161.920   13.257  242.940   10.619  216.238   8.8583 26.70230 13.82839 
1 1 1  -10    6    8 o  156.609   7.5682   84.906   8.2033   98.439   16.774   80.652   9.4046  167.916   14.578  152.360   8.9579 15.55513 17.11057 
1 1 1  -10    6    9 o  219.242   8.3620  166.399   12.689  186.293   18.892  150.049   17.127  231.635   11.823  207.810   11.958 23.82510 16.81627 
1 1 1  -10    6   10 o  1352.59   10.971  6334.53  102.708  6343.29  125.870  6317.07  177.674  1353.34   13.438  1349.98   19.016 3.353516 23.28501 
1 1 1  -10    6   11 o  947.814   8.2434  3109.88   54.076  3128.76   66.547  3073.17   92.785  950.604   10.115  941.882   14.233 8.721802 17.46113 
1 1 1  -10    6   12 o  616.327   6.4308  1314.89   27.432  1309.02   33.292  1327.32   48.411  614.907   7.8227  619.054   11.299 -4.146179 13.74268 
1 1 1  -10    6   13 o  214.455   8.0756  159.246   11.986  159.246   11.986   0.0000   0.0000  214.455   8.0756  ?   ?  0.000000 8.075643 
1 1 1  -10    6   14 o  392.225   5.5488  532.574   15.063  537.425   17.640  519.512   28.944  393.981   6.4691  387.183   10.801 6.797333 12.59021 
1 1 1  -10    6   15 o  119.951   11.571   50.378   9.4868   62.585   11.151   18.395   18.050  133.744   12.180   77.191   27.189 56.55318 29.79279 
1 1 1  -10    6   16 o  382.999   10.603  509.268   28.107   0.0000   0.0000  509.268   28.107  ?   ?   382.999   10.603 0.000000 10.60342 
1 1 1  -10    6   17 o  263.327   6.3216  240.343   11.521  242.166   13.599  235.707   21.688  264.243   7.4356  260.229   12.041 4.013367 14.15220 
1 1 1  -10    6   18 o  426.901   5.6380  631.747   16.658  627.957   19.507  641.951   32.013  425.481   6.6243  429.366   10.772 -3.884796 12.64626 
1 1 1  -10    6   19 o  117.607   14.987   49.371   11.922   49.371   11.922   0.0000   0.0000  117.607   14.987  ?   ?  0.000000 14.98744 
1 1 1  -10    6   20 o  147.015   9.8378   75.791   9.9522   75.426   11.647   76.780   19.157  146.286   11.599  145.249   19.553 1.036407 22.73476 
1 1 1  -10    6   21 o  148.681   9.5657   77.661   9.7912   73.217   11.267   91.366   19.787  143.890   11.407  158.326   18.400 -14.43567 21.64965 
1 1 1  -10    8    1 f  1301.92   12.866  5868.08  115.929  5726.83  159.948  6024.39  168.263  1285.91   17.972  1318.87   18.434 -32.95691 25.74463 
1 1 1  -10    8    2 o  2195.49   17.009 16693.57  258.461 16902.44  453.933 16593.38  314.402  2207.43   29.712  2188.48   20.757 18.94824 36.24420 
1 1 1  -10    8    3 o  1636.83   11.185  9275.36  126.716  9196.91  177.604  9356.70  180.848  1629.57   15.747  1643.66   15.897 -14.08240 22.37626 
1 1 1  -10    8    4 o  1128.27   8.0866  4406.56   63.148  4310.14   87.347  4512.13   91.400  1115.70   11.312  1141.53   11.569 -25.82959 16.17974 
1 1 1  -10    8    5 o  456.927   5.5464  722.662   17.540  700.488   29.220  735.154   21.931  449.771   9.3866  460.832   6.8761 -11.06122 11.63565 
1 1 1  -10    8    6 o  411.161   5.5440  585.188   15.777  610.732   27.396  572.514   19.298  419.925   9.4262  406.653   6.8566 13.27167 11.65614 
1 1 1  -10    8    7 o  548.441   6.0818  1041.20   23.085  1079.02   40.027  1022.35   28.259  558.154   10.362  543.411   7.5136 14.74298 12.79908 
1 1 1  -10    8    8 f  802.882   6.3766  2231.30   35.434  2210.24   69.706  2238.64   41.147  798.797   12.608  804.167   7.3929 -5.370300 14.61587 
1 1 1  -10    8    9 o  477.453   10.048  789.268   33.204   0.0000   0.0000  789.268   33.204  ?   ?   477.453   10.048 0.000000 10.04811 
1 1 1  -10    8   10 o  447.977   5.0706  694.559   15.721  687.304   17.901  719.024   32.873  445.623   5.8041  455.713   10.422 -10.08957 11.92960 
1 1 1  -10    8   11 o  559.981   5.4057  1085.32   20.951  1076.06   24.134  1113.66   42.210  557.571   6.2538  567.115   10.754 -9.543762 12.44014 
1 1 1  -10    8   12 f  430.783   5.9371  642.348   17.701  649.549   21.528  627.317   31.104  433.167   7.1806  425.601   10.559 7.565186 12.76959 
1 1 1  -10    8   13 o  175.767   8.5245  106.982   10.370  118.127   12.577   83.317   18.327  184.411   9.8903  153.965   17.510 30.44542 20.10989 
1 1 1  -10    8   14 o  526.500   5.5522  959.650   20.232  976.275   23.746  915.610   38.649  531.005   6.4612  513.995   10.864 17.00964 12.64034 
1 1 1  -10    8   15 o  569.455   6.6122  1123.16   26.061  1161.23   33.140  1061.46   42.186  578.886   8.2715  553.170   11.019 25.71625 13.77800 
1 1 1  -10    8   16 o  239.651   6.5921  199.006   10.934  206.687   13.036  180.781   20.081  244.174   7.7137  227.654   12.796 16.52017 14.94155 
1 1 1  -10    8   17 o  271.219   7.3499  255.122   13.797  272.063   17.520  227.463   22.386  279.921   9.0430  255.542   12.657 24.37886 15.55584 
1 1 1  -10    8   18 o  139.126   11.781   67.963   11.238   69.948   14.645   65.122   17.526  140.472   15.311  134.509   19.385 5.963547 24.70250 
1 1 1  -10    8   19 o  196.340   7.7633  133.983   10.550  134.847   12.428  131.756   19.956  196.809   9.1239  192.993   15.059 3.816208 17.60745 
1 1 1  -10    8   20 o  204.171   7.7658  145.074   10.974  140.200   12.697  159.463   21.816  200.493   9.1501  211.949   14.968 -11.45612 17.54356 
1 1 1  -10    8   21 o   36.269   16.459  -4.7461   8.9616  -7.0174   10.608   0.9141   16.747   38.231   17.559   55.867   24.019 -17.63634 29.75331 
1 1 1  -10   10    1 o  876.378   6.5858  2658.16   39.946  2578.54   54.941  2747.45   58.182  863.105   9.1973  890.919   9.4357 -27.81403 13.17661 
1 1 1  -10   10    2 o  1292.34   9.0401  5781.09   80.859  5665.31  111.966  5907.29  116.896  1279.18   12.647  1306.20   12.930 -27.01868 18.08687 
1 1 1  -10   10    3 o  106.069   8.0134   39.165   5.8394   39.069   8.2315   39.262   8.2850  105.609   11.445  105.867   11.492 -0.2584763 16.21862 
1 1 1  -10   10    4 o  742.326   6.8196  1907.41   35.037  1874.15   59.435  1925.13   43.376  735.646   11.673  745.717   8.4041 -10.07074 14.38398 
1 1 1  -10   10    5 o  421.330   5.4747  614.465   15.965  599.512   26.676  622.810   19.927  416.079   9.2633  424.154   6.7880 -8.075226 11.48418 
1 1 1  -10   10    6 o  267.086   5.9970  246.943   11.086  237.415   17.808  252.972   14.165  261.808   9.8277  270.300   7.5717 -8.491791 12.40620 
1 1 1  -10   10    7 o  1131.71   8.1659  4434.41   63.962  4356.65   89.016  4517.41   91.967  1121.48   11.468  1141.96   11.636 -20.48718 16.33765 
1 1 1  -10   10    8 o   89.939   13.960   28.687   8.4081   28.727   13.606   28.662   10.695   89.233   22.137   89.340   17.920 -0.1070938 28.48051 
1 1 1  -10   10   10 o  658.330   6.6441  1500.11   30.273  1473.09   36.466  1560.00   54.301  652.344   8.0767  671.201   11.689 -18.85706 14.20788 
1 1 1  -10   10   11 o  124.264   11.313   53.916   9.6233   53.898   11.800   53.951   16.629  123.946   14.001  123.124   20.216 0.8222122 24.59084 
1 1 1  -10   10   12 o  1177.31   9.7970  4799.82   79.829  4799.82   79.829   0.0000   0.0000  1177.31   9.7970  ?   ?  0.000000 9.796988 
1 1 1  -10   10   13 o  379.697   6.0894  499.082   16.003  494.580   19.217  509.268   28.904  377.950   7.3462  383.405   10.892 -5.454590 13.13823 
1 1 1  -10   10   14 o  259.140   6.4206  232.516   11.516  235.923   13.530  223.561   21.935  261.006   7.4899  253.908   12.482 7.097443 14.55695 
1 1 1  -10   10   15 o  504.841   5.5560  882.539   19.413  887.392   22.687  869.268   37.516  506.168   6.4759  500.581   10.829 5.587067 12.61724 
1 1 1  -10   10   16 o  149.833   9.0646   78.168   9.3558   86.002   11.017   57.902   17.719  157.068   10.189  126.904   20.902 30.16404 23.25335 
1 1 1  -10   10   17 o  260.228   7.5490  234.908   13.596  233.374   17.199  237.463   22.200  259.186   9.5879  261.124   12.284 -1.937653 15.58267 
1 1 1  -10   10   18 o  294.100   6.9882  300.142   14.224  300.142   14.224   0.0000   0.0000  294.100   6.9882  ?   ?  0.000000 6.988167 
1 1 1  -10   10   19 o  140.883   9.5725   69.462   9.2784   65.131   10.741   82.195   18.415  136.052   11.515  151.350   17.929 -15.29826 21.30824 
1 1 1  -10   10   20 o   85.840   21.662   27.641   12.870   12.459   17.479   45.620   19.020   68.116   26.245  109.428   25.573 -41.31259 36.64373 
1 1 1  -10   10   21 o   57.957   19.375   11.667   9.1320   2.4367   10.636   37.551   17.812   47.115   19.640   98.283   25.842 -51.16831 32.45825 
1 1 1  -10   12    1 o  2043.40   13.760 14458.18  194.600 14144.89  268.498 14804.86  282.443  2020.56   19.200  2067.09   19.742 -46.53040 27.53864 
1 1 1  -10   12    2 o  137.367   6.4259   65.309   6.1093   56.711   8.5701   74.193   8.7114  127.619   9.7771  146.147   8.6508 -18.52831 13.05481 
1 1 1  -10   12    3 o  1970.25   13.307 13444.65  181.462 13000.00  349.109 13609.26  212.411  1935.12   26.066  1981.98   15.485 -46.86108 30.31851 
1 1 1  -10   12    4 o  1117.54   8.0242  4323.69   62.064  4172.19  119.274  4379.95   72.679  1097.12   15.708  1124.70   9.3367 -27.57483 18.27310 
1 1 1  -10   12    5 o  952.307   14.091  3143.90   92.871  3143.90   92.871   0.0000   0.0000  952.307   14.091  ?   ?  0.000000 14.09052 
1 1 1  -10   12    7 o  363.297   4.8658  456.817   12.235  445.680   17.079  468.557   17.536  358.813   6.8772  367.906   6.8866 -9.093475 9.732456 
1 1 1  -10   12    8 o  732.226   6.0038  1855.77   30.426  1861.08   43.024  1850.45   43.035  733.202   8.4783  731.104   8.5048 2.098877 12.00887 
1 1 1  -10   12   10 o  749.331   7.1131  1943.56   36.890  1917.38   44.572  2000.49   65.730  744.225   8.6532  760.041   12.495 -15.81519 15.19908 
1 1 1  -10   12   11 o  658.784   8.1666  1502.45   37.236  1502.45   37.236   0.0000   0.0000  658.784   8.1666  ?   ?  0.000000 8.166618 
1 1 1  -10   12   12 o  480.028   6.0126  797.624   19.976  802.930   24.221  786.341   35.321  481.592   7.2668  476.481   10.711 5.111328 12.94307 
1 1 1  -10   12   13 o  298.146   5.8172  307.716   12.004  317.552   14.019  280.683   23.240  302.857   6.6879  284.602   11.799 18.25574 13.56224 
1 1 1  -10   12   14 o  621.090   7.9792  1336.11   34.300  1404.39   49.726  1274.15   47.373  636.477   11.288  606.245   11.290 30.23169 15.96554 
1 1 1  -10   12   15 f   93.202   14.262   30.883   8.9074   20.795   10.426   58.146   17.139   75.797   19.695  127.555   20.078 -51.75827 28.12487 
1 1 1  -10   12   16 o  337.985   5.7318  395.728   13.408  394.719   15.530  398.683   26.573  337.492   6.6486  338.727   11.335 -1.234955 13.14089 
1 1 1  -10   12   17 o  197.469   9.8122  135.509   13.410  145.219   18.336  124.341   19.664  203.682   13.076  188.004   15.243 15.67796 20.08350 
1 1 1  -10   12   18 o  133.157   11.572   62.290   10.558   62.255   13.683   62.341   16.599  132.409   15.207  131.650   18.747 0.7590942 24.13950 
1 1 1  -10   12   19 o   34.966   15.859  -4.6325   8.3055  -5.4448   9.6947  -2.3917   16.102   37.683   17.108   52.953   23.151 -15.26974 28.78635 
1 1 1  -10   12   20 o   72.997   18.484   19.777   9.3481   21.219   10.882   15.717   18.260   75.487   20.361   72.287   27.060 3.199684 33.86465 
1 1 1  -10   12   21 o   39.070   17.173  -1.7875   8.9650   2.5418   10.340 -14.8927   17.991   46.651   19.398   47.353   22.132 -0.7023468 29.43000 
1 1 1  -10   14    1 o  1161.94   8.2608  4673.37   66.432  4615.15   92.794  4734.59   95.150  1154.52   11.613  1169.36   11.757 -14.83655 16.52508 
1 1 1  -10   14    2 o  1090.21   7.8468  4114.28   59.208  3814.63  109.320  4238.66   70.433  1049.36   15.052  1106.51   9.1970 -57.15344 17.63953 
1 1 1  -10   14    3 o  317.744   4.5706  349.427   10.051  299.366   18.464  370.511   11.983  294.049   9.0724  327.183   5.2916 -33.13388 10.50282 
1 1 1  -10   14    4 o  163.545   7.0953   92.597   8.0313   80.146   12.640  101.028   10.401  151.608   12.148  170.580   8.8400 -18.97208 15.02392 
1 1 1  -10   14    5 o  469.803   4.8137  763.964   15.652  761.782   21.932  766.229   22.344  469.082   6.7554  470.446   6.8625 -1.363953 9.629577 
1 1 1  -10   14    6 o  804.832   8.8877  2243.03   49.508  2243.03   49.508   0.0000   0.0000  804.832   8.8877  ?   ?  0.000000 8.887688 
1 1 1  -10   14    7 o  403.033   9.5442  562.439   26.623  562.439   26.623   0.0000   0.0000  403.033   9.5442  ?   ?  0.000000 9.544163 
1 1 1  -10   14    8 o  376.921   4.9844  491.704   13.003  513.045   18.483  470.795   18.296  384.991   6.9368  368.795   7.1678 16.19614 9.974763 
1 1 1  -10   14    9 o  551.340   5.3439  1052.06   20.392  1070.55   28.708  1033.24   28.970  556.127   7.4585  546.348   7.6613 9.778992 10.69227 
1 1 1  -10   14   10 o  875.835   6.8127  2655.15   41.297  2652.60   57.994  2657.77   58.821  875.321   9.5728  876.167   9.6999 -0.8466187 13.62819 
1 1 1  -10   14   12 o  1354.34   11.027  6353.56  103.362  6371.98  126.792  6317.07  178.465  1355.97   13.510  1349.14   19.113 6.829590 23.40552 
1 1 1  -10   14   13 o  198.300   7.4964  136.159   10.289  138.192   12.092  130.829   19.582  199.753   8.7464  193.663   14.720 6.090851 17.12236 
1 1 1  -10   14   14 o  416.950   6.0295  601.942   17.400  624.902   21.515  558.537   29.582  424.772   7.3182  401.402   10.648 23.37067 12.92047 
1 1 1  -10   14   15 o  296.069   5.8839  303.589   12.057  308.949   14.121  289.171   23.159  298.628   6.8323  288.614   11.594 10.01465 13.45742 
1 1 1  -10   14   16 o   84.603   15.593   25.748   8.7940   31.585   10.328   10.351   16.772   93.761   16.518   66.455   25.680 27.30624 30.53336 
1 1 1  -10   14   17 o  233.306   6.5640  188.733   10.599  202.661   12.432  151.658   20.282  241.695   7.4317  207.925   14.179 33.76962 16.00825 
1 1 1  -10   14   18 o   60.229   18.775   12.759   8.6721   24.514   10.223 -17.4146   16.379   81.760   18.497   43.981   20.731 37.77960 27.78389 
1 1 1  -10   14   19 o   91.899   17.142   30.801   10.502   31.013   13.631   30.493   16.474   91.222   21.873   90.263   25.335 0.9595184 33.47066 
1 1 1  -10   14   20 o  161.684   9.0564   91.495   10.094   94.558   11.709   82.634   19.915  164.095   10.363  150.526   19.579 13.56914 22.15258 
1 1 1  -10   14   21 o   67.836   19.931   17.146   9.9761   21.859   11.863   5.7610   18.437   75.992   21.558   62.034   25.858 13.95799 33.66568 
1 1 1  -10   16    1 o  1075.21   7.7627  4001.96   57.767  3804.88  109.380  4078.19   68.028  1047.93   15.081  1085.34   9.0562 -37.40906 17.59123 
1 1 1  -10   16    2 o  707.195   5.7480  1731.07   28.134  1576.10   51.631  1796.52   33.553  674.610   11.058  720.412   6.7294 -45.80206 12.94474 
1 1 1  -10   16    3 o  1020.83   8.6369  3608.29   61.022   0.0000   0.0000  3608.29   61.022  ?   ?   1020.83   8.6369 0.000000 8.636853 
1 1 1  -10   16    5 o  641.108   7.7070  1423.12   34.197  1423.12   34.197   0.0000   0.0000  641.108   7.7070  ?   ?  0.000000 7.706950 
1 1 1  -10   16    7 o  923.508   6.9555  2952.23   44.457  2900.71   61.796  3007.49   64.007  915.291   9.7550  931.976   9.9230 -16.68530 13.91494 
1 1 1  -10   16   10 o  450.834   6.0817  703.496   18.977  685.352   22.459  748.781   35.481  444.964   7.2926  465.019   11.024 -20.05487 13.21789 
1 1 1  -10   16   11 o  373.069   10.680  482.000   27.576   0.0000   0.0000  482.000   27.576  ?   ?   373.069   10.680 0.000000 10.67989 
1 1 1  -10   16   13 o  917.855   14.221  2921.95   90.342   0.0000   0.0000  2921.95   90.342  ?   ?   917.855   14.221 0.000000 14.22124 
1 1 1  -10   16   14 o  439.818   6.0395  669.816   18.384  721.131   23.091  580.976   30.383  456.290   7.3119  409.346   10.724 46.94330 12.97969 
1 1 1  -10   16   15 o  250.210   6.8040  216.903   11.783  216.064   14.173  218.781   21.200  249.659   8.2026  250.964   12.205 -1.305130 14.70557 
1 1 1  -10   16   16 o  432.814   10.374  650.732   31.076  650.732   31.076   0.0000   0.0000  432.814   10.374  ?   ?  0.000000 10.37390 
1 1 1  -10   16   17 o  256.793   6.1848  228.614   10.992  235.623   12.974  210.781   20.695  260.616   7.1925  245.935   12.158 14.68155 14.12625 
1 1 1  -10   16   18 o  201.152   8.6365  140.675   12.024  155.397   15.664  119.561   18.759  210.876   10.769  184.036   14.854 26.83960 18.34694 
1 1 1  -10   16   19 o  111.264   14.404   44.248   10.832   41.228   13.659   49.366   17.781  106.038   19.323  115.115   23.121 -9.077621 30.13199 
1 1 1  -10   16   20 o   59.340   18.813   12.517   8.6708   16.448   10.182   2.1488   16.539   67.082   20.241   56.906   24.150 10.17518 31.51043 
1 1 1  -10   16   21 o   65.242   18.900   15.852   9.0270   12.615   10.447   25.390   17.934   60.444   20.720   82.072   27.140 -21.62781 34.14526 
1 1 1  -10   18    1 o  130.822   8.0737   59.479   7.2745   50.341   11.511   65.556   9.3866  119.690   14.170  137.227   9.9507 -17.53611 17.31506 
1 1 1  -10   18    2 o  576.208   5.9166  1149.29   23.596  1060.98   38.455  1202.61   29.882  553.478   10.039  589.379   7.3255 -35.90045 12.42730 
1 1 1  -10   18    3 o  607.669   6.0898  1278.29   25.612  1230.04   30.371  1397.07   47.657  596.046   7.3621  635.045   10.843 -38.99915 13.10604 
1 1 1  -10   18    4 o  894.169   6.7453  2768.01   41.744  2709.22   57.762  2832.29   60.396  884.445   9.4362  904.294   9.6499 -19.84930 13.49672 
1 1 1  -10   18    5 o  1166.92   8.3388  4714.85   67.348  4619.46   93.284  4818.70   97.333  1154.76   11.672  1179.37   11.924 -24.61218 16.68592 
1 1 1  -10   18    6 o  863.142   13.135  2580.98   78.470  2580.98   78.470   0.0000   0.0000  863.142   13.135  ?   ?  0.000000 13.13548 
1 1 1  -10   18    7 o  692.032   5.7794  1657.58   27.681  1625.14   38.434  1692.55   39.902  685.168   8.1048  699.229   8.2452 -14.06140 11.56161 
1 1 1  -10   18   11 o  401.512   6.2143  558.036   17.269  577.540   21.434  521.951   29.154  408.442   7.5821  388.207   10.851 20.23529 13.23726 
1 1 1  -10   18   12 o  265.218   13.780  244.488   25.207  244.488   25.207   0.0000   0.0000  265.218   13.780  ?   ?  0.000000 13.77978 
1 1 1  -10   18   13 o  107.332   14.868   40.730   10.748   42.476   13.199   37.293   18.517  109.138   18.108  101.494   26.187 7.644218 31.83797 
1 1 1  -10   18   14 o  246.781   6.5813  210.919   11.241  211.422   13.095  209.512   21.911  247.040   7.6590  245.338   12.950 1.702118 15.04538 
1 1 1  -10   18   15 o  190.032   8.0451  125.190   10.581  138.466   12.886   97.707   18.540  199.794   9.3186  166.651   16.282 33.14282 18.76037 
1 1 1  -10   18   16 o  379.719   5.4676  499.527   14.369  509.138   16.908  474.537   27.265  383.277   6.3739  369.518   10.661 13.75876 12.42092 
1 1 1  -10   18   17 o   85.611   14.636   26.332   8.3605   27.604   9.8822   23.132   15.681   87.244   16.977   80.664   25.264 6.580147 30.43836 
1 1 1  -10   18   18 o  146.702   11.067   75.489   11.154   68.118   14.234   87.220   17.956  138.488   15.095  156.458   16.848 -17.96954 22.62081 
1 1 1  -10   18   19 o  158.656   8.8430   87.952   9.6717   80.994   11.037  110.976   20.076  151.914   10.563  176.292   16.651 -24.37822 19.71902 
1 1 1  -10   18   20 o  112.512   12.029   44.979   9.2222   44.571   10.755   46.112   17.925  111.410   14.276  110.070   24.190 1.340141 28.08816 
1 1 1  -10   20    1 o  475.065   5.5938  781.223   18.392  730.732   30.067  811.413   23.249  459.336   9.4577  484.121   6.9388 -24.78403 11.73006 
1 1 1  -10   20    2 o  488.874   4.8821  827.250   16.519  814.666   23.174  840.249   23.553  485.088   6.9025  492.645   6.9078 -7.557678 9.765310 
1 1 1  -10   20    4 o  676.563   6.5122  1584.58   30.494  1525.37   50.662  1618.22   38.186  663.588   11.031  683.644   8.0705 -20.05585 13.66786 
1 1 1  -10   20    5 o  436.981   4.8508  660.909   14.671  630.188   20.169  695.426   21.379  426.672   6.8299  448.211   6.8917 -21.53976 9.702759 
1 1 1  -10   20    6 o  947.027   7.0837  3104.53   46.430  3013.71   63.766  3207.01   67.738  932.948   9.8754  962.385   10.170 -29.43774 14.17554 
1 1 1  -10   20    7 o  1359.09   9.5278  6394.90   89.623  6213.76  122.795  6601.39  131.104  1339.43   13.246  1380.53   13.721 -41.10352 19.07164 
1 1 1  -10   20    9 o  444.596   10.443  684.390   32.134   0.0000   0.0000  684.390   32.134  ?   ?   444.596   10.443 0.000000 10.44292 
1 1 1  -10   20   11 o  879.369   6.8971  2676.98   41.977  2702.51   59.466  2651.62   59.265  883.396   9.7260  875.035   9.7857 8.360718 13.79694 
1 1 1  -10   20   12 o  198.631   8.8344  136.637   12.145  131.934   15.081  145.317   20.486  194.814   11.233  204.192   14.592 -9.378052 18.41479 
1 1 1  -10   20   13 o  233.309   6.7121  188.484   10.839  198.955   12.417  154.976   22.212  239.685   7.4852  210.736   15.334 28.94867 17.06367 
1 1 1  -10   20   14 o  203.670   7.4487  143.712   10.500  141.088   12.138  151.512   20.927  201.761   8.6924  208.284   14.610 -6.522751 16.99993 
1 1 1  -10   20   15 o  207.075   13.929  149.902   19.846  149.902   19.846   0.0000   0.0000  207.075   13.929  ?   ?  0.000000 13.92861 
1 1 1  -10   20   16 o  251.434   6.6405  219.160   11.556  234.138   13.936  186.195   20.675  259.801   7.7503  230.821   12.994 28.98016 15.13019 
1 1 1  -10   20   17 o  360.936   5.4907  451.542   13.716  450.649   15.974  454.049   26.761  360.476   6.4026  361.133   10.707 -0.6573181 12.47520 
1 1 1  -10   20   18 o   58.200   18.586   11.791   8.4506   10.214   9.8357   16.239   16.516   56.909   20.068   71.991   25.938 -15.08182 32.79462 
1 1 1  -10   20   19 o  175.193   8.2777  106.858   10.037  110.703   11.536   94.878   20.361  177.920   9.4016  162.202   18.466 15.71835 20.72179 
1 1 1  -10   20   20 o   44.532   19.199  -0.3137   10.757   5.5022   13.717  -9.6049   17.338   55.689   22.662   49.493   22.627 6.195637 32.02417 
1 1 1  -10   22    1 o  414.850   5.4273  595.725   15.583  522.927   25.473  639.261   19.699  388.570   9.4719  429.713   6.6235 -41.14313 11.55806 
1 1 1  -10   22    2 o  416.634   6.5819  600.925   18.979  600.925   18.979   0.0000   0.0000  416.634   6.5819  ?   ?  0.000000 6.581903 
1 1 1  -10   22    5 o  558.099   5.9540  1078.10   22.998  971.219   36.843  1146.34   29.438  529.610   10.051  575.457   7.3913 -45.84668 12.47630 
1 1 1  -10   22    7 o  615.028   5.4821  1309.17   23.336  1294.96   32.372  1324.55   33.669  611.641   7.6472  618.584   7.8641 -6.943726 10.96922 
1 1 1  -10   22    8 o  403.177   5.0938  562.586   14.214  554.190   19.424  572.266   20.856  400.136   7.0137  406.604   7.4110 -6.468079 10.20367 
1 1 1  -10   22    9 o  652.409   8.2214  1473.46   37.123   0.0000   0.0000  1473.46   37.123  ?   ?   652.409   8.2214 0.000000 8.221442 
1 1 1  -10   22   10 o  1299.32   9.2253  5845.48   82.961  5878.14  117.789  5813.33  116.867  1302.59   13.065  1295.39   13.035 7.196899 18.45582 
1 1 1  -10   22   11 o  984.550   14.791  3360.49  100.791  3360.49  100.791   0.0000   0.0000  984.550   14.791  ?   ?  0.000000 14.79128 
1 1 1  -10   22   12 o  909.614   8.1577  2865.29   51.358  2956.78   64.687  2709.27   84.471  923.848   10.117  883.921   13.808 39.92694 17.11712 
1 1 1  -10   22   13 o  793.426   9.4262  2181.44   51.763   0.0000   0.0000  2181.44   51.763  ?   ?   793.426   9.4262 0.000000 9.426199 
1 1 1  -10   22   14 o  350.104   5.5418  424.469   13.429  444.962   15.710  368.878   25.875  358.418   6.3329  326.000   11.468 32.41733 13.10024 
1 1 1  -10   22   15 o  274.576   5.9846  261.199   11.373  261.582   13.282  260.146   22.020  274.721   6.9853  273.588   11.629 1.132172 13.56576 
1 1 1  -10   22   16 o  209.415   7.3995  152.117   10.725  153.800   12.820  148.195   19.574  210.468   8.8012  205.645   13.833 4.822998 16.39533 
1 1 1  -10   22   17 o  244.540   7.6005  207.611   12.864  210.161   16.108  203.122   21.373  245.819   9.4678  240.824   12.870 4.994476 15.97710 
1 1 1  -10   22   18 o   97.868   13.381   34.172   8.8260   34.027   10.059   34.659   18.399   97.182   15.474   96.104   26.703 1.078049 30.86263 
1 1 1  -10   22   19 o  141.143   9.5721   69.837   9.2954   63.263   10.571   92.244   19.517  133.909   11.518  159.988   17.934 -26.07855 21.31477 
1 1 1  -10   22   20 o  130.059   12.211   60.085   10.863   60.085   10.863   0.0000   0.0000  130.059   12.211  ?   ?  0.000000 12.21093 
1 1 1  -10   24    2 o  598.018   5.2807  1237.83   21.857  1237.44   30.970  1238.23   30.850  597.861   7.4846  598.054   7.4531 -0.1925049 10.56252 
1 1 1  -10   24    3 o  1253.73   8.8515  5442.31   76.807  5348.67  106.633  5543.27  110.725  1242.59   12.399  1264.97   12.647 -22.37744 17.71103 
1 1 1  -10   24    4 o  543.726   5.8822  1023.28   22.136  936.097   36.009  1076.24   28.065  519.948   10.006  557.589   7.2723 -37.64093 12.36994 
1 1 1  -10   24    5 o  1234.33   12.398  5276.66  105.920   0.0000   0.0000  5276.66  105.920  ?   ?   1234.33   12.398 0.000000 12.39849 
1 1 1  -10   24    6 o  1199.20   8.5611  4978.25   71.056  4900.72   98.755  5061.48  102.315  1189.63   11.994  1208.96   12.228 -19.33752 17.12836 
1 1 1  -10   24    7 o  308.551   6.9432  329.530   14.827  329.530   14.827   0.0000   0.0000  308.551   6.9432  ?   ?  0.000000 6.943168 
1 1 1  -10   24    8 o  902.826   7.9498  2821.53   49.675  2744.14   59.215  3005.37   91.262  890.296   9.6099  931.471   14.156 -41.17468 17.10988 
1 1 1  -10   24    9 o  597.202   7.7581  1234.64   32.066  1234.64   32.066   0.0000   0.0000  597.202   7.7581  ?   ?  0.000000 7.758055 
1 1 1  -10   24   11 o  763.796   6.3466  2019.57   33.550  2085.24   48.251  1958.10   46.682  775.974   8.9843  751.946   8.9699 24.02747 12.69551 
1 1 1  -10   24   12 o  147.140   10.258   75.379   10.381   70.462   13.691   82.027   15.921  141.827   14.136  152.997   15.238 -11.17038 20.78537 
1 1 1  -10   24   13 o  613.707   11.453  1306.34   48.646   0.0000   0.0000  1306.34   48.646  ?   ?   613.707   11.453 0.000000 11.45271 
1 1 1  -10   24   14 o  121.514   12.853   51.880   10.645   51.880   10.645   0.0000   0.0000  121.514   12.853  ?   ?  0.000000 12.85295 
1 1 1  -10   24   15 o  349.586   5.5476  423.369   13.423  429.154   15.662  407.366   26.050  351.901   6.4305  342.379   10.993 9.521820 12.73579 
1 1 1  -10   24   16 o  376.889   6.3493  492.469   16.562  515.772   20.763  451.707   27.461  385.524   7.7816  360.286   11.013 25.23819 13.48447 
1 1 1  -10   24   17 o   39.915   17.186  -0.6038   8.5973   0.8746   10.083  -4.5400   16.453   44.868   18.939   52.162   23.080 -7.293922 29.85596 
1 1 1  -10   24   18 o   91.447   14.573   30.102   8.9136   22.282   10.058   58.732   19.244   77.679   18.890  126.023   22.907 -48.34424 29.69110 
1 1 1  -10   24   19 o   42.443   17.500   2.1921   8.3156   3.1371   9.3390  -1.4249   18.271   45.742   18.666   56.804   24.753 -11.06175 31.00187 
1 1 1  -10   24   20 o   70.053   18.747   18.366   9.2684   17.740   10.634   20.341   18.903   69.111   20.647   76.998   27.748 -7.886627 34.58735 
1 1 1  -10   26    2 o  1089.80   11.173  4113.08   84.274  4035.12  116.699  4198.05  121.829  1079.03   15.626  1100.56   15.994 -21.52966 22.36058 
1 1 1  -10   26    3 o  198.440   5.7043  136.297   7.8345  133.079   10.978  139.636   11.184  196.065   8.0903  200.837   8.0456 -4.772171 11.40985 
1 1 1  -10   26    4 f  1108.12   8.0039  4250.76   61.386  4145.29   84.602  4368.01   89.206  1094.12   11.172  1123.11   11.476 -28.98767 16.01620 
1 1 1  -10   26    5 o  1090.65   7.9138  4117.63   59.738  3992.00   81.877  4260.62   87.352  1073.74   11.018  1109.25   11.378 -35.51660 15.83818 
1 1 1  -10   26    6 o  1058.96   10.918  3882.74   80.022  3882.74   80.022   0.0000   0.0000  1058.96   10.918  ?   ?  0.000000 10.91823 
1 1 1  -10   26    7 o  1158.55   9.6026  4646.88   76.998  4585.56   93.057  4780.00  137.112  1150.77   11.684  1174.52   16.867 -23.74854 20.51852 
1 1 1  -10   26    8 o  1404.93   9.8315  6833.95   95.599  6748.85  133.217  6924.29  137.268  1395.81   13.790  1413.81   14.028 -18.00171 19.67089 
1 1 1  -10   26   10 o  383.270   10.438  508.780   27.689  508.780   27.689   0.0000   0.0000  383.270   10.438  ?   ?  0.000000 10.43804 
1 1 1  -10   26   11 o  1018.08   7.6324  3588.93   53.780  3672.00   77.366  3511.24   74.812  1029.49   10.858  1006.72   10.737 22.77472 15.27022 
1 1 1  -10   26   12 o  203.338   7.7140  143.197   10.856  151.250   14.660  133.418   16.155  208.917   10.139  195.797   11.979 13.12029 15.69335 
1 1 1  -10   26   13 o  190.211   11.354  125.971   14.879  125.971   14.879   0.0000   0.0000  190.211   11.354  ?   ?  0.000000 11.35415 
1 1 1  -10   26   14 o  349.852   6.5672  424.078   15.902  430.508   19.950  412.878   26.331  352.375   8.1803  344.816   11.033 7.558563 13.73506 
1 1 1  -10   26   15 o  191.371   7.1213  126.980   9.4322  133.307   10.977  109.122   18.440  196.027   8.0907  176.153   15.277 19.87395 17.28675 
1 1 1  -10   26   16 o  165.222   8.0231   94.769   9.1746  101.998   10.612   73.366   18.258  171.106   8.9922  143.176   18.886 27.92953 20.91732 
1 1 1  -10   26   17 o  176.715   7.8505  108.492   9.6016  108.040   11.034  109.902   19.485  175.998   9.0896  176.043   16.173 -0.4449463E-01 18.55241 
1 1 1  -10   26   18 o   84.945   15.569   26.218   8.8162   18.920   9.8485   55.659   19.780   71.645   19.389  122.021   24.276 -50.37635 31.06849 
1 1 1  -10   26   19 o   88.440   16.665   28.684   9.8268   28.684   9.8268   0.0000   0.0000   88.440   16.665  ?   ?  0.000000 16.66545 
1 1 1  -10   26   20 o   56.349   19.070   10.937   8.8485   9.7363   9.9611   15.429   19.267   55.561   20.125   71.840   27.587 -16.27900 34.14729 
1 1 1  -10   28    1 o  592.045   5.3127  1213.17   21.769  1186.88   30.182  1241.68   31.429  585.551   7.4474  598.912   7.5821 -13.36176 10.62788 
1 1 1  -10   28    2 o  376.653   5.6107  491.022   14.626  472.114   17.319  538.049   27.313  369.316   6.7756  394.206   10.011 -24.88992 12.08823 
1 1 1  -10   28    3 o  1102.44   11.283  4208.50   86.090  4230.73  121.864  4186.34  121.634  1105.00   15.934  1099.18   15.989 5.817139 22.57303 
1 1 1  -10   28    4 o  1429.19   9.9489  7071.75   98.410  6853.91  134.505  7322.70  144.364  1406.71   13.815  1453.97   14.346 -47.26135 19.91641 
1 1 1  -10   28    5 o  908.175   6.8964  2854.81   43.348  2806.43   60.194  2906.93   62.477  900.356   9.6596  916.327   9.8513 -15.97125 13.79701 
1 1 1  -10   28    6 o  545.419   5.2541  1029.58   19.834  1004.06   27.358  1057.86   28.795  538.585   7.3393  552.821   7.5259 -14.23596 10.51213 
1 1 1  -10   28    8 o  838.724   6.5933  2434.99   38.274  2400.69   53.061  2472.19   55.260  832.695   9.2069  844.993   9.4488 -12.29840 13.19271 
1 1 1  -10   28    9 o  755.372   6.2548  1975.11   32.700  1950.40   45.444  2001.64   47.089  750.531   8.7485  760.317   8.9485 -9.786072 12.51446 
1 1 1  -10   28   10 o  170.975   8.5272  101.225   10.091  101.377   13.543  101.036   15.129  170.669   11.533  170.255   12.936 0.4140320 17.33029 
1 1 1  -10   28   11 o  763.222   6.3451  2016.72   33.517  2077.49   47.952  1958.67   46.868  774.463   8.9459  751.984   9.0052 22.47809 12.69341 
1 1 1  -10   28   12 o  441.170   5.5358  673.860   16.903  697.447   23.531  648.716   24.296  448.729   7.5768  432.740   8.1121 15.98920 11.10020 
1 1 1  -10   28   13 o  198.952   8.6380  137.212   11.894  155.108   14.849  105.171   19.869  211.460   10.146  172.968   16.809 38.49223 19.63400 
1 1 1  -10   28   14 o  157.768   10.102   86.763   10.973   84.615   13.916   90.293   17.841  155.412   13.059  160.048   16.335 -4.635620 20.91338 
1 1 1  -10   28   15 o  236.580   7.3069  194.117   11.964  198.943   14.947  185.512   19.960  239.364   9.0225  230.444   12.562 8.919754 15.46645 
1 1 1  -10   28   16 o  172.451   8.9360  103.627   10.629   95.748   12.858  120.634   18.890  165.397   11.300  185.040   14.875 -19.64365 18.68046 
1 1 1  -10   28   17 o  174.691   7.8352  106.049   9.4732  108.641   10.748   97.024   20.056  176.718   8.7874  164.751   17.876 11.96732 19.91893 
1 1 1  -10   28   18 o  233.552   8.0730  189.829   13.050  189.829   13.050   0.0000   0.0000  233.552   8.0730  ?   ?  0.000000 8.072994 
1 1 1  -10   28   19 o   52.525   18.768   8.6661   8.6298   11.335   9.5958  -2.6239   19.736   57.992   19.858   57.877   25.459 0.1146126 32.28757 
1 1 1  -10   30    1 o  1095.27   7.9480  4152.62   60.250  3977.11   81.485  4364.29   89.489  1071.73   10.985  1122.65   11.517 -50.92468 15.91616 
1 1 1  -10   30    2 o  353.007   4.8593  431.283   11.872  403.806   16.133  463.745   17.535  341.559   6.8244  366.031   6.9216 -24.47183 9.720157 
1 1 1  -10   30    3 o  839.299   7.5557  2438.33   43.890  2432.75   53.537  2449.76   76.645  838.287   9.2276  841.044   13.167 -2.757324 16.07853 
1 1 1  -10   30    4 o  334.438   5.8164  387.117   13.463  391.215   16.143  377.756   24.401  336.193   6.9377  330.311   10.674 5.881256 12.73014 
1 1 1  -10   30    5 o  926.281   7.0164  2969.81   44.982  2930.42   62.748  3011.45   64.517  920.019   9.8543  932.648   9.9949 -12.62805 14.03581 
1 1 1  -10   30    6 o  341.671   5.6876  404.045   13.450  397.723   16.474  416.683   23.292  338.973   7.0218  346.922   9.7006 -7.948334 11.97526 
1 1 1  -10   30    7 o  222.222   8.5205  170.961   13.105  170.961   13.105   0.0000   0.0000  222.222   8.5205  ?   ?  0.000000 8.520493 
1 1 1  -10   30    8 o  554.231   6.1778  1063.26   23.698  1077.50   29.082  1035.12   40.881  557.895   7.5317  546.705   10.804 11.18976 13.17035 
1 1 1  -10   30   12 o  366.630   12.763  466.585   32.386   0.0000   0.0000  466.585   32.386  ?   ?   366.630   12.763 0.000000 12.76309 
1 1 1  -10   30   13 o  298.573   6.0854  308.796   12.575  321.612   17.073  293.598   18.592  304.591   8.0988  290.948   9.2327 13.64282 12.28137 
1 1 1  -10   30   14 o  209.479   8.1575  152.207   11.827  157.052   14.915  144.000   19.412  212.652   10.134  202.836   13.912 9.816101 17.21122 
1 1 1  -10   30   15 o  204.096   6.7268  144.446   9.5021  139.673   10.820  160.537   19.867  200.626   7.7923  214.091   13.477 -13.46561 15.56714 
1 1 1  -10   30   16 o  116.575   10.644   47.722   8.4928   50.507   9.6114   37.805   18.139  119.771   11.746  100.704   25.884 19.06697 28.42418 
1 1 1  -10   30   17 o  113.064   11.001   45.042   8.4999   46.213   9.5593   40.620   18.577  114.293   12.277  103.838   25.927 10.45497 28.68724 
1 1 1  -10   30   18 o  139.991   9.0815   68.617   8.7516   71.648   9.6657   54.829   20.616  142.921   9.8312  120.283   25.553 22.63840 27.37892 
1 1 1  -10   30   19 o   54.781   19.585   9.5296   9.3990   6.8862   10.837   17.556   18.883   52.929   20.589   74.226   27.570 -21.29638 34.40985 
1 1 1  -10   32    2 o  1377.44   11.148  6569.50  106.279  6204.88  173.047  6790.33  134.671  1338.01   18.686  1400.19   13.897 -62.18054 23.28733 
1 1 1  -10   32    3 o  1342.91   10.883  6244.05  101.153  6129.22  121.569  6502.44  182.363  1330.34   13.203  1369.66   19.237 -39.31567 23.33257 
1 1 1  -10   32    4 o  618.508   6.4084  1324.09   27.433  1291.46   32.741  1400.98   50.256  610.812   7.7447  636.084   11.416 -25.27118 13.79472 
1 1 1  -10   32    5 o  1130.28   9.4585  4422.92   73.992  4312.54   88.093  4687.32  136.344  1115.98   11.405  1163.02   16.938 -47.04150 20.42028 
1 1 1  -10   32    6 o  773.867   6.2546  2072.88   33.500  2018.54   46.147  2133.41   48.708  763.579   8.7319  784.997   8.9651 -21.41803 12.51481 
1 1 1  -10   32    7 o  242.648   6.0265  203.799   10.121  193.465   13.748  216.027   14.954  236.390   8.4028  249.791   8.6500 -13.40019 12.05940 
1 1 1  -10   32    8 o  416.772   6.1400  601.268   17.711  593.659   29.364  605.619   22.205  414.020   10.248  418.244   7.6708 -4.223328 12.80056 
1 1 1  -10   32    9 o  989.593   7.4478  3390.62   51.011  3362.77   71.247  3419.93   73.068  985.279   10.448  993.601   10.625 -8.321594 14.90153 
1 1 1  -10   32   11 o  113.827   11.794   45.415   9.1568   29.065   11.702   71.235   14.705   89.670   19.418  142.421   15.151 -52.75100 24.62993 
1 1 1  -10   32   12 o  218.805   9.0425  165.977   13.694  165.977   13.694   0.0000   0.0000  218.805   9.0425  ?   ?  0.000000 9.042499 
1 1 1  -10   32   13 o  216.699   6.9451  162.738   10.416  168.868   13.833  154.710   15.829  220.632   9.0590  210.788   10.888 9.844635 14.16348 
1 1 1  -10   32   14 o  154.545   12.642   83.711   13.404   91.366   20.767   78.244   17.550  160.271   19.097  148.517   17.403 11.75388 25.83753 
1 1 1  -10   32   15 o  246.003   7.3246  209.982   12.471  211.492   15.559  207.268   20.856  246.706   9.1123  243.494   12.417 3.212891 15.40162 
1 1 1  -10   32   16 o   91.932   13.135   30.141   8.1198   28.090   9.2038   37.341   17.246   88.160   15.658  100.026   24.984 -11.86637 29.48530 
1 1 1  -10   32   17 o  106.703   16.667   41.159   11.906   41.159   11.906   0.0000   0.0000  106.703   16.667  ?   ?  0.000000 16.66690 
1 1 1  -10   32   18 o  264.981   6.2225  243.919   11.412  235.391   12.740  278.537   25.669  260.161   7.0755  281.284   13.185 -21.12204 14.96371 
1 1 1  -10   32   19 o  122.597   14.532   54.116   12.091   43.259   15.114   73.415   20.150  107.131   21.135  140.210   21.446 -33.07826 30.11009 
1 1 1  -10   34    1 o  355.935   5.1676  438.471   12.730  435.409   18.013  441.526   17.994  354.669   7.3381  357.152   7.2793 -2.483337 10.33617 
1 1 1  -10   34    2 f  1282.05   9.0754  5690.05   80.528  5490.24  109.691  5923.62  118.596  1259.12   12.587  1307.83   13.102 -48.71204 18.16870 
1 1 1  -10   34    3 o  929.899   7.0449  2993.09   45.341  2910.52   62.380  3085.56   66.018  916.883   9.8300  944.039   10.104 -27.15533 14.09680 
1 1 1  -10   34    4 o  426.783   5.0924  630.402   15.042  614.667   20.967  647.089   21.592  421.396   7.1890  432.366   7.2154 -10.97043 10.18546 
1 1 1  -10   34    5 f  517.727   7.3720  927.855   26.416  927.855   26.416   0.0000   0.0000  517.727   7.3720  ?   ?  0.000000 7.372002 
1 1 1  -10   34    6 o  460.219   6.0869  733.126   19.388  720.049   23.037  764.878   35.897  456.073   7.2983  469.953   11.036 -13.88058 13.23123 
1 1 1  -10   34    7 o  594.900   7.8274  1225.27   32.228  1225.27   32.228   0.0000   0.0000  594.900   7.8274  ?   ?  0.000000 7.827397 
1 1 1  -10   34    8 o  509.906   5.3979  899.988   19.050  894.810   26.470  905.553   27.437  508.377   7.5229  511.412   7.7516 -3.034973 10.80192 
1 1 1  -10   34   10 o  446.736   5.4203  690.913   16.759  678.400   22.730  705.818   24.807  442.595   7.4203  451.425   7.9399 -8.830719 10.86753 
1 1 1  -10   34   11 o  461.807   7.8170  738.878   24.985  743.415   33.472  733.171   37.546  463.011   10.445  459.678   11.801 3.332825 15.75989 
1 1 1  -10   34   12 o  226.156   6.6172  177.198   10.358  169.172   13.591  188.316   15.997  220.874   8.8906  232.979   9.9206 -12.10423 13.32147 
1 1 1  -10   34   13 o  511.690   5.5405  907.005   19.621  930.817   27.284  881.498   28.238  518.125   7.6084  504.147   8.0929 13.97760 11.10778 
1 1 1  -10   34   14 o  136.743   10.537   65.398   9.8957   59.188   12.472   75.951   16.258  129.472   14.149  146.434   16.319 -16.96170 21.59858 
1 1 1  -10   34   15 o  254.134   7.1619  224.123   12.597  234.653   15.705  205.122   21.095  259.860   8.7319  242.091   12.634 17.76927 15.35766 
1 1 1  -10   34   16 o   72.208   16.242   19.075   7.9205   18.774   8.8408   20.298   17.828   71.499   17.905   77.897   27.047 -6.397545 32.43648 
1 1 1  -10   34   17 o   57.551   18.949   11.384   8.7459   11.384   8.7459   0.0000   0.0000   57.551   18.949  ?   ?  0.000000 18.94899 
1 1 1  -10   34   18 o  158.691   8.4739   88.065   9.2734   82.009   10.203  116.829   22.236  152.872   9.6935  179.776   18.118 -26.90414 20.54780 
1 1 1  -10   36    1 f  1170.37   9.7449  4742.40   78.937  4768.78  138.052  4729.58   96.218  1173.06   17.004  1168.66   11.896 4.408203 20.75173 
1 1 1  -10   36    2 o  1173.27   8.4528  4765.37   68.639  4567.53   92.885  5003.38  101.878  1148.46   11.686  1201.97   12.246 -53.50623 16.92719 
1 1 1  -10   36    3 o  637.343   5.6651  1405.95   24.990  1391.45   34.915  1421.17   35.782  633.997   7.9569  640.727   8.0690 -6.730469 11.33233 
1 1 1  -10   36    4 o  103.394   13.560   37.669   9.4698   39.371   11.616   34.298   16.351  105.324   16.476   97.482   24.316 7.841469 29.37170 
1 1 1  -10   36    5 o  974.609   8.4768  3288.60   57.179  3294.63   98.464  3285.53   70.236  975.056   14.591  974.038   10.418 1.017212 17.92847 
1 1 1  -10   36    6 o  813.266   7.5352  2289.78   42.413  2251.51   50.868  2377.07   76.825  806.362   9.1146  828.249   13.402 -21.88629 16.20757 
1 1 1  -10   36    7 o  698.056   8.4745  1687.29   40.943  1629.27   55.323  1757.56   60.880  685.762   11.656  712.200   12.351 -26.43774 16.98259 
1 1 1  -10   36    8 o  592.354   8.0646  1215.05   33.063   0.0000   0.0000  1215.05   33.063  ?   ?   592.354   8.0646 0.000000 8.064573 
1 1 1  -10   36    9 o  346.720   7.5638  416.309   18.151  416.309   18.151   0.0000   0.0000  346.720   7.5638  ?   ?  0.000000 7.563837 
1 1 1  -10   36   10 o  204.018   8.4215  144.212   11.892  149.898   13.694  126.781   23.978  207.967   9.5141  189.979   18.469 17.98830 20.77592 
1 1 1  -10   36   11 o  408.593   6.0408  578.219   17.083  580.021   20.517  574.146   30.846  409.155   7.2451  406.763   10.957 2.391602 13.13544 
1 1 1  -10   36   12 o  230.992   6.5815  184.885   10.522  175.681   13.847  197.462   16.187  225.049   8.8899  238.532   9.8046 -13.48294 13.23482 
1 1 1  -10   36   13 o  182.616   7.7404  115.669   9.7832  118.950   13.343  111.854   14.387  184.720   10.480  178.945   11.680 5.774933 15.69272 
1 1 1  -10   36   14 o  260.879   8.4410  236.323   15.241  236.323   15.241   0.0000   0.0000  260.879   8.4410  ?   ?  0.000000 8.440977 
1 1 1  -10   36   15 o   75.887   18.044   21.113   9.3381   14.652   11.355   34.610   16.413   65.465   21.593   96.461   24.529 -30.99648 32.67901 
1 1 1  -10   36   16 o   91.451   18.927   30.745   11.585   30.745   11.585   0.0000   0.0000   91.451   18.927  ?   ?  0.000000 18.92725 
1 1 1  -10   36   17 o  109.012   11.716   42.107   8.7009   36.296   9.5041   72.195   21.626  100.583   14.035  139.400   23.232 -38.81638 27.14266 
1 1 1  -10   36   18 o  112.866   13.896   45.714   10.625   53.545   12.351   23.415   20.841  121.957   14.946   81.863   29.175 40.09439 32.78003 
1 1 1  -10   38    1 o  490.147   5.2066  831.511   17.663  821.844   24.580  841.831   25.398  487.253   7.2889  493.139   7.4413 -5.886200 10.41634 
1 1 1  -10   38    2 o  488.932   6.0843  827.449   20.589  758.537   33.322  870.007   26.186  468.034   10.287  501.319   7.5471 -33.28497 12.75826 
1 1 1  -10   38    3 o  458.006   5.2623  726.050   16.681  726.255   23.286  725.834   23.907  458.033   7.3456  457.896   7.5438 0.1368408 10.52932 
1 1 1  -10   38    4 o  344.574   5.4458  410.960   12.987  385.473   17.533  441.948   19.332  333.685   7.5916  357.290   7.8179 -23.60449 10.89733 
1 1 1  -10   38    5 o  506.019   5.4013  886.290   18.917  896.932   26.545  875.310   26.965  508.994   7.5351  502.815   7.7483 6.178711 10.80806 
1 1 1  -10   38    6 o  802.847   6.4961  2231.35   36.096  2205.81   50.505  2258.02   51.608  798.098   9.1433  807.483   9.2344 -9.385132 12.99516 
1 1 1  -10   38    7 o  413.606   5.4487  592.173   15.597  558.901   20.920  633.816   23.405  401.766   7.5234  427.833   7.9041 -26.06738 10.91219 
1 1 1  -10   38    8 o  285.874   6.8558  282.969   13.565  291.020   16.183  263.951   24.873  289.881   8.0662  275.898   13.026 13.98273 15.32080 
1 1 1  -10   38    9 o  417.045   7.4353  602.400   21.461  602.400   21.461   0.0000   0.0000  417.045   7.4353  ?   ?  0.000000 7.435326 
1 1 1  -10   38   10 o  543.081   5.6177  1021.32   21.115  1003.80   28.759  1041.81   31.102  538.247   7.7200  548.299   8.1958 -10.05280 11.25916 
1 1 1  -10   38   11 o  227.486   6.8153  179.309   10.730  183.822   14.301  173.496   16.232  230.225   8.9752  223.576   10.490 6.648773 13.80524 
1 1 1  -10   38   12 o  342.531   6.5401  406.613   15.505  427.463   25.029  393.630   19.751  350.823   10.308  336.851   8.4717 13.97205 13.34256 
1 1 1  -10   38   13 o  173.948   7.9543  104.993   9.5763  122.263   13.008   84.559   14.150  187.289   10.072  155.172   13.304 32.11703 16.68656 
1 1 1  -10   38   14 o  308.840   5.9219  330.691   12.658  334.420   16.791  325.783   19.266  310.362   7.8168  306.152   9.0925 4.209259 11.99062 
1 1 1  -10   38   15 o  109.503   13.236   42.563   9.8280   31.469   11.644   70.049   18.328   92.703   18.791  139.278   19.552 -46.57463 27.11763 
1 1 1  -10   38   16 o  225.994   7.5290  177.560   11.776  167.923   13.929  201.707   22.050  219.533   9.1676  239.334   13.365 -19.80127 16.20690 
1 1 1  -10   38   17 o  170.536   9.5031  101.866   11.172   97.272   13.089  114.195   21.442  166.180   11.450  178.096   17.627 -11.91545 21.01912 
1 1 1  -10   38   18 f  119.148   11.707   50.458   9.5297   50.458   9.5297   0.0000   0.0000  119.148   11.707  ?   ?  0.000000 11.70747 
1 1 1  -10   40    1 o  389.778   5.3109  525.856   14.327  529.227   19.930  522.250   20.611  390.991   7.3648  388.399   7.6674 2.591797 10.63150 
1 1 1  -10   40    2 o  1018.16   7.5973  3588.82   53.536  3473.09   73.339  3720.85   78.331  1001.41   10.581  1036.49   10.919 -35.07721 15.20518 
1 1 1  -10   40    3 o  612.902   7.9374  1300.57   33.670  1322.93   47.793  1278.54   47.443  618.005   11.174  607.542   11.283 10.46252 15.87938 
1 1 1  -10   40    4 o  732.199   6.1570  1855.83   31.201  1855.56   43.861  1856.11   44.394  732.036   8.6571  732.140   8.7611 -0.1035156 12.31670 
1 1 1  -10   40    5 o  324.220   5.7121  363.875   12.818  370.168   17.683  356.908   18.607  326.971   7.8138  321.048   8.3740 5.922852 11.45332 
1 1 1  -10   40    6 o  410.863   5.5079  584.351   15.662  595.569   22.302  573.433   22.001  414.726   7.7698  406.944   7.8114 7.781342 11.01759 
1 1 1  -10   40    7 o  536.701   5.5317  997.172   20.548  988.220   28.680  1006.61   29.454  534.193   7.7571  539.135   7.8936 -4.941467 11.06711 
1 1 1  -10   40    8 o  239.402   6.7488  198.471   11.182  185.046   14.641  217.265   17.324  231.098   9.1538  250.379   9.9968 -19.28130 13.55466 
1 1 1  -10   40    9 o  522.579   7.6220  946.109   27.567  946.109   27.567   0.0000   0.0000  522.579   7.6220  ?   ?  0.000000 7.621972 
1 1 1  -10   40   10 o  324.616   6.4181  365.034   14.420  366.756   17.338  361.171   25.971  325.306   7.7005  322.513   11.635 2.793243 13.95226 
1 1 1  -10   40   11 o  210.021   7.1889  152.890   10.450  148.555   13.816  158.684   15.974  206.889   9.6485  213.471   10.848 -6.582352 14.51774 
1 1 1  -10   40   12 o  203.388   7.2403  143.445   10.192  142.855   13.511  144.223   15.526  202.811   9.6252  203.364   11.072 -0.5531616 14.67123 
1 1 1  -10   40   13 o   88.452   15.005   28.103   8.8575   31.665   11.741   23.397   13.493   93.255   18.840   80.245   23.067 13.00963 29.78340 
1 1 1  -10   40   14 o  347.813   5.6635  419.431   13.634  437.214   18.358  397.564   20.358  354.860   7.4748  338.190   8.6976 16.66989 11.46824 
1 1 1  -10   40   15 o   39.978   17.097  -0.0899   8.4044   10.663   10.866 -16.1021   13.260   58.762   21.052   38.450   18.280 20.31161 27.88130 
1 1 1  -10   40   16 o  255.065   7.2744  226.201   12.842  221.793   15.050  238.000   24.625  252.329   8.6178  259.724   13.748 -7.395416 16.22563 
1 1 1  -10   40   17 o   97.447   19.705   35.381   12.833   22.595   16.563   54.585   20.299   78.844   26.082  119.455   25.338 -40.61090 36.36358 
1 1 1  -10   42    1 o  1002.36   7.5160  3478.48   52.141  3404.88   72.118  3559.08   75.475  991.479   10.510  1013.66   10.758 -22.18097 15.03946 
1 1 1  -10   42    2 o  644.047   5.8231  1435.83   25.957  1392.31   35.557  1485.49   37.979  634.126   8.1016  654.990   8.3778 -20.86401 11.65434 
1 1 1  -10   42    3 o  485.758   5.4537  816.772   18.335  806.633   25.438  827.736   26.453  482.674   7.6146  488.940   7.8169 -6.266174 10.91262 
1 1 1  -10   42    4 o  312.061   6.7487  337.143   14.576  355.756   24.397  326.811   18.177  320.445   11.000  307.203   8.5490 13.24268 13.93156 
1 1 1  -10   42    5 f  289.435   7.0616  290.053   14.146  301.610   24.348  284.165   17.380  295.001   11.925  286.441   8.7667 8.559479 14.80087 
1 1 1  -10   42    6 o  645.822   6.7035  1444.15   29.963  1442.57   36.675  1447.32   51.961  645.380   8.2106  646.173   11.619 -0.7932739 14.22700 
1 1 1  -10   42    7 o  566.161   5.6056  1109.77   21.965  1056.82   29.897  1171.87   32.379  552.366   7.8203  581.643   8.0432 -29.27661 11.21829 
1 1 1  -10   42    8 o  303.462   5.9438  318.894   12.484  324.896   17.124  312.086   18.238  306.218   8.0798  300.087   8.7811 6.130768 11.93274 
1 1 1  -10   42    9 o  213.671   7.2882  158.193   10.778  146.143   14.203  174.553   16.549  205.257   9.9980  224.285   10.661 -19.02841 14.61564 
1 1 1  -10   42   10 f  553.663   6.3758  1062.09   24.432  1070.06   29.556  1044.88   43.415  555.587   7.6863  548.430   11.438 7.156677 13.78057 
1 1 1  -10   42   11 o  159.474   12.002   88.961   13.150   89.756   18.480   88.146   18.717  159.338   17.020  157.804   17.428 1.533600 24.36020 
1 1 1  -10   42   12 o  169.304   8.1745   99.486   9.5787   96.129   12.674  103.958   14.628  165.851   11.105  172.309   12.348 -6.458023 16.60709 
1 1 1  -10   42   13 o   84.720   15.588   25.931   8.8032   28.234   11.502   22.673   13.679   87.777   19.445   79.093   23.367 8.684509 30.39936 
1 1 1  -10   42   14 o  254.827   7.4390  225.535   13.120  234.299   15.023  197.366   26.934  259.606   8.3611  236.139   16.585 23.46768 18.57348 
1 1 1  -10   42   15 o  140.488   9.4059   69.087   9.0929   70.909   11.424   65.937   15.021  141.894   11.738  135.683   16.323 6.211121 20.10521 
1 1 1  -10   42   16 o   44.620   18.415   2.4376   9.2178   5.9075   12.100  -2.3614   14.230   53.895   21.512   49.428   21.683 4.466503 30.54337 
1 1 1  -10   42   17 o  140.206   11.507   69.587   11.067   76.407   13.033   51.951   20.957  146.523   12.986  115.470   26.748 31.05378 29.73408 
1 1 1  -10   44    1 o  683.266   5.9609  1616.13   28.189  1552.11   38.381  1691.10   41.536  669.491   8.2832  698.806   8.5879 -29.31512 11.93162 
1 1 1  -10   44    2 o  558.090   6.4110  1078.28   24.763  1096.19   30.257  1041.95   43.096  562.651   7.7698  548.367   11.355 14.28461 13.75892 
1 1 1  -10   44    3 o  303.269   5.8937  318.393   12.371  291.574   16.616  351.745   18.529  290.164   8.2738  318.697   8.4005 -28.53333 11.79085 
1 1 1  -10   44    4 o  219.302   7.1003  166.528   10.777  173.338   14.726  158.674   15.814  223.689   9.5115  213.989   10.678 9.700287 14.29981 
1 1 1  -10   44    5 o  394.674   6.2704  539.324   17.128  521.463   28.460  549.467   21.447  387.897   10.601  398.312   7.7799 -10.41577 13.14938 
1 1 1  -10   44    6 o  685.567   5.9940  1627.39   28.441  1580.81   39.111  1679.67   41.432  675.502   8.3656  696.282   8.5975 -20.77954 11.99591 
1 1 1  -10   44    7 o  316.948   5.8086  347.862   12.742  356.731   17.896  338.741   18.147  320.868   8.0583  312.656   8.3859 8.211700 11.63012 
1 1 1  -10   44    8 o  623.149   8.1743  1345.91   35.255  1292.68   48.534  1405.37   51.297  610.234   11.491  636.248   11.649 -26.01398 16.36301 
1 1 1  -10   44   10 o  202.582   8.9730  142.414   12.581  131.415   19.022  150.967   16.774  193.674   14.292  208.051   11.696 -14.37701 18.46787 
1 1 1  -10   44   11 o  191.934   8.1005  127.830   10.761  121.189   12.737  144.390   20.112  186.496   9.9034  202.891   14.416 -16.39574 17.49011 
1 1 1  -10   44   12 o  142.077   10.235   70.580   9.9969   68.735   11.931   74.927   18.315  139.850   12.457  144.742   18.722 -4.891769 22.48707 
1 1 1  -10   44   13 o  120.411   10.991   50.951   9.0585   52.275   11.722   48.989   14.273  121.367   14.224  116.485   18.308 4.882584 23.18409 
1 1 1  -10   44   14 o  255.245   8.4832  226.644   14.986  226.644   14.986   0.0000   0.0000  255.245   8.4832  ?   ?  0.000000 8.483208 
1 1 1  -10   44   15 o  203.566   7.4421  144.106   10.485  160.373   13.750  121.499   16.209  214.462   9.2632  185.643   12.691 28.81917 15.71241 
1 1 1  -10   44   16 o   47.295   18.325   5.3909   8.5583   8.5186   11.029   0.6568   13.569   55.489   20.975   50.751   21.714 4.738396 30.19087 
1 1 1  -10   46    1 o  464.623   7.4796  747.548   24.052  747.548   24.052   0.0000   0.0000  464.623   7.4796  ?   ?  0.000000 7.479628 
1 1 1  -10   46    2 f  263.616   6.3055  240.607   11.505  243.323   15.853  237.584   16.722  265.043   8.6421  261.882   9.2256 3.161194 12.64113 
1 1 1  -10   46    3 o  187.255   11.400  122.004   14.705   0.0000   0.0000  122.004   14.705  ?   ?   187.255   11.400 0.000000 11.40024 
1 1 1  -10   46    4 f  300.286   6.9506  312.271   14.446  321.707   24.592  307.299   17.850  304.588   11.665  297.826   8.6595 6.762207 14.52828 
1 1 1  -10   46    5 o  345.573   5.5892  413.486   13.368  413.078   18.432  413.938   19.417  345.319   7.7120  345.658   8.1165 -0.3399658 11.19607 
1 1 1  -10   46    6 o   70.219   20.290   17.567   10.415   15.137   16.784   19.090   13.282   72.104   26.122   74.223   23.252 -2.118744 34.97136 
1 1 1  -10   46    7 o  343.595   6.4891  408.960   15.431  416.258   18.823  394.000   26.950  346.566   7.8472  336.881   11.559 9.684723 13.97062 
1 1 1  -10   46    8 o  277.521   8.8217  267.115   16.944  276.829   23.244  256.098   24.753  282.267   11.898  271.368   13.179 10.89871 17.75544 
1 1 1  -10   46    9 o  192.417   7.6880  128.380   10.238  132.471   13.822  123.406   15.241  195.038   10.275  188.039   11.770 6.999878 15.62420 
1 1 1  -10   46   10 o  256.064   6.2645  227.260   11.102  210.241   14.538  251.072   17.196  246.124   8.5345  268.897   9.2400 -22.77292 12.57835 
1 1 1  -10   46   11 o  121.089   12.333   51.625   10.192   56.889   12.088   38.683   18.955  126.877   13.999  102.147   26.562 24.72976 30.02513 
1 1 1  -10   46   12 o  232.885   7.2898  188.252   11.750  174.176   13.912  223.268   21.943  223.836   8.9804  252.879   12.538 -29.04291 15.42207 
1 1 1  -10   46   13 o  100.900   16.602   36.777   11.191   36.777   11.191   0.0000   0.0000  100.900   16.602  ?   ?  0.000000 16.60248 
1 1 1  -10   46   14 o   81.883   15.763   24.428   8.6088   27.552   11.309   20.124   13.275   86.294   19.407   74.600   23.225 11.69414 30.26604 
1 1 1  -10   46   15 f   61.818   20.321   13.326   10.059   19.985   15.950   8.9270   12.963   75.491   25.603   58.736   22.610 16.75493 34.15728 
1 1 1  -10   46   16 o   75.084   23.580   20.901   13.650   0.0000   0.0000   20.901   13.650  ?   ?    75.084   23.580 0.000000 23.58003 
1 1 1  -10   48    1 o  457.032   5.4465  723.175   17.228  715.088   23.879  731.955   24.881  454.370   7.5931  459.684   7.8205 -5.314636 10.90029 
1 1 1  -10   48    2 o  305.048   6.6493  322.255   14.039  321.088   16.977  324.780   24.966  304.444   8.0569  306.003   11.788 -1.559570 14.27854 
1 1 1  -10   48    3 o  323.058   6.7264  361.458   15.040  376.927   25.834  353.527   18.498  329.657   11.323  319.425   8.3670 10.23209 14.07884 
1 1 1  -10   48    4 o  103.501   13.398   37.817   9.3725   50.649   12.662   22.267   13.939  119.687   15.661   79.294   23.627 40.39223 28.34654 
1 1 1  -10   48    5 o  715.938   6.1381  1775.26   30.415  1750.96   42.283  1801.31   43.783  710.736   8.5956  720.858   8.7757 -10.12219 12.28405 
1 1 1  -10   48    6 o  512.777   5.4908  910.619   19.487  915.707   27.397  905.409   27.723  514.018   7.7009  511.105   7.8370 2.912170 10.98740 
1 1 1  -10   48    7 o  127.256   12.652   56.851   10.996   68.293   18.330   50.419   13.743  138.362   19.697  118.998   17.185 19.36338 26.14007 
1 1 1  -10   48    8 o  102.220   13.657   37.020   9.4202   25.553   12.576   51.680   14.219   83.711   21.571  120.352   17.590 -36.64037 27.83388 
1 1 1  -10   48    9 o  451.774   6.3186  707.412   19.757  716.585   33.136  702.351   24.610  454.059   10.544  449.957   7.9026 4.102356 13.17677 
1 1 1  -10   48   10 o  311.343   5.7731  335.962   12.440  325.619   16.497  349.598   18.941  306.321   7.7812  317.298   8.6251 -10.97736 11.61636 
1 1 1  -10   48   11 o  254.230   6.3306  224.153   11.139  215.850   14.626  235.620   17.189  249.263   8.4778  260.294   9.5414 -11.03044 12.76368 
1 1 1  -10   48   12 o  130.549   13.969   60.369   12.426   60.369   12.426   0.0000   0.0000  130.549   13.969  ?   ?  0.000000 13.96917 
1 1 1  -10   48   13 o  265.161   6.8790  244.190   12.624  240.954   15.144  251.561   22.855  263.181   8.3141  268.074   12.318 -4.893158 14.86168 
1 1 1  -10   48   14 o   54.543   18.671   9.8504   8.4828   13.876   11.230   4.5000   12.946   63.727   21.484   53.758   21.962 9.969376 30.72241 
1 1 1  -10   48   15 o   87.248   15.147   27.728   8.8150   14.751   11.586   45.567   13.584   65.052   21.822  111.425   18.246 -46.37344 28.44519 
1 1 1  -10   50    1 f  145.453   9.3023   73.643   9.3156   76.511   12.653   70.247   13.766  147.934   12.474  141.471   14.253 6.462234 18.94107 
1 1 1  -10   50    2 o  311.311   5.7642  335.619   12.420  344.945   17.075  325.144   18.097  315.512   7.8195  306.284   8.5372 9.227875 11.57706 
1 1 1  -10   50    3 o  464.177   5.4021  746.112   17.355  737.336   23.934  755.844   25.203  461.296   7.4964  467.025   7.7970 -5.728973 10.81617 
1 1 1  -10   50    4 o  250.989   6.4853  218.228   11.266  212.266   15.321  225.248   16.624  247.420   8.9468  254.845   9.4248 -7.425598 12.99503 
1 1 1  -10   50    5 o  328.076   5.6705  372.802   12.876  351.343   17.315  399.346   19.258  318.364   7.8582  339.392   8.1983 -21.02737 11.35620 
1 1 1  -10   50    6 o  340.037   6.4394  400.637   15.155  418.817   18.554  364.195   26.268  347.570   7.7129  323.728   11.724 23.84283 14.03357 
1 1 1  -10   50    7 o  272.537   6.1999  257.381   11.695  278.169   16.160  234.521   16.946  283.184   8.2450  259.926   9.4196 23.25870 12.51831 
1 1 1  -10   50    8 o  144.105   11.435   72.683   11.311   58.585   18.260   81.462   14.409  127.299   21.490  152.239   13.826 -24.93994 25.55346 
1 1 1  -10   50    9 o   88.373   16.008   28.160   9.4309   23.526   12.733   33.790   14.036   80.314   22.177   95.960   21.649 -15.64547 30.99184 
1 1 1  -10   50   10 o   48.960   18.574   6.0744   8.6682   5.3726   11.329   7.0653   13.462   52.547   20.865   57.926   22.826 -5.379242 30.92529 
1 1 1  -10   50   11 o   38.797   16.997  -1.8854   8.7187   5.8700   11.215 -13.7315   13.861   52.871   20.834   41.118   19.284 11.75315 28.38895 
1 1 1  -10   50   12 o  108.385   12.065   41.571   8.8970   49.014   11.438   30.170   14.156  117.298   14.392   89.997   22.723 27.30000 26.89700 
1 1 1  -10   50   13 o   55.121   19.740   9.4058   9.5525   2.0568   11.636   24.595   16.729   48.948   20.485   82.189   26.139 -33.24049 33.20978 
1 1 1  -10   50   14 o  156.212   11.819   86.113   12.684   96.780   17.060   72.927   18.968  164.676   15.138  141.108   19.980 23.56799 25.06696 
1 1 1  -10   52    1 o  178.245   7.9036  110.127   9.7504  114.565   13.307  104.982   14.327  181.371   10.648  173.437   12.009 7.934387 16.04998 
1 1 1  -10   52    2 f  477.237   6.2847  789.002   20.758  792.683   35.504  787.090   25.588  477.862   10.735  476.526   7.7583 1.336365 13.24493 
1 1 1  -10   52    3 o  285.614   6.6774  282.653   13.200  283.283   15.922  281.268   23.602  285.850   8.0481  284.515   11.986 1.335602 14.43722 
1 1 1  -10   52    4 o  222.909   9.3748  172.408   14.463  172.408   14.463   0.0000   0.0000  222.909   9.3748  ?   ?  0.000000 9.374799 
1 1 1  -10   52    5 o  199.828   8.2623  138.497   11.427  137.991   13.393  139.854   21.909  199.377   9.7058  199.563   15.997 -0.1858978 18.71097 
1 1 1  -10   52    6 o  319.787   5.7276  354.315   12.677  366.668   17.435  340.460   18.465  325.152   7.7475  313.245   8.5170 11.90710 11.51357 
1 1 1  -10   52    7 o   62.027   18.771   13.602   8.7480   14.226   11.624   12.786   13.286   65.315   21.858   64.957   23.278 0.3576508 31.93206 
1 1 1  -10   52    8 o  244.191   7.9239  206.950   13.392  191.610   22.448  215.426   16.687  233.857   13.933  248.965   9.6840 -15.10739 16.96749 
1 1 1  -10   52    9 o  121.384   12.760   51.976   10.559   33.531   12.412  100.293   20.089   95.846   19.377  168.019   17.533 -72.17264 26.13207 
1 1 1  -10   52   10 o  133.672   10.580   62.634   9.7085   59.084   12.911   67.253   14.727  129.019   14.722  137.519   15.758 -8.500793 21.56523 
1 1 1  -10   52   11 o   68.619   19.674   17.147   9.8268   17.053   11.149   17.473   20.805   69.005   21.252   77.231   28.889 -8.226318 35.86407 
1 1 1  -10   52   12 o  134.327   9.8860   63.271   9.1264   55.765   11.604   75.446   14.778  125.299   13.599  145.630   14.870 -20.33174 20.15060 
1 1 1  -10   52   13 o   34.678   16.212  -9.0338   9.6633 -19.8195   14.340  -0.0629   13.079   38.559   18.515   49.373   21.227 -10.81334 28.16701 
1 1 1  -10   52   14 f  153.182   9.8704   82.451   10.409   82.591   12.291   82.098   19.574  152.845   11.707  149.724   19.341 3.120361 22.60853 
1 1 1  -10   54    1 o  214.834   7.7815  160.026   11.570  166.098   19.071  156.490   14.555  218.160   12.686  212.320   9.9047 5.839798 16.09429 
1 1 1  -10   54    2 o  189.273   10.876  124.858   14.187   0.0000   0.0000  124.858   14.187  ?   ?   189.273   10.876 0.000000 10.87556 
1 1 1  -10   54    3 o  473.386   5.4252  776.275   17.775  792.326   25.057  760.014   25.220  478.027   7.5734  468.152   7.7835 9.874664 10.86001 
1 1 1  -10   54    4 o  315.812   6.4710  345.673   14.144  349.408   17.093  337.561   25.191  317.405   7.7808  311.548   11.683 5.857635 14.03661 
1 1 1  -10   54    5 o  241.530   7.5732  202.334   12.660  204.000   20.717  201.341   15.993  241.749   12.424  240.772   9.5974 0.9767609 15.69913 
1 1 1  -10   54    6 o   95.635   13.592   32.524   8.7432   26.160   11.790   40.301   13.032   84.534   20.388  105.662   18.495 -21.12793 27.52670 
1 1 1  -10   54    7 o   77.770   18.827   22.120   10.025   20.278   15.972   23.318   12.879   77.081   25.618   79.979   22.383 -2.897545 34.01897 
1 1 1  -10   54    8 o  170.559   8.3085  101.041   9.8078   94.500   13.295  108.849   14.527  164.230   11.775  176.279   11.978 -12.04988 16.79653 
1 1 1  -10   54    9 o   71.746   20.134   18.769   10.406   24.610   17.195   15.394   13.071   83.076   26.510   67.979   23.177 15.09668 35.21263 
1 1 1  -10   54   10 o  248.182   7.4112  213.962   12.730  211.928   14.972  219.268   24.185  246.814   8.7649  249.638   14.055 -2.824188 16.56385 
1 1 1  -10   54   11 o   45.350   18.095   3.8824   8.5581   13.918   11.396  -9.0985   12.961   64.087   21.642   42.079   19.357 22.00881 29.03559 
1 1 1  -10   54   12 o  122.017   10.898   52.484   9.1068   51.656   11.912   53.649   14.128  120.167   14.624  121.751   17.248 -1.584229 22.61338 
1 1 1  -10   54   13 o  130.641   10.231   60.093   9.1766   71.958   12.229   44.802   13.883  142.456   12.531  110.276   18.868 32.18037 22.64970 
1 1 1  -10   56    1 o  162.867   8.3056   92.274   9.3311   98.450   12.865   85.418   13.555  167.907   11.133  156.127   12.653 11.77939 16.85357 
1 1 1  -10   56    2 o  122.182   10.597   52.274   8.8726   51.454   12.093   53.229   13.058  120.539   14.806  122.446   15.776 -1.907227 21.63560 
1 1 1  -10   56    3 f   83.766   15.580   25.292   8.7003   17.768   11.695   34.616   13.020   70.891   21.755   97.510   19.964 -26.61952 29.52678 
1 1 1  -10   56    4 f  326.399   6.5119  369.351   14.711  368.873   17.534  370.488   27.035  326.061   7.7695  326.192   11.975 -0.1302185 14.27479 
1 1 1  -10   56    5 o  188.618   8.4521  123.524   11.034  125.578   13.188  118.732   20.143  189.785   10.077  183.467   16.024 6.317566 18.92915 
1 1 1  -10   56    6 o   92.672   13.736   30.634   8.5438   26.903   11.273   35.669   13.096   85.706   19.451   98.871   19.827 -13.16483 27.77496 
1 1 1  -10   56    7 o  272.351   5.9627  257.194   11.240  260.476   15.070  253.079   16.873  273.873   7.9503  269.819   9.0351 4.053833 12.03499 
1 1 1  -10   56    9 o  257.869   6.4248  230.776   11.467  229.446   15.347  232.457   17.252  256.829   8.6337  258.343   9.6488 -1.514038 12.94759 
1 1 1  -10   56   10 o  295.018   7.3133  302.462   14.933  331.902   25.163  286.458   18.553  308.008   11.804  286.726   9.3489 21.28146 15.05779 
1 1 1  -10   56   11 o   57.762   20.606   10.497   10.400   24.727   15.730  -0.5525   13.861   81.890   25.247   50.406   21.762 31.48371 33.33186 
1 1 1  -10   56   12 o   44.041   18.562   1.2354   9.6626   3.0654   14.472  -0.2365   12.979   54.535   22.836   48.926   21.091 5.609219 31.08537 
1 1 1  -10   58    1 o  273.635   6.0145  259.539   11.391  263.698   15.795  255.033   16.442  275.616   8.2802  270.999   8.7661 4.616730 12.05847 
1 1 1  -10   58    2 o  333.144   6.5031  384.826   14.994  364.049   24.603  397.103   18.913  323.439   10.991  338.237   8.0790 -14.79837 13.64047 
1 1 1  -10   58    3 o  212.065   6.9301  155.987   10.172  154.517   13.721  157.781   15.155  210.859   9.4019  212.986   10.281 -2.127045 13.93178 
1 1 1  -10   58    4 o   91.113   14.503   29.730   8.8391   33.647   11.963   25.021   13.118   96.194   18.641   82.608   22.386 13.58616 29.13094 
1 1 1  -10   58    5 f  124.080   10.673   53.996   9.0767   47.465   12.077   62.473   13.759  115.370   15.519  132.685   15.261 -17.31506 21.76518 
1 1 1  -10   58    6 o  152.451   11.828   81.564   12.382   72.829   16.437   93.024   18.828  142.922   16.947  161.723   17.079 -18.80136 24.06006 
1 1 1  -10   58    7 o  195.863   7.2578  133.206   9.8387  133.876   13.068  132.328   14.949  196.104   9.6283  194.459   11.154 1.645447 14.73466 
1 1 1  -10   58    8 o  123.080   10.674   53.235   9.0024   57.358   11.849   47.605   13.846  127.196   13.674  114.678   18.041 12.51762 22.63721 
1 1 1  -10   58    9 o  275.674   7.0340  264.023   13.421  262.555   16.064  267.415   24.422  274.668   8.4500  276.198   12.776 -1.529999 15.31734 
1 1 1  -10   58   10 o   36.504   16.539  -4.8041   9.0059  -8.1540   11.848  -0.2206   13.859   40.331   18.536   50.698   21.825 -10.36646 28.63391 
1 1 1  -10   58   11 o  150.678   20.724   83.366   21.040   0.0000   0.0000   83.366   21.040  ?   ?   150.678   20.724 0.000000 20.72358 
1 1 1  -10   60    1 o  298.412   5.8280  308.723   12.037  304.800   16.338  313.380   17.802  296.277   7.9674  300.339   8.5640 -4.062073 11.69707 
1 1 1  -10   60    2 o  203.029   7.2568  143.057   10.197  144.855   13.957  140.999   14.934  204.051   9.8828  200.933   10.778 3.118042 14.62322 
1 1 1  -10   60    3 o  165.237   9.7012   95.310   11.046   98.439   17.785   93.345   14.094  166.820   15.585  163.036   12.588 3.784943 20.03312 
1 1 1  -10   60    4 f  208.815   7.0473  151.338   10.185  158.436   13.924  143.171   14.937  213.408   9.4271  202.437   10.699 10.97084 14.25959 
1 1 1  -10   60    5 o  141.722   10.978   70.445   10.684   84.146   17.309   62.012   13.580  153.776   16.522  132.089   15.127 21.68729 22.40073 
1 1 1  -10   60    6 o  116.408   10.979   47.687   8.7414   52.260   11.547   41.547   13.379  121.308   14.010  106.833   18.780 14.47474 23.43042 
1 1 1  -10   60    7 o   74.931   17.135   20.616   8.6934   24.595   11.506   15.324   13.271   81.495   20.436   67.815   23.347 13.68002 31.02774 
1 1 1  -10   60    8 o  146.498   9.2589   75.080   9.3396   67.674   12.330   85.049   14.305  138.299   13.035  155.069   13.462 -16.77007 18.73918 
1 1 1  -10   60    9 o  114.331   12.064   46.321   9.4020   42.908   12.350   51.025   14.500  108.748   16.962  118.386   18.285 -9.637978 24.94155 
1 1 1  -10   60   10 o  117.917   11.350   49.192   9.1484   27.383   12.133   77.931   13.928   85.439   20.729  148.020   13.752 -62.58092 24.87597 
1 1 1  -10   60   11 o  128.083   13.770   58.701   12.015   45.546   21.206   64.920   14.581  107.662   28.144  134.019   16.039 -26.35767 32.39321 
1 1 1  -10   62    1 o  259.069   6.1777  232.817   11.077  235.701   15.004  229.362   16.422  260.414   8.3247  256.760   9.2411 3.654510 12.43781 
1 1 1  -10   62    2 o   88.647   16.939   28.572   10.014   24.325   11.541   41.512   20.144   81.207   20.524  105.102   27.408 -23.89500 34.24082 
1 1 1  -10   62    3 o  338.984   6.4404  398.743   15.110  387.786   18.147  423.512   27.284  334.073   7.8484  348.362   11.316 -14.28955 13.77166 
1 1 1  -10   62    4 o  147.046   10.906   75.845   11.021   64.976   18.145   82.198   13.872  133.777   20.229  152.640   13.263 -18.86230 24.18909 
1 1 1  -10   62    5 o  139.505   9.6220   68.120   9.2335   71.198   12.463   64.375   13.747  142.029   12.817  134.491   15.025 7.537506 19.74946 
1 1 1  -10   62    6 o   42.438   17.689   1.5595   8.6278   0.3178   11.433   3.2019   13.149   46.833   19.983   52.886   21.923 -6.053665 29.66385 
1 1 1  -10   62    7 o  160.588   9.5830   90.254   10.603   92.022   12.440   85.561   20.268  161.837   11.175  153.669   19.496 8.167862 22.47127 
1 1 1  -10   62    8 o  160.387   8.3922   89.849   9.2835   96.386   12.733   82.432   13.564  165.557   11.178  152.613   12.964 12.94406 17.11781 
1 1 1  -10   62    9 o  141.473   9.8640   70.307   9.5980   64.905   12.816   77.205   14.483  134.896   13.928  147.094   14.411 -12.19852 20.04181 
1 1 1  -10   64    1 o  202.784   7.3246  142.860   10.280  153.511   13.751  129.365   15.478  209.933   9.4639  192.042   11.701 17.89125 15.04930 
1 1 1  -10   64    2 o  260.558   6.2798  235.627   11.325  232.984   15.307  238.824   16.833  258.770   8.5465  261.865   9.2877 -3.095154 12.62157 
1 1 1  -10   64    3 o  244.121   6.5445  206.909   11.057  211.051   15.155  202.194   16.169  246.211   8.8936  240.852   9.6998 5.358780 13.15985 
1 1 1  -10   64    4 o  229.280   7.7520  182.794   12.301  166.585   20.914  191.367   15.211  217.283   13.981  234.335   9.3787 -17.05205 16.83567 
1 1 1  -10   64    5 o  142.071   9.5575   70.699   9.3432   60.854   12.844   81.763   13.616  130.708   14.439  152.081   13.063 -21.37294 19.47108 
1 1 1  -10   64    6 o  113.030   11.483   45.184   8.8585   53.529   11.635   33.674   13.664  122.540   13.968   94.957   21.314 27.58275 25.48333 
1 1 1  -10   64    7 o   63.291   19.854   14.355   9.6796   19.580   11.555   2.0663   17.722   72.831   21.466   58.686   24.955 14.14558 32.91751 
1 1 1  -10   64    8 o   68.098   19.904   17.118   9.9714   24.144   11.996   1.4093   17.936   80.109   21.277   58.252   24.946 21.85617 32.78756 
1 1 1  -10   66    1 o   41.136   19.159 -11.5129   13.297   0.0000   0.0000 -11.5129   13.297  ?   ?    41.136   19.159 0.000000 19.15919 
1 1 1  -10   66    2 o   45.229   18.085   3.8184   8.5671   3.0567   11.412   4.8021   12.968   49.617   20.484   54.174   22.039 -4.556900 30.08851 
1 1 1  -10   66    3 o  164.375   9.7773   94.621   11.073   93.854   18.938   95.020   13.649  161.738   17.181  164.212   12.095 -2.473145 21.01108 
1 1 1  -10   66    4 o  172.667   7.9482  103.780   9.4985  106.484   12.816  100.485   14.149  174.175   10.683  168.818   12.192 5.357391 16.20972 
1 1 1  -10   66    5 o   54.025   18.677   9.5861   8.4965   16.186   11.528   1.7379   12.571   67.398   21.727   50.159   21.158 17.23822 30.32701 
1 1 1  -10   66    6 o   64.283   18.360   15.203   8.5745   24.170   11.220   2.6134   13.295   80.308   20.204   52.166   21.868 28.14181 29.77243 
1 1 1  -10   68    1 o  141.271   13.330   70.878   12.880   70.878   12.880   0.0000   0.0000  141.271   13.330  ?   ?  0.000000 13.33025 
1 1 1  -10   68    2 o  108.886   13.885   42.466   10.225   45.228   12.085   35.507   19.186  111.808   16.080   96.228   27.457 15.58031 31.81874 
1 1 1  -10   68    3 o  145.634   9.2285   74.344   9.2538   73.340   12.365   75.623   13.952  143.869   12.543  145.695   14.009 -1.826904 18.80387 
1 1 1  -10   68    4 o   97.858   13.342   34.377   8.8010   33.295   11.478   35.921   13.711   94.931   18.131   97.854   20.880 -2.922859 27.65334 
1 1 1   -9    1    1 o  2073.02   13.921 14876.73  199.733 14826.19  281.399 14928.05  283.542  2069.13   19.650  2076.22   19.732 -7.089600 27.84710 
1 1 1   -9    1    2 f  1939.26   13.073 13018.54  175.467 12892.09  245.475 13150.66  250.908  1929.51   18.382  1948.75   18.603 -19.23767 26.15254 
1 1 1   -9    1    3 o  2267.36   21.483 17808.23  337.133 17634.15  471.552 17990.24  482.182  2255.16   30.212  2277.76   30.586 -22.60034 42.99149 
1 1 1   -9    1    4 o  746.508   5.9070  1928.66   30.520  1900.38   42.661  1958.31   43.680  740.982   8.3186  752.190   8.3903 -11.20776 11.81506 
1 1 1   -9    1    5 o  1398.42   9.7144  6769.81   94.022  6771.42  132.992  6768.21  132.941  1398.33   13.742  1397.99   13.740 0.3316650 19.43227 
1 1 1   -9    1    6 o  528.553   5.0846  966.939   18.601  972.146   26.396  961.803   26.215  529.928   7.1969  527.102   7.1859 2.826477 10.17018 
1 1 1   -9    1    7 o  1347.01   9.4460  6283.98   88.064  6229.27  174.297  6302.74  102.048  1339.56   18.800  1348.84   10.931 -9.277222 21.74664 
1 1 1   -9    1    8 o  1959.57   15.343 13309.90  208.089 13629.06  261.258 12756.10  344.148  1982.05   19.045  1915.46   25.959 66.58630 32.19628 
1 1 1   -9    1   10 o  956.091   7.2069  3164.05   47.689  3205.30   68.236  3124.67   66.677  962.190   10.247  950.015   10.141 12.17560 14.41616 
1 1 1   -9    1   11 o  736.537   12.072  1878.54   61.537   0.0000   0.0000  1878.54   61.537  ?   ?   736.537   12.072 0.000000 12.07151 
1 1 1   -9    1   12 o  728.895   8.7270  1839.36   44.026   0.0000   0.0000  1839.36   44.026  ?   ?   728.895   8.7270 0.000000 8.727013 
1 1 1   -9    1   13 o  735.170   6.1920  1870.90   31.506  1879.80   36.679  1845.85   61.536  736.879   7.1918  729.925   12.181 6.953857 14.14538 
1 1 1   -9    1   14 o  807.294   6.5631  2256.34   36.670  2244.69   42.355  2291.22   73.282  805.145   7.6007  812.977   13.024 -7.831665 15.07954 
1 1 1   -9    1   15 o  432.137   7.4076  646.795   22.155  672.683   30.797  619.024   31.897  440.536   10.101  422.544   10.907 17.99197 14.86540 
1 1 1   -9    1   16 o  133.274   9.0482   61.874   8.2967   62.595   11.969   61.207   11.511  133.573   13.116  132.121   12.747 1.451416 18.28919 
1 1 1   -9    1   17 o  169.928   7.4746  100.122   8.7908  104.556   12.860   96.234   12.044  173.135   10.786  166.106   10.531 7.029800 15.07418 
1 1 1   -9    1   18 o  149.613   9.4965   78.104   9.7826   91.117   12.036   52.780   16.791  161.456   10.834  120.631   20.867 40.82555 23.51162 
1 1 1   -9    1   19 o  199.055   6.6456  137.502   9.1556  146.758   13.166  128.834   12.741  205.375   9.2623  192.391   9.5682 12.98465 13.31693 
1 1 1   -9    1   20 o  149.408   8.7262   77.998   8.9843   64.648   12.484   92.340   12.939  135.010   13.543  162.043   11.615 -27.03305 17.84127 
1 1 1   -9    1   21 o   54.364   18.536   9.9158   8.3607   2.9264   11.666   17.297   11.988   49.690   20.628   69.228   22.140 -19.53812 30.26063 
1 1 1   -9    3    1 o  1577.74   10.781  8616.12  117.724  8580.73  165.766  8652.12  167.218  1574.33   15.213  1580.86   15.283 -6.532593 21.56429 
1 1 1   -9    3    2 o  1973.82   13.294 13486.92  181.615 13790.15  263.157 13211.15  250.961  1995.52   19.054  1953.22   18.564 42.30688 26.60226 
1 1 1   -9    3    3 o  1550.93   12.288  8326.70  131.900  8242.03  159.852  8507.32  233.481  1542.90   14.969  1567.12   21.526 -24.22266 26.21966 
1 1 1   -9    3    4 o  926.979   7.9624  2974.14   51.085  2939.51   87.726  2991.90   62.838  921.412   13.756  929.704   9.7656 -8.291992 16.87004 
1 1 1   -9    3    5 o  629.458   5.4040  1371.29   23.543  1368.98   33.234  1373.63   33.356  628.889   7.6355  629.956   7.6504 -1.067627 10.80873 
1 1 1   -9    3    6 o  502.982   4.9534  875.639   17.244  880.488   34.354  874.005   19.937  504.246   9.8437  502.498   5.7326 1.748138 11.39125 
1 1 1   -9    3    7 o  851.722   6.5843  2511.37   38.814  2635.12   80.610  2474.02   44.286  871.931   13.358  845.312   7.5695 26.61865 15.35325 
1 1 1   -9    3    9 o  1220.35   10.065  5156.43   85.008  5575.61  158.980  4988.60  100.596  1268.23   18.112  1200.19   12.110 68.04626 21.78778 
1 1 1   -9    3   10 o  644.631   7.9897  1438.44   35.647  1438.44   35.647   0.0000   0.0000  644.631   7.9897  ?   ?  0.000000 7.989673 
1 1 1   -9    3   11 o  1850.86   12.597 11863.34  161.370 11869.86  186.493 11843.90  321.917  1851.15   14.556  1847.37   25.178 3.780396 29.08238 
1 1 1   -9    3   12 o  458.349   5.8515  727.154   18.563  731.878   22.677  717.561   32.316  459.814   7.1256  455.222   10.257 4.591614 12.48925 
1 1 1   -9    3   13 o  637.259   6.5407  1405.80   28.848  1405.77   35.195  1405.85   50.361  637.201   7.9804  637.056   11.422 0.1448364 13.93372 
1 1 1   -9    3   14 o  904.657   8.1735  2834.12   51.177  2834.12   51.177   0.0000   0.0000  904.657   8.1735  ?   ?  0.000000 8.173545 
1 1 1   -9    3   15 o  186.781   7.8373  120.848   10.132  116.787   11.840  131.951   19.579  183.339   9.3621  194.388   14.661 -11.04839 17.39505 
1 1 1   -9    3   16 o  233.352   12.717  189.756   20.461   0.0000   0.0000  189.756   20.461  ?   ?   233.352   12.717 0.000000 12.71665 
1 1 1   -9    3   17 o  291.772   7.1917  295.140   14.523  297.809   19.027  291.415   22.478  292.900   9.3861  289.546   11.217 3.354004 14.62582 
1 1 1   -9    3   18 o  187.920   7.6959  122.553   10.009  123.083   11.963  121.317   18.276  188.212   9.1836  185.786   14.324 2.426010 17.01509 
1 1 1   -9    3   19 o  132.313   10.225   61.344   9.2911   57.837   10.928   70.488   17.647  128.054   12.490  140.021   18.676 -11.96738 22.46702 
1 1 1   -9    3   20 o  109.476   14.960   42.983   11.039   42.983   11.039   0.0000   0.0000  109.476   14.960  ?   ?  0.000000 14.96016 
1 1 1   -9    3   21 o  122.603   11.415   53.194   9.5751   57.372   11.065   40.737   19.107  127.028   12.758  102.682   26.653 24.34634 29.54869 
1 1 1   -9    5    1 o  964.705   7.0462  3220.90   47.046  3221.41   66.556  3220.40   66.512  964.735   9.9678  964.584   9.9628 0.1513062 14.09304 
1 1 1   -9    5    2 o  1710.99   13.431 10134.51  159.047 10107.09  194.278 10190.24  276.948  1708.52   16.430  1715.06   23.331 -6.537720 28.53569 
1 1 1   -9    5    3 o  643.941   5.3560  1435.05   23.870  1403.39   33.175  1469.04   34.373  636.778   7.5274  651.500   7.6229 -14.72198 10.71314 
1 1 1   -9    5    4 o  163.598   6.8116   92.632   7.7127   95.610   14.325   91.417   9.1524  165.703   12.585  162.311   8.1734 3.391464 15.00629 
1 1 1   -9    5    5 o  1062.37   8.8745  3907.06   65.252  3837.56  110.671  3944.10   80.789  1052.54   15.192  1067.30   10.937 -14.76782 18.71933 
1 1 1   -9    5    7 f  807.975   7.3538  2260.22   41.123  2394.15   74.158  2200.74   49.418  831.158   12.891  797.182   8.9567 33.97656 15.69740 
1 1 1   -9    5    8 o  983.213   7.3210  3346.55   49.819  3209.76   95.395  3397.85   58.418  962.424   14.321  990.658   8.5202 -28.23358 16.66405 
1 1 1   -9    5    9 o  1062.75   10.977  3910.92   80.744  3910.92   80.744   0.0000   0.0000  1062.75   10.977  ?   ?  0.000000 10.97747 
1 1 1   -9    5   10 o  527.443   5.9916  962.866   21.872  943.937   26.594  1002.44   38.452  522.212   7.3580  538.090   10.325 -15.87799 12.67845 
1 1 1   -9    5   11 o  1254.10   10.271  5445.24   89.153  5426.83  108.778  5482.93  155.603  1251.82   12.555  1257.81   17.874 -5.990601 21.84296 
1 1 1   -9    5   12 o  1125.22   8.1961  4383.21   63.829  4373.77   73.644  4411.71  127.970  1123.93   9.4672  1128.20   16.389 -4.267090 18.92665 
1 1 1   -9    5   13 o  1095.73   8.0556  4156.98   61.091  4129.76   70.147  4242.44  124.306  1092.05   9.2809  1106.08   16.238 -14.02734 18.70310 
1 1 1   -9    5   14 o  559.199   6.3083  1082.59   24.415  1103.89   30.020  1040.98   41.961  564.615   7.6820  548.105   11.061 16.50952 13.46723 
1 1 1   -9    5   15 o  446.711   6.0622  690.974   18.743  703.800   23.036  665.854   32.238  450.772   7.3838  438.242   10.629 12.53040 12.94170 
1 1 1   -9    5   16 o  141.101   11.828   69.625   11.444   66.026   15.064   74.537   17.600  136.729   16.236  145.099   17.905 -8.370270 24.16990 
1 1 1   -9    5   17 o  364.279   5.6382  459.738   14.215  463.998   16.805  449.024   26.652  365.882   6.6362  359.475   10.712 6.407166 12.60124 
1 1 1   -9    5   18 o   91.968   14.477   30.263   8.9101   36.626   10.542   14.346   16.673  101.153   15.556   70.406   25.954 30.74623 30.25918 
1 1 1   -9    5   19 f  128.994   11.401   58.505   10.074   47.983   12.083   82.488   18.243  115.892   15.450  151.906   17.683 -36.01434 23.48114 
1 1 1   -9    5   20 o   70.480   18.638   18.323   9.2309   19.858   10.928   14.498   17.248   73.385   20.646   70.339   26.306 3.046402 33.44028 
1 1 1   -9    5   21 o  202.692   9.0870  143.473   12.748  136.352   15.867  156.439   21.409  196.679   11.709  209.586   14.855 -12.90770 18.91546 
1 1 1   -9    7    1 o  308.415   4.1987  329.179   8.9624  319.893   12.545  338.860   12.809  304.028   5.9617  312.911   5.9144 -8.883331 8.397738 
1 1 1   -9    7    2 o  1080.57   8.9463  4041.37   66.908  4020.89   81.597  4083.41  116.892  1077.79   10.939  1085.99   15.552 -8.206299 19.01347 
1 1 1   -9    7    3 o  957.629   7.0512  3173.91   46.735  3092.11   64.538  3264.09   67.767  945.155   9.8658  971.078   10.083 -25.92279 14.10669 
1 1 1   -9    7    4 o  914.347   7.9214  2893.71   50.129  2786.83   84.436  2951.88   62.297  897.131   13.599  923.446   9.7471 -26.31482 16.73102 
1 1 1   -9    7    5 o  578.212   5.1557  1157.12   20.632  1138.05   40.299  1163.89   24.019  573.320   10.156  579.889   5.9847 -6.568542 11.78804 
1 1 1   -9    7    6 o  1042.04   7.6055  3759.38   54.852  3971.22  115.096  3697.13   62.393  1070.23   15.538  1033.31   8.7243 36.92212 17.82010 
1 1 1   -9    7    7 o  1056.18   7.7220  3862.29   56.448  4052.68  117.509  3805.18   64.360  1081.03   15.706  1048.26   8.8710 32.77185 18.03782 
1 1 1   -9    7    8 o  725.965   5.9398  1824.21   29.845  1775.31   41.229  1878.05   43.258  716.091   8.3187  736.512   8.4862 -20.42120 11.88340 
1 1 1   -9    7    9 o  921.369   9.8637  2939.17   62.900  2939.17   62.900   0.0000   0.0000  921.369   9.8637  ?   ?  0.000000 9.863716 
1 1 1   -9    7   10 o  1037.88   10.828  3729.58   77.778  3593.66  106.046  3887.80  114.420  1018.55   15.043  1059.38   15.605 -40.82599 21.67532 
1 1 1   -9    7   11 o  284.108   5.4727  279.367   10.761  272.730   12.364  300.098   21.852  280.706   6.3642  294.403   10.725 -13.69641 12.47073 
1 1 1   -9    7   12 o  487.666   5.2625  823.123   17.762  832.397   20.683  797.073   34.666  490.391   6.0940  479.769   10.440 10.62234 12.08831 
1 1 1   -9    7   13 o  782.557   8.9195  2120.59   48.310  2120.59   48.310   0.0000   0.0000  782.557   8.9195  ?   ?  0.000000 8.919492 
1 1 1   -9    7   14 o  624.448   6.5374  1350.03   28.254  1371.71   34.826  1308.29   48.327  629.368   7.9950  614.429   11.364 14.93909 13.89481 
1 1 1   -9    7   15 o  329.426   6.2951  375.799   14.353  385.570   17.513  355.805   25.050  333.631   7.5841  320.304   11.300 13.32693 13.60904 
1 1 1   -9    7   16 o  200.134   7.4706  138.810   10.348  147.425   12.352  118.537   18.949  206.199   8.6554  183.934   15.016 22.26556 17.33206 
1 1 1   -9    7   17 f  341.711   6.7569  404.754   15.980  418.340   20.547  383.951   25.424  347.225   8.5497  332.349   11.053 14.87518 13.97352 
1 1 1   -9    7   18 o  211.833   7.0547  155.669   10.343  159.041   12.244  147.268   19.327  214.018   8.2660  204.896   13.708 9.121674 16.00700 
1 1 1   -9    7   19 o  104.822   14.996   39.326   10.569   39.326   10.569   0.0000   0.0000  104.822   14.996  ?   ?  0.000000 14.99612 
1 1 1   -9    7   20 o  135.059   10.326   64.061   9.5792   63.216   11.183   66.390   18.564  133.771   12.213  134.727   20.559 -0.9555359 23.91355 
1 1 1   -9    7   21 o  120.119   11.404   51.094   9.3672   50.943   10.929   51.512   18.185  119.413   13.458  116.715   23.327 2.697617 26.93069 
1 1 1   -9    9    1 o  863.450   9.2061  2580.47   55.016   0.0000   0.0000  2580.47   55.016  ?   ?   863.450   9.2061 0.000000 9.206119 
1 1 1   -9    9    2 o  698.561   5.6186  1688.84   27.165  1629.32   37.296  1756.09   39.646  686.118   7.8540  712.307   8.0418 -26.18945 11.24083 
1 1 1   -9    9    3 f  622.060   6.1341  1339.23   26.410  1282.93   44.979  1368.86   32.625  608.781   10.675  628.887   7.4956 -20.10577 13.04385 
1 1 1   -9    9    4 o  1044.54   8.7629  3776.77   63.351   0.0000   0.0000  3776.77   63.351  ?   ?   1044.54   8.7629 0.000000 8.762910 
1 1 1   -9    9    5 o  313.603   6.6745  340.423   14.487   0.0000   0.0000  340.423   14.487  ?   ?   313.603   6.6745 0.000000 6.674532 
1 1 1   -9    9    6 o  293.493   6.7588  298.201   13.729  304.146   19.071  291.805   19.780  296.353   9.2979  290.265   9.8461 6.087708 13.54245 
1 1 1   -9    9    7 o  550.064   7.2798  1047.52   27.715   0.0000   0.0000  1047.52   27.715  ?   ?   550.064   7.2798 0.000000 7.279838 
1 1 1   -9    9    9 o  609.165   10.830  1284.88   45.659  1284.88   45.659   0.0000   0.0000  609.165   10.830  ?   ?  0.000000 10.82956 
1 1 1   -9    9   10 o  416.170   7.0677  599.488   20.358  599.488   20.358   0.0000   0.0000  416.170   7.0677  ?   ?  0.000000 7.067716 
1 1 1   -9    9   11 o  808.310   6.4224  2261.46   35.930  2264.56   41.510  2252.20   71.746  808.838   7.4151  806.415   12.855 2.422791 14.84002 
1 1 1   -9    9   12 o  864.562   6.7402  2587.40   40.331  2608.45   46.869  2527.32   79.172  868.030   7.8014  854.107   13.393 13.92334 15.49966 
1 1 1   -9    9   13 o  417.164   6.0033  602.408   17.333  597.625   20.983  612.683   30.755  415.475   7.2970  420.575   10.566 -5.099854 12.84041 
1 1 1   -9    9   14 o  739.977   7.1011  1895.97   36.368  1943.74   45.290  1809.27   61.022  749.129   8.7351  722.453   12.204 26.67529 15.00797 
1 1 1   -9    9   15 o  135.681   11.941   64.359   11.099   60.842   14.369   69.561   17.475  131.316   16.151  140.167   18.463 -8.850098 24.53011 
1 1 1   -9    9   16 o  215.721   6.9448  161.249   10.369  173.947   12.449  132.488   18.736  224.004   8.0297  194.655   14.001 29.34956 16.13990 
1 1 1   -9    9   17 o  192.813   7.5295  128.927   10.048  130.342   11.832  125.268   19.027  193.791   8.8218  188.941   14.665 4.849991 17.11426 
1 1 1   -9    9   18 o  201.257   7.2310  140.539   10.072  153.298   12.097  111.707   18.185  210.105   8.3192  178.069   14.892 32.03577 17.05821 
1 1 1   -9    9   19 o  293.292   6.0915  298.417   12.365  293.290   14.430  312.585   23.989  290.623   7.1739  299.208   11.584 -8.584961 13.62538 
1 1 1   -9    9   20 o  125.127   12.069   55.355   10.322   47.435   11.996   77.951   20.262  114.920   15.475  146.138   20.605 -31.21789 25.76913 
1 1 1   -9    9   21 o  149.589   9.5815   78.562   9.8678   77.617   11.640   80.976   18.604  148.235   11.434  149.103   18.420 -0.8678284 21.68018 
1 1 1   -9   11    1 o  505.999   6.6974  886.119   23.455  856.097   32.920  917.073   33.427  497.326   9.5639  514.734   9.3828 -17.40854 13.39798 
1 1 1   -9   11    2 o  985.518   8.3365  3361.67   56.862  3407.32  100.292  3340.04   69.029  992.003   14.608  982.300   10.153 9.702820 17.78963 
1 1 1   -9   11    3 o  754.778   8.4288  1971.89   44.032   0.0000   0.0000  1971.89   44.032  ?   ?   754.778   8.4288 0.000000 8.428840 
1 1 1   -9   11    4 o  893.723   9.5124  2765.20   58.840   0.0000   0.0000  2765.20   58.840  ?   ?   893.723   9.5124 0.000000 9.512427 
1 1 1   -9   11    5 o  637.566   10.781  1407.81   47.574  1407.81   47.574   0.0000   0.0000  637.566   10.781  ?   ?  0.000000 10.78112 
1 1 1   -9   11    6 o  626.806   10.683  1360.98   46.343  1360.98   46.343   0.0000   0.0000  626.806   10.683  ?   ?  0.000000 10.68254 
1 1 1   -9   11    7 o  200.091   8.1654  138.618   11.308  138.618   11.308   0.0000   0.0000  200.091   8.1654  ?   ?  0.000000 8.165362 
1 1 1   -9   11    8 o  591.660   10.658  1212.19   43.645  1212.19   43.645   0.0000   0.0000  591.660   10.658  ?   ?  0.000000 10.65829 
1 1 1   -9   11    9 o  443.135   5.0064  679.624   15.355  664.090   21.171  696.863   22.303  438.017   6.9835  448.692   7.1818 -10.67508 10.01738 
1 1 1   -9   11   10 o  511.720   5.2735  906.284   18.677  901.218   25.781  911.880   27.094  510.260   7.3002  513.265   7.6271 -3.004211 10.55774 
1 1 1   -9   11   11 f  785.888   12.702  2139.02   69.088   0.0000   0.0000  2139.02   69.088  ?   ?   785.888   12.702 0.000000 12.70175 
1 1 1   -9   11   12 o  590.382   7.6665  1206.65   31.326  1206.65   31.326   0.0000   0.0000  590.382   7.6665  ?   ?  0.000000 7.666451 
1 1 1   -9   11   13 o  357.778   5.4292  443.082   13.444  448.476   15.612  427.610   26.442  359.934   6.2671  351.341   10.874 8.592377 12.55064 
1 1 1   -9   11   14 o  388.029   6.0879  521.278   16.350  531.949   20.034  500.000   28.290  391.940   7.3853  379.848   10.761 12.09167 13.05151 
1 1 1   -9   11   15 o  318.820   5.7088  351.969   12.597  371.055   14.929  304.780   23.473  327.317   6.5898  296.405   11.442 30.91202 13.20427 
1 1 1   -9   11   16 o  232.073   6.6253  186.610   10.642  188.163   12.467  182.439   20.427  232.985   7.7314  228.705   12.958 4.280167 15.08922 
1 1 1   -9   11   17 o  287.472   6.0343  286.387   12.006  280.272   13.997  303.415   23.357  284.308   7.1131  295.355   11.426 -11.04688 13.45922 
1 1 1   -9   11   18 o  159.166   13.141   89.042   14.347   89.042   14.347   0.0000   0.0000  159.166   13.141  ?   ?  0.000000 13.14126 
1 1 1   -9   11   19 o  101.849   12.588   36.818   8.6843   42.986   10.244   21.059   16.375  109.917   13.767   77.845   25.942 32.07178 29.36910 
1 1 1   -9   11   20 o  166.784   10.768   97.647   12.364  109.814   15.973   79.463   19.527  176.308   13.185  147.889   19.557 28.41916 23.58699 
1 1 1   -9   11   21 o   52.077   19.516   7.6688   9.5027   0.8661   11.312   23.985   17.518   46.781   19.916   80.849   26.828 -34.06778 33.41235 
1 1 1   -9   13    1 o  517.318   5.5879  926.188   20.007  889.268   34.096  945.576   24.708  506.859   9.7193  522.693   6.8300 -15.83453 11.87914 
1 1 1   -9   13    2 f  1855.58   14.507 11923.08  186.307   0.0000   0.0000 11923.08  186.307  ?   ?   1855.58   14.507 0.000000 14.50675 
1 1 1   -9   13    3 o  1858.89   14.550 11967.58  187.199   0.0000   0.0000 11967.58  187.199  ?   ?   1858.89   14.550 0.000000 14.55035 
1 1 1   -9   13    4 o  369.004   8.9160  471.415   22.771  471.415   22.771   0.0000   0.0000  369.004   8.9160  ?   ?  0.000000 8.916014 
1 1 1   -9   13    5 f  492.586   6.8299  839.985   23.285  918.049   34.781  776.585   31.345  514.867   9.7606  473.547   9.5638 41.31973 13.66510 
1 1 1   -9   13    6 o  548.652   7.1675  1042.16   27.217  1042.16   27.217   0.0000   0.0000  548.652   7.1675  ?   ?  0.000000 7.167531 
1 1 1   -9   13    7 o  703.713   5.7978  1714.10   28.238  1707.19   39.735  1721.15   40.137  702.215   8.1758  705.077   8.2249 -2.861877 11.59707 
1 1 1   -9   13    8 o  1317.04   10.690  6006.37   97.445  6004.88  168.271  6007.12  119.526  1316.08   18.473  1316.92   13.114 -0.8388672 22.65476 
1 1 1   -9   13    9 o  804.239   6.3780  2238.70   35.501  2246.06   50.070  2231.25   50.344  805.490   8.9814  802.826   9.0604 2.663574 12.75756 
1 1 1   -9   13   10 f  654.596   5.7561  1483.05   26.078  1458.24   36.005  1510.43   37.822  649.054   8.0151  660.559   8.2728 -11.50500 11.51872 
1 1 1   -9   13   12 o  146.365   8.7564   74.440   8.8297   75.066   10.117   72.439   18.086  146.890   10.011  143.308   18.679 3.581955 21.19239 
1 1 1   -9   13   13 o  967.335   8.4338  3240.26   56.465  3344.88   70.983  3060.00   93.176  982.659   10.437  939.473   14.330 43.18585 17.72792 
1 1 1   -9   13   14 o  475.016   10.538  781.951   34.644   0.0000   0.0000  781.951   34.644  ?   ?   475.016   10.538 0.000000 10.53771 
1 1 1   -9   13   15 o  252.471   6.3924  220.764   11.170  236.760   13.148  179.268   21.177  261.427   7.2665  226.783   13.554 34.64374 15.37878 
1 1 1   -9   13   16 o  535.166   5.5518  992.014   20.564  992.284   23.797  991.219   40.861  535.156   6.4248  534.234   11.051 0.9223633 12.78286 
1 1 1   -9   13   17 o  268.232   6.1268  249.361   11.374  254.227   13.175  235.122   22.536  270.772   7.0304  259.836   12.532 10.93658 14.36902 
1 1 1   -9   13   18 o   63.474   18.001   14.555   8.2723   17.695   9.8779   7.1805   15.136   69.813   19.626   60.489   24.087 9.323605 31.06971 
1 1 1   -9   13   19 o   74.751   17.187   20.503   8.7059   16.913   10.213   30.044   16.651   68.337   20.192   89.874   25.557 -21.53731 32.57075 
1 1 1   -9   13   20 o  202.502   7.6304  142.663   10.694  138.241   12.417  155.366   21.044  199.130   9.0097  209.371   14.614 -10.24055 17.16826 
1 1 1   -9   13   21 o  109.795   12.777   43.081   9.5280   41.150   11.024   48.780   18.944  106.520   15.400  112.617   24.960 -6.096519 29.32844 
1 1 1   -9   15    1 o  1345.31   9.3667  6265.03   87.215  5970.73  165.480  6378.22  102.624  1312.79   18.213  1357.34   10.924 -44.54565 21.23763 
1 1 1   -9   15    2 o  1320.55   9.2234  6036.74   84.299  5731.71  159.240  6155.51   99.365  1286.17   17.889  1333.40   10.767 -47.23389 20.87901 
1 1 1   -9   15    3 o  771.254   12.100  2060.00   64.591  2060.00   64.591   0.0000   0.0000  771.254   12.100  ?   ?  0.000000 12.10031 
1 1 1   -9   15    4 o  710.843   11.510  1750.24   56.627  1750.24   56.627   0.0000   0.0000  710.843   11.510  ?   ?  0.000000 11.50984 
1 1 1   -9   15    5 o  502.133   4.8973  872.721   17.020  861.623   23.872  884.194   24.272  498.878   6.9138  505.369   6.9395 -6.491455 9.795766 
1 1 1   -9   15    6 o  363.003   6.5755  456.160   16.520  456.160   16.520   0.0000   0.0000  363.003   6.5755  ?   ?  0.000000 6.575497 
1 1 1   -9   15    7 o  657.839   6.4208  1497.95   29.234  1493.17   50.084  1500.42   36.004  656.628   11.020  658.338   7.9017 -1.709961 13.56052 
1 1 1   -9   15    8 o  934.821   7.0339  3024.90   45.510  3038.22   64.524  3011.72   64.198  936.762   9.9521  932.668   9.9452 4.093811 14.06958 
1 1 1   -9   15    9 o  575.964   7.5502  1148.27   30.097  1148.27   30.097   0.0000   0.0000  575.964   7.5502  ?   ?  0.000000 7.550166 
1 1 1   -9   15   10 o  476.508   5.2739  785.853   17.393  800.495   24.446  770.841   24.753  480.899   7.3447  471.904   7.5786 8.994995 10.55371 
1 1 1   -9   15   11 o  433.382   6.2279  650.104   18.680  627.279   21.800  713.171   36.237  425.687   7.3994  453.797   11.538 -28.10999 13.70654 
1 1 1   -9   15   12 o  395.031   10.895  540.488   29.787   0.0000   0.0000  540.488   29.787  ?   ?   395.031   10.895 0.000000 10.89463 
1 1 1   -9   15   13 o  660.237   6.7247  1509.16   30.729  1582.27   38.699  1384.39   50.554  675.965   8.2717  632.089   11.556 43.87659 14.21118 
1 1 1   -9   15   14 o  174.513   8.0341  105.485   9.7038  101.268   11.352  116.927   18.698  170.684   9.6494  182.934   14.897 -12.25011 17.74930 
1 1 1   -9   15   15 o  249.595   6.8258  215.803   11.791  224.592   14.311  197.219   20.809  254.574   8.1221  237.979   12.679 16.59486 15.05773 
1 1 1   -9   15   16 o  362.020   5.5311  453.968   13.859  457.156   16.238  445.415   26.594  363.227   6.4591  358.125   10.729 5.102264 12.52345 
1 1 1   -9   15   17 o  108.422   11.781   41.392   8.6986   44.404   10.129   32.932   16.977  112.086   13.318   94.640   25.392 17.44612 28.67246 
1 1 1   -9   15   18 o  151.815   8.7953   80.369   9.2019   77.742   10.823   87.220   17.479  149.053   10.560  156.779   16.349 -7.726013 19.46299 
1 1 1   -9   15   19 o  194.042   11.918  132.131   15.929  116.146   27.238  140.439   19.636  178.669   22.527  199.471   14.319 -20.80151 26.69279 
1 1 1   -9   15   20 o  161.606   8.8205   91.307   9.8284   89.532   11.522   96.049   18.833  159.688   10.483  163.616   16.873 -3.928787 19.86437 
1 1 1   -9   15   21 o   72.656   17.985   19.734   8.9954   18.263   10.271   24.576   18.639   69.960   20.129   81.793   27.678 -11.83258 34.22331 
1 1 1   -9   17    1 o  358.269   8.6912  444.341   21.551  444.341   21.551   0.0000   0.0000  358.269   8.6912  ?   ?  0.000000 8.691218 
1 1 1   -9   17    2 o  472.574   5.4103  772.959   17.696  694.634   28.573  821.695   22.538  447.923   9.2166  487.224   6.6837 -39.30072 11.38500 
1 1 1   -9   17    3 o  211.900   4.9018  155.410   7.1889  169.761   10.021  140.193   10.319  221.453   6.5380  201.237   7.4089 20.21648 9.881144 
1 1 1   -9   17    4 o  490.543   4.8296  832.888   16.397  786.934   22.231  887.708   24.282  476.774   6.7372  506.377   6.9283 -29.60297 9.663890 
1 1 1   -9   17    6 o  947.291   7.0624  3106.44   46.304  3031.21   63.960  3189.29   67.121  935.596   9.8774  959.667   10.106 -24.07013 14.13100 
1 1 1   -9   17    8 o  1169.80   8.3856  4737.12   67.893  4668.27   94.455  4810.72   97.655  1161.09   11.754  1178.66   11.971 -17.56775 16.77673 
1 1 1   -9   17    9 o  609.940   7.7192  1287.75   32.586  1287.75   32.586   0.0000   0.0000  609.940   7.7192  ?   ?  0.000000 7.719224 
1 1 1   -9   17   10 o  1180.46   17.043  4828.78  139.240   0.0000   0.0000  4828.78  139.240  ?   ?   1180.46   17.043 0.000000 17.04268 
1 1 1   -9   17   12 o  856.626   7.8407  2540.60   46.486  2631.53   58.504  2384.88   76.563  871.709   9.6969  829.582   13.335 42.12762 16.48777 
1 1 1   -9   17   13 o  855.176   13.578  2535.61   80.368   0.0000   0.0000  2535.61   80.368  ?   ?   855.176   13.578 0.000000 13.57846 
1 1 1   -9   17   14 o  318.390   5.5993  350.972   12.339  361.564   14.565  324.049   23.222  323.131   6.5125  305.726   10.974 17.40485 12.76134 
1 1 1   -9   17   15 f  367.704   5.4452  468.215   13.858  481.100   16.294  434.537   26.343  372.684   6.3171  353.876   10.756 18.80826 12.47364 
1 1 1   -9   17   16 o   97.893   16.175   34.311   10.576   34.311   10.576   0.0000   0.0000   97.893   16.175  ?   ?  0.000000 16.17515 
1 1 1   -9   17   17 o   31.900   14.836  -7.1331   7.9259  -2.9153   9.2750 -18.5512   15.261   39.189   17.335   41.404   19.663 -2.214314 26.21335 
1 1 1   -9   17   18 o  335.479   5.7770  390.232   13.414  384.576   15.532  406.829   26.607  332.922   6.7406  341.612   11.253 -8.690033 13.11764 
1 1 1   -9   17   19 o   62.616   18.644   14.130   8.6817   12.502   10.223   18.341   16.442   60.880   20.499   74.298   25.964 -13.41792 33.08061 
1 1 1   -9   17   20 o  107.110   15.845   41.483   11.392   45.754   14.495   34.585   18.422  111.474   19.498   95.194   26.816 16.27992 33.15497 
1 1 1   -9   17   21 o   84.383   15.888   26.218   8.9385   21.955   10.258   39.663   18.219   76.343   19.380  100.799   25.958 -24.45605 32.39475 
1 1 1   -9   19    1 o  653.723   5.4695  1479.17   24.747  1391.71   46.886  1512.95   29.136  633.927   10.686  661.121   6.3675 -27.19452 12.43944 
1 1 1   -9   19    2 o  651.206   6.2924  1467.94   28.360  1434.15   48.200  1485.84   35.074  643.483   10.823  655.115   7.7355 -11.63226 13.30300 
1 1 1   -9   19    3 o  1377.44   11.074  6572.61  105.575  6366.18  124.948  7087.81  197.392  1355.33   13.320  1428.76   19.961 -73.43591 23.99762 
1 1 1   -9   19    4 o  811.611   6.2799  2280.31   35.276  2221.34   48.681  2345.51   51.189  800.916   8.7820  822.984   8.9869 -22.06830 12.56539 
1 1 1   -9   19    6 o  117.928   9.3939   48.457   7.6036   34.678   12.356   56.855   9.6462   98.361   18.837  127.655   11.026 -29.29392 21.82649 
1 1 1   -9   19    7 o  255.069   7.2909  225.206   12.871  225.206   12.871   0.0000   0.0000  255.069   7.2909  ?   ?  0.000000 7.290902 
1 1 1   -9   19    8 o  223.606   5.7342  173.051   8.8742  162.367   12.006  185.919   13.176  216.578   8.0093  231.752   8.2143 -15.17404 11.47279 
1 1 1   -9   19    9 o  240.344   5.8831  199.930   9.7863  199.747   13.289  200.147   14.466  240.219   7.9929  240.453   8.6922 -0.2343750 11.80853 
1 1 1   -9   19   10 o  341.781   5.3611  404.303   12.682  411.261   17.629  396.840   18.257  344.688   7.3896  338.585   7.7907 6.102539 10.73787 
1 1 1   -9   19   12 o  1309.50   18.593  5951.22  168.512  5951.22  168.512   0.0000   0.0000  1309.50   18.593  ?   ?  0.000000 18.59307 
1 1 1   -9   19   13 o  791.708   12.949  2173.17   70.953   0.0000   0.0000  2173.17   70.953  ?   ?   791.708   12.949 0.000000 12.94879 
1 1 1   -9   19   14 o  786.090   7.3858  2140.39   40.183  2245.48   50.996  1968.29   65.262  804.956   9.1535  753.173   12.520 51.78345 15.50891 
1 1 1   -9   19   15 o  342.170   6.7327  405.631   15.944  400.592   20.227  413.902   25.913  339.914   8.5976  345.324   10.842 -5.409973 13.83716 
1 1 1   -9   19   16 o   71.636   17.867   18.658   8.8289   14.195   10.663   28.390   15.746   64.518   20.906   88.367   24.756 -23.84917 32.40278 
1 1 1   -9   19   17 o  204.083   6.9421  144.456   9.8056  152.722   11.486  122.244   18.830  209.770   7.9113  186.445   14.711 23.32402 16.70370 
1 1 1   -9   19   18 o  126.841   12.033   56.660   10.437   45.722   13.108   75.610   17.252  112.670   17.367  145.474   17.485 -32.80385 24.64424 
1 1 1   -9   19   19 o   48.904   18.457   6.3319   8.5306   15.467   9.9493 -19.0244   16.576   65.605   20.055   43.330   20.553 22.27481 28.71603 
1 1 1   -9   19   20 o   38.798   16.885  -1.1330   8.4800   7.6074   9.8735 -25.7073   16.556   52.670   19.862   40.043   19.391 12.62737 27.75779 
1 1 1   -9   21    1 o  288.960   6.4411  289.050   12.882  289.050   12.882   0.0000   0.0000  288.960   6.4411  ?   ?  0.000000 6.441109 
1 1 1   -9   21    2 o  414.358   4.6263  594.264   13.268  583.059   18.443  606.284   19.101  410.396   6.4929  418.488   6.5947 -8.091583 9.254676 
1 1 1   -9   21    3 o  630.386   5.3830  1375.53   23.486  1331.67   32.347  1424.43   34.155  620.180   7.5359  641.408   7.6939 -21.22809 10.76966 
1 1 1   -9   21    4 o  537.127   7.1259  998.785   26.491   0.0000   0.0000  998.785   26.491  ?   ?   537.127   7.1259 0.000000 7.125902 
1 1 1   -9   21    5 o  1163.12   8.3131  4683.68   66.921  4568.53   92.202  4811.88   97.284  1148.49   11.599  1178.65   11.926 -30.16272 16.63630 
1 1 1   -9   21    6 o  1405.28   9.7868  6837.56   95.188  6673.99  131.127  7019.76  138.399  1388.03   13.649  1423.49   14.048 -35.45972 19.58678 
1 1 1   -9   21    7 o  149.762   10.821   78.062   11.141   0.0000   0.0000   78.062   11.141  ?   ?   149.762   10.821 0.000000 10.82145 
1 1 1   -9   21    8 f  116.918   9.5065   47.637   7.6261   47.570   10.234   47.721   11.435  116.490   12.911  116.482   14.498 0.8293152E-02 19.41359 
1 1 1   -9   21    9 f  1484.34   20.611  7639.02  211.738   0.0000   0.0000  7639.02  211.738  ?   ?   1484.34   20.611 0.000000 20.61050 
1 1 1   -9   21   10 o  987.121   7.4013  3373.02   50.566  3403.64   71.873  3343.00   71.154  991.442   10.474  982.571   10.463 8.871277 14.80484 
1 1 1   -9   21   13 o  229.477   8.0818  182.381   12.836  182.880   16.281  181.561   20.866  229.734   10.239  228.421   13.256 1.313034 16.74978 
1 1 1   -9   21   14 o  270.431   7.0545  253.321   13.204  249.298   16.273  261.073   22.589  268.206   8.7666  274.298   11.899 -6.092194 14.77946 
1 1 1   -9   21   15 o  397.065   6.3162  546.198   17.358  546.198   17.358   0.0000   0.0000  397.065   6.3162  ?   ?  0.000000 6.316218 
1 1 1   -9   21   16 o  267.263   5.9850  247.518   11.071  260.633   12.945  211.805   21.362  274.197   6.8212  246.352   12.570 27.84454 14.30194 
1 1 1   -9   21   17 o   63.042   18.390   14.254   8.5198   20.700   10.170  -0.9146   15.601   75.240   19.404   53.677   23.131 21.56265 30.19210 
1 1 1   -9   21   18 o  233.208   6.4927  188.718   10.480  190.604   12.173  183.317   20.598  234.263   7.5078  228.540   13.076 5.722763 15.07843 
1 1 1   -9   21   19 o   57.117   18.591   11.285   8.4279   11.751   9.6552   9.7951   17.273   59.041   19.921   65.442   25.834 -6.400257 32.62259 
1 1 1   -9   21   20 o   94.956   14.214   32.533   9.0541   26.759   10.423   50.293   18.278   84.907   18.277  115.287   23.700 -30.38000 29.92870 
1 1 1   -9   23    1 o  546.403   7.1430  1033.63   27.013   0.0000   0.0000  1033.63   27.013  ?   ?   546.403   7.1430 0.000000 7.142999 
1 1 1   -9   23    2 o  617.411   6.1468  1319.57   26.267  1293.05   31.625  1378.54   47.162  611.130   7.4770  630.849   10.802 -19.71857 13.13704 
1 1 1   -9   23    3 o  605.731   5.2894  1269.98   22.175  1254.25   30.980  1286.51   31.755  601.906   7.4366  609.594   7.5266 -7.687866 10.58076 
1 1 1   -9   23    4 o  1132.69   8.1348  4441.78   63.772  4225.62   85.657  4710.60   95.524  1104.58   11.204  1166.19   11.835 -61.60974 16.29738 
1 1 1   -9   23    5 o  932.245   13.852  3010.73   89.378  3010.73   89.378   0.0000   0.0000  932.245   13.852  ?   ?  0.000000 13.85234 
1 1 1   -9   23    6 o  1003.09   7.3895  3482.94   51.302  3429.86   71.351  3539.75   73.815  995.296   10.358  1011.10   10.548 -15.80872 14.78331 
1 1 1   -9   23    7 o  542.302   7.2539  1017.95   27.226  1017.95   27.226   0.0000   0.0000  542.302   7.2539  ?   ?  0.000000 7.253932 
1 1 1   -9   23    8 o  1342.14   13.324  6238.38  123.770  6238.38  123.770   0.0000   0.0000  1342.14   13.324  ?   ?  0.000000 13.32417 
1 1 1   -9   23    9 o  832.309   6.5414  2397.76   37.682  2389.65   52.814  2406.17   53.780  830.817   9.1848  833.679   9.3206 -2.861572 13.08560 
1 1 1   -9   23   11 o  253.681   12.660  222.976   22.228  222.976   22.228   0.0000   0.0000  253.681   12.660  ?   ?  0.000000 12.65981 
1 1 1   -9   23   13 o  549.326   6.4413  1044.87   24.490  1089.22   30.775  968.293   40.438  560.779   7.9292  528.511   11.055 32.26776 13.60465 
1 1 1   -9   23   14 o  613.754   8.2524  1305.47   35.055  1367.32   50.357  1247.32   48.828  627.681   11.592  599.479   11.769 28.20233 16.51865 
1 1 1   -9   23   15 o  251.854   6.2154  219.759   10.834  218.059   12.599  224.585   21.226  250.824   7.2575  254.197   12.065 -3.372116 14.07959 
1 1 1   -9   23   16 o  246.900   6.2806  211.289   10.732  216.118   12.519  197.902   20.845  249.639   7.2458  238.036   12.699 11.60385 14.62063 
1 1 1   -9   23   17 o  171.008   8.3257  101.569   9.8541   95.955   11.555  116.537   18.868  165.767   10.120  181.810   15.132 -16.04297 18.20412 
1 1 1   -9   23   18 o  336.088   5.7172  391.760   13.299  389.367   15.359  398.927   26.581  334.932   6.6258  338.041   11.361 -3.109009 13.15206 
1 1 1   -9   23   19 o  213.532   6.9896  158.462   10.330  154.981   11.741  170.390   21.733  211.029   8.0386  219.474   14.387 -8.445038 16.48068 
1 1 1   -9   23   20 o  136.706   11.692   66.135   10.956   66.135   10.956   0.0000   0.0000  136.706   11.692  ?   ?  0.000000 11.69214 
1 1 1   -9   25    1 o  290.462   5.4522  292.026   10.961  290.870   13.330  294.439   19.260  289.872   6.6442  291.595   9.5431 -1.722870 11.62827 
1 1 1   -9   25    2 o  1150.42   8.2285  4582.04   65.517  4498.95   90.941  4671.69   94.470  1139.69   11.529  1161.34   11.753 -21.65295 16.46386 
1 1 1   -9   25    3 o  242.999   5.0824  204.374   8.5476  192.321   12.023  216.694   12.155  235.704   7.3697  250.198   7.0193 -14.49403 10.17760 
1 1 1   -9   25    5 o  259.581   5.0347  233.209   9.0453  232.269   12.720  234.172   12.866  259.041   7.0946  260.099   7.1469 -1.058685 10.07031 
1 1 1   -9   25    6 o  187.617   6.0309  121.832   7.8313  116.745   10.741  127.605   11.442  183.644   8.4507  191.995   8.6109 -8.350571 12.06491 
1 1 1   -9   25    7 o  1138.15   8.1960  4484.02   64.562  4443.49   90.317  4526.37   92.326  1132.84   11.519  1143.35   11.667 -10.50806 16.39560 
1 1 1   -9   25    8 o  353.400   10.081  432.390   24.657   0.0000   0.0000  432.390   24.657  ?   ?   353.400   10.081 0.000000 10.08077 
1 1 1   -9   25   10 o  224.343   6.5891  174.220   10.231  180.016   13.931  167.436   15.073  228.017   8.8276  219.891   9.9044 8.126694 13.26744 
1 1 1   -9   25   11 o  239.086   9.9630  197.980   16.486   0.0000   0.0000  197.980   16.486  ?   ?   239.086   9.9630 0.000000 9.963029 
1 1 1   -9   25   13 f  521.615   5.6595  942.050   20.432  934.069   27.924  951.244   29.973  519.281   7.7697  523.999   8.2647 -4.718323 11.34348 
1 1 1   -9   25   14 o  289.692   8.6750  290.942   17.393  290.942   17.393   0.0000   0.0000  289.692   8.6750  ?   ?  0.000000 8.674971 
1 1 1   -9   25   15 o  315.793   6.4024  345.570   13.993  357.876   17.186  321.366   24.103  321.268   7.7292  304.085   11.453 17.18359 13.81675 
1 1 1   -9   25   16 o  145.779   10.193   74.230   10.219   78.138   12.707   67.073   17.195  149.262   12.413  136.997   18.617 12.26424 22.37598 
1 1 1   -9   25   17 o   44.700   17.838   3.6396   8.3183   14.940   9.5786 -31.0293   16.777   64.766   19.652   38.707   18.918 26.05831 27.27736 
1 1 1   -9   25   18 o  258.876   6.7782  232.687   12.145  232.580   14.227  232.976   23.316  258.656   7.9471  257.543   13.124 1.112305 15.34271 
1 1 1   -9   25   19 o   38.952   16.756  -0.3687   8.1575   7.2197   9.0958 -31.5610   18.441   51.047   19.100   41.141   20.047 9.905338 27.68947 
1 1 1   -9   25   20 o  157.087   9.1267   86.539   9.8799   80.291   11.256  107.512   20.621  150.872   10.852  172.281   17.539 -21.40964 20.62450 
1 1 1   -9   27    3 o  117.939   8.3503   48.395   6.7721   42.741   9.4010   54.493   9.7635  110.380   12.528  124.923   11.419 -14.54297 16.95080 
1 1 1   -9   27    4 o  931.361   7.0015  3002.52   45.132  3054.13   64.950  2954.33   62.760  939.216   9.9917  923.751   9.8164 15.46490 14.00693 
1 1 1   -9   27    5 o  1436.48   9.9853  7143.93   99.274  7000.42  137.325  7301.04  143.681  1421.68   13.956  1451.85   14.299 -30.17358 19.98088 
1 1 1   -9   27    7 o  278.322   5.9622  268.108   11.485  278.618   14.155  247.854   19.649  283.716   7.2085  267.559   10.611 16.15674 12.82761 
1 1 1   -9   27    8 o  138.452   8.6515   66.619   8.2487   57.441   10.876   79.049   12.657  128.189   12.414  150.585   12.250 -22.39641 17.44051 
1 1 1   -9   27    9 o  252.732   9.0149  221.147   15.769   0.0000   0.0000  221.147   15.769  ?   ?   252.732   9.0149 0.000000 9.014887 
1 1 1   -9   27   10 o  732.708   7.0511  1858.53   35.757  1914.63   62.223  1830.87   43.693  743.416   12.093  727.165   8.6816 16.25104 14.88673 
1 1 1   -9   27   11 o  1138.97   8.2970  4492.12   65.405  4603.34   94.319  4389.10   90.775  1152.60   11.823  1125.48   11.653 27.11963 16.60112 
1 1 1   -9   27   12 o  236.402   6.8261  193.512   11.169  195.983   15.043  190.477   16.672  237.850   9.1382  234.452   10.274 3.398010 13.75010 
1 1 1   -9   27   13 o  246.625   9.9872  210.883   17.047  209.122   20.622  214.683   30.296  245.482   12.138  247.703   17.790 -2.220047 21.53640 
1 1 1   -9   27   14 o  424.788   5.2463  624.904   15.424  634.229   17.746  596.097   31.190  427.898   5.9922  414.378   10.875 13.52036 12.41691 
1 1 1   -9   27   15 o  119.791   16.384   51.039   13.228   51.039   13.228   0.0000   0.0000  119.791   16.384  ?   ?  0.000000 16.38376 
1 1 1   -9   27   16 o   86.257   14.152   26.650   8.1554   27.105   9.4689   25.341   16.050   86.576   16.403   83.921   25.432 2.655098 30.26277 
1 1 1   -9   27   17 o   57.884   18.348   11.667   8.2472   12.901   9.4855   7.8439   16.695   61.091   19.710   63.216   25.256 -2.124092 32.03680 
1 1 1   -9   27   18 o  177.677   7.9388  109.778   9.7625  112.709   11.063   99.463   20.754  179.924   8.8838  166.473   18.316 13.45116 20.35695 
1 1 1   -9   27   19 o  102.218   13.832   37.463   9.5342   37.612   10.730   36.902   20.779  101.927   15.716   98.104   28.749 3.823517 32.76417 
1 1 1   -9   27   20 o  125.041   10.780   55.315   9.2377   60.882   10.452   35.444   19.746  130.993   11.650   95.135   28.067 35.85804 30.38864 
1 1 1   -9   29    1 o  481.327   4.9213  801.829   16.394  777.942   22.594  828.391   23.826  474.075   6.8860  489.203   7.0369 -15.12778 9.845518 
1 1 1   -9   29    2 f  1590.00   15.460  8758.88  170.132  8758.88  170.132   0.0000   0.0000  1590.00   15.460  ?   ?  0.000000 15.46016 
1 1 1   -9   29    3 o  1047.17   8.8331  3796.13   64.019  3632.68  105.827  3890.47   80.399  1024.04   14.932  1060.00   10.959 -35.96387 18.52158 
1 1 1   -9   29    6 o  632.927   6.3735  1386.53   27.920  1334.63   46.199  1416.39   35.043  620.871   10.751  639.675   7.9152 -18.80444 13.35055 
1 1 1   -9   29    7 o  703.460   8.2789  1713.03   40.308  1713.03   40.308   0.0000   0.0000  703.460   8.2789  ?   ?  0.000000 8.278924 
1 1 1   -9   29    8 o   86.792   13.558   26.719   7.8778   27.078   10.527   26.263   11.876   86.766   18.115   85.314   20.391 1.452667 27.27524 
1 1 1   -9   29    9 o  493.095   5.3561  841.575   18.279  831.911   25.402  851.953   26.324  490.210   7.4870  496.075   7.6670 -5.865082 10.71629 
1 1 1   -9   29   10 o  394.460   5.3142  538.586   14.508  552.666   20.053  523.122   21.016  399.542   7.2519  388.703   7.8119 10.83936 10.65905 
1 1 1   -9   29   11 o  219.546   10.507  166.998   15.966   0.0000   0.0000  166.998   15.966  ?   ?   219.546   10.507 0.000000 10.50731 
1 1 1   -9   29   12 o  780.985   6.4324  2112.05   34.769  2105.48   48.410  2119.05   49.969  779.538   8.9727  782.018   9.2322 -2.480103 12.87411 
1 1 1   -9   29   13 o  257.085   6.9600  228.961   12.384  236.505   15.205  214.098   21.344  261.222   8.4103  247.999   12.475 13.22313 15.04502 
1 1 1   -9   29   14 o  212.379   7.2723  156.336   10.690  143.532   14.261  172.755   16.149  203.346   10.133  223.066   10.460 -19.71965 14.56353 
1 1 1   -9   29   15 o  143.521   14.306   72.550   14.021   34.117   22.836   95.805   17.764   97.618   30.474  164.854   15.761 -67.23581 34.30807 
1 1 1   -9   29   16 o  174.252   7.5645  105.381   9.1229  109.277   10.520   93.561   18.323  177.372   8.5691  162.504   16.521 14.86777 18.61105 
1 1 1   -9   29   17 o  158.751   8.3007   87.838   9.0886   84.130   10.199  102.146   20.033  155.175   9.5423  169.332   17.338 -14.15692 19.79047 
1 1 1   -9   29   18 o  128.961   10.579   58.461   9.3588   58.461   9.3588   0.0000   0.0000  128.961   10.579  ?   ?  0.000000 10.57857 
1 1 1   -9   29   19 o   93.542   15.162   31.741   9.4802   28.500   10.755   43.034   20.074   87.706   18.309  105.516   27.285 -17.80970 32.85898 
1 1 1   -9   31    1 o  1106.91   8.0062  4241.25   61.335  4098.52   83.756  4406.30   90.070  1087.98   11.123  1128.06   11.536 -40.08679 16.02526 
1 1 1   -9   31    2 o  951.564   7.1203  3134.14   46.893  3078.29   65.124  3194.28   67.578  942.947   9.9788  960.540   10.165 -17.59265 14.24453 
1 1 1   -9   31    3 o  722.806   6.8746  1808.32   34.391  1754.49   40.932  1937.56   63.421  711.933   8.3071  748.027   12.250 -36.09399 14.80107 
1 1 1   -9   31    5 o  695.842   5.8343  1675.83   28.098  1654.35   39.202  1698.53   40.293  691.319   8.1933  700.486   8.3111 -9.167542 11.67063 
1 1 1   -9   31    6 o  297.932   5.8784  307.220   12.121  337.879   15.398  257.268   19.655  312.433   7.1210  272.591   10.418 39.84171 12.61905 
1 1 1   -9   31    7 o  1213.77   8.6744  5100.26   72.870  5000.06  100.847  5209.74  105.414  1201.56   12.127  1226.47   12.418 -24.91162 17.35715 
1 1 1   -9   31    8 o  525.977   5.3046  957.543   19.311  936.451   26.679  980.753   27.986  520.107   7.4113  532.263   7.5970 -12.15564 10.61334 
1 1 1   -9   31    9 f  234.834   6.4276  190.900   10.447  181.554   13.776  203.550   16.026  228.983   8.6925  242.443   9.5509 -13.46034 12.91435 
1 1 1   -9   31   10 o  886.593   9.6813  2722.58   59.407  2722.58   59.407   0.0000   0.0000  886.593   9.6813  ?   ?  0.000000 9.681314 
1 1 1   -9   31   12 o  365.957   12.128  464.683   30.718   0.0000   0.0000  464.683   30.718  ?   ?   365.957   12.128 0.000000 12.12782 
1 1 1   -9   31   13 o  155.204   8.9319   83.803   9.5540   81.378   12.587   87.098   14.675  152.604   12.014  157.705   13.577 -5.101578 18.12978 
1 1 1   -9   31   14 o  174.462   8.2732  105.570   9.9897  113.318   13.509   96.219   14.840  180.278   10.878  165.773   13.040 14.50484 16.98092 
1 1 1   -9   31   15 o  269.832   5.6549  252.309   10.561  247.433   12.006  268.976   22.200  267.154   6.4934  277.997   11.538 -10.84335 13.23963 
1 1 1   -9   31   16 o   90.682   20.511   30.226   12.571   30.226   12.571   0.0000   0.0000   90.682   20.511  ?   ?  0.000000 20.51051 
1 1 1   -9   31   17 o  124.955   9.9423   54.742   8.5273   54.996   9.5149   53.707   19.221  125.045   11.110  120.276   23.931 4.768799 26.38444 
1 1 1   -9   31   18 o  179.816   7.4476  112.439   9.2688  108.104   10.263  131.610   21.584  176.197   8.4161  192.109   16.390 -15.91168 18.42444 
1 1 1   -9   31   19 o   56.263   19.006   10.782   8.7887   13.874   9.7792  -2.2044   20.041   62.360   20.002   58.552   25.707 3.807850 32.57209 
1 1 1   -9   33    1 o  1149.50   8.2657  4573.94   65.761  4480.88   91.003  4675.64   95.135  1137.60   11.558  1162.04   11.829 -24.44434 16.53827 
1 1 1   -9   33    2 o  979.347   8.4206  3320.07   57.076  3200.49   95.348  3386.85   71.253  961.283   14.331  989.071   10.409 -27.78845 17.71228 
1 1 1   -9   33    3 o  815.381   6.4245  2301.14   36.256  2291.00   50.987  2311.52   51.564  813.513   9.0556  817.147   9.1175 -3.633484 12.85034 
1 1 1   -9   33    4 o  427.612   7.1325  632.909   21.109  573.659   27.622  716.097   32.729  407.065   9.8042  454.791   10.398 -47.72617 14.29123 
1 1 1   -9   33    5 o  311.489   7.2496  335.844   15.629  335.844   15.629   0.0000   0.0000  311.489   7.2496  ?   ?  0.000000 7.249639 
1 1 1   -9   33    6 o   78.984   20.257   22.459   11.127   0.0000   0.0000   22.459   11.127  ?   ?    78.984   20.257 0.000000 20.25669 
1 1 1   -9   33    7 o  648.033   5.7016  1453.54   25.572  1411.95   35.221  1499.91   37.189  638.634   7.9684  658.218   8.1633 -19.58466 11.40772 
1 1 1   -9   33    8 o  597.620   6.4222  1236.31   26.564  1218.54   44.512  1246.14   33.105  593.144   10.843  599.943   7.9727 -6.798950 13.45834 
1 1 1   -9   33   10 o  770.474   6.3299  2055.20   33.755  2051.25   46.973  2059.42   48.537  769.573   8.8191  771.085   9.0949 -1.511353 12.66858 
1 1 1   -9   33   11 o  340.701   5.5923  401.883   13.187  386.612   17.526  421.809   20.020  334.099   7.5794  348.946   8.2894 -14.84717 11.23222 
1 1 1   -9   33   12 o  153.701   11.215   82.405   11.848   82.405   11.848   0.0000   0.0000  153.701   11.215  ?   ?  0.000000 11.21536 
1 1 1   -9   33   13 o  344.549   5.5374  411.178   13.205  429.303   18.019  390.152   19.407  351.940   7.3975  335.436   8.3595 16.50421 11.16259 
1 1 1   -9   33   14 o  456.375   6.4224  721.863   20.286  734.634   33.674  714.589   25.415  459.792   10.582  453.866   8.0908 5.926086 13.32051 
1 1 1   -9   33   15 o  173.266   9.0855  104.579   10.857  114.027   13.561   87.707   18.122  180.692   10.894  157.270   16.915 23.42258 20.11956 
1 1 1   -9   33   16 o  100.787   15.020   36.374   10.157   41.696   12.277   24.824   18.085  107.582   17.057   83.802   27.232 23.78087 32.13269 
1 1 1   -9   33   17 o  185.522   11.172  120.652   14.278  120.652   14.278   0.0000   0.0000  185.522   11.172  ?   ?  0.000000 11.17187 
1 1 1   -9   33   18 o  125.933   9.9693   55.734   8.6181   50.286   9.4996   81.073   20.487  119.232   11.661  148.936   20.411 -29.70428 23.50731 
1 1 1   -9   33   19 o   85.143   18.437   27.061   10.550   26.010   12.426   29.776   19.972   82.828   21.491   88.485   28.605 -5.656639 35.77867 
1 1 1   -9   35    1 o  1209.35   8.6462  5062.73   72.369  4956.29  100.123  5179.17  104.721  1196.39   12.092  1222.97   12.372 -26.58691 17.29963 
1 1 1   -9   35    2 o  1520.44   10.525  8003.77  110.758  7857.12  153.518  8162.97  159.952  1506.11   14.727  1535.11   15.055 -29.00195 21.06038 
1 1 1   -9   35    3 o  662.573   5.7135  1519.42   26.201  1501.52   36.592  1538.25   37.533  658.611   8.0275  666.617   8.1350 -8.005737 11.42886 
1 1 1   -9   35    4 o  422.026   5.0916  616.422   14.872  642.412   21.030  590.424   21.034  430.806   7.0532  413.002   7.3585 17.80392 10.19290 
1 1 1   -9   35    5 f  519.503   7.3430  934.218   26.402  934.218   26.402   0.0000   0.0000  519.503   7.3430  ?   ?  0.000000 7.342997 
1 1 1   -9   35    6 o  599.639   7.8865  1244.78   32.730   0.0000   0.0000  1244.78   32.730  ?   ?   599.639   7.8865 0.000000 7.886513 
1 1 1   -9   35    7 o  470.765   5.2703  767.081   17.172  753.583   23.721  781.942   24.890  466.562   7.3460  475.254   7.5670 -8.692261 10.54621 
1 1 1   -9   35    8 o  811.978   6.5045  2282.38   36.554  2255.69   50.988  2310.61   52.432  807.079   9.1280  816.837   9.2744 -9.757568 13.01286 
1 1 1   -9   35    9 o  261.606   6.1741  236.924   11.179  227.407   14.768  249.696   17.107  256.257   8.3265  268.501   9.2058 -12.24396 12.41281 
1 1 1   -9   35   10 o  461.494   5.3861  737.301   17.204  716.291   23.274  762.606   25.542  454.793   7.3942  469.244   7.8647 -14.45053 10.79479 
1 1 1   -9   35   11 f  601.750   6.5153  1254.06   27.135  1246.75   32.402  1271.22   49.651  599.892   7.8040  605.307   11.851 -5.414978 14.19012 
1 1 1   -9   35   12 o  214.913   6.7981  160.019   10.112  166.838   13.432  151.099   15.362  219.356   8.8473  208.388   10.687 10.96799 13.87417 
1 1 1   -9   35   13 f  282.459   7.1013  276.546   13.883  276.244   22.485  276.732   17.648  281.930   11.523  282.412   9.0289 -0.4826050 14.63931 
1 1 1   -9   35   14 o  264.494   9.1988  242.937   16.839   0.0000   0.0000  242.937   16.839  ?   ?   264.494   9.1988 0.000000 9.198797 
1 1 1   -9   35   15 f  280.294   6.0739  272.400   11.783  262.082   15.438  286.798   18.237  274.727   8.1193  287.253   9.1728 -12.52670 12.25005 
1 1 1   -9   35   16 o  208.975   6.1925  151.505   8.9565  156.151   9.9712  132.098   20.379  212.102   6.7925  193.311   15.358 18.79124 16.79300 
1 1 1   -9   35   17 o  136.642   11.627   65.781   10.891   55.821   12.225  104.098   23.977  125.176   14.372  169.304   20.907 -44.12790 25.36988 
1 1 1   -9   35   18 o   96.534   12.455   33.277   8.1277   29.078   8.9028   54.293   19.916   89.535   14.890  119.583   24.873 -30.04793 28.98923 
1 1 1   -9   37    1 o  1279.88   12.816  5673.08  113.530   0.0000   0.0000  5673.08  113.530  ?   ?   1279.88   12.816 0.000000 12.81638 
1 1 1   -9   37    2 o  534.905   5.2757  990.283   19.531  963.380   27.016  1019.74   28.269  527.554   7.3991  542.764   7.5254 -15.20959 10.55360 
1 1 1   -9   37    3 o  1015.15   7.5327  3567.26   52.925  3511.64   73.603  3626.80   76.155  1007.06   10.560  1023.43   10.751 -16.36938 15.07006 
1 1 1   -9   37    4 o  806.166   7.3833  2249.73   41.195  2255.67   50.593  2238.05   70.964  807.166   9.0563  803.825   12.756 3.341431 15.64356 
1 1 1   -9   37    5 o  412.606   5.2717  589.243   15.054  613.976   21.407  565.046   21.175  421.142   7.3444  404.008   7.5726 17.13376 10.54920 
1 1 1   -9   37    6 o  512.914   11.193  911.219   39.736   0.0000   0.0000  911.219   39.736  ?   ?   512.914   11.193 0.000000 11.19348 
1 1 1   -9   37    7 o  593.015   6.4354  1217.38   26.413  1214.63   44.635  1218.85   32.766  592.161   10.891  593.321   7.9792 -1.160034 13.50092 
1 1 1   -9   37    8 o  174.669   8.1398  105.647   9.8403  106.210   13.241  104.952   14.707  174.742   11.004  173.587   12.322 1.155899 16.52012 
1 1 1   -9   37    9 o  719.783   6.1109  1793.69   30.443  1736.24   41.385  1861.43   44.940  708.017   8.4455  733.066   8.8575 -25.04877 12.23854 
1 1 1   -9   37   10 o  276.199   8.8341  264.330   16.887  256.293   22.060  275.707   26.247  271.835   11.725  281.843   13.455 -10.00772 17.84719 
1 1 1   -9   37   11 o  312.400   5.6948  337.973   12.313  341.908   16.732  333.325   18.186  314.120   7.6960  310.109   8.4731 4.010956 11.44648 
1 1 1   -9   37   12 o  162.448   8.2001   91.730   9.1898   90.194   11.978   93.929   14.328  160.810   10.825  163.881   12.732 -3.070648 16.71202 
1 1 1   -9   37   13 o  165.708   8.0674   95.250   9.2523   95.246   12.403   95.255   13.893  165.186   10.910  165.009   12.253 0.1769867 16.40594 
1 1 1   -9   37   14 f  185.464   7.6236  119.350   9.7859  129.803   13.105  106.173   14.713  192.996   9.8434  174.132   12.287 18.86354 15.74364 
1 1 1   -9   37   15 o  392.784   5.4563  534.805   14.833  551.383   20.348  516.005   21.669  398.544   7.3766  385.419   8.1231 13.12524 10.97267 
1 1 1   -9   37   16 f  123.227   9.2325   53.160   7.8169   54.024   8.4874   48.327   20.066  124.114   9.9644  113.341   26.117 10.77298 27.95323 
1 1 1   -9   37   17 o  209.255   6.5063  152.099   9.4230  148.053   10.304  172.781   23.295  206.365   7.2140  220.653   15.349 -14.28842 16.96005 
1 1 1   -9   37   18 f   43.568   19.868  -7.4212   13.262  -9.8146   18.876  -5.0878   18.638   51.906   23.683   54.519   24.319 -2.612900 33.94543 
1 1 1   -9   39    1 o  188.039   6.8813  122.393   8.9556  102.203   12.027  147.523   13.418  171.502   10.178  206.419   9.3918 -34.91663 13.84880 
1 1 1   -9   39    2 f  589.738   6.3475  1203.83   25.908  1168.29   43.469  1223.41   32.265  580.838   10.813  594.478   7.8420 -13.64008 13.35729 
1 1 1   -9   39    3 o  418.174   5.1884  605.247   15.016  576.534   20.440  638.917   22.134  408.102   7.2365  429.611   7.4440 -21.50824 10.38174 
1 1 1   -9   39    4 o  820.922   6.5459  2332.78   37.192  2250.92   50.803  2427.32   54.596  806.282   9.1039  837.264   9.4215 -30.98175 13.10135 
1 1 1   -9   39    5 o  656.690   6.6563  1492.82   30.253  1469.73   36.740  1541.46   53.320  651.539   8.1473  667.084   11.549 -15.54602 14.13329 
1 1 1   -9   39    6 o  720.272   7.0444  1796.05   35.117  1754.63   58.604  1819.25   43.864  711.651   11.898  724.830   8.7438 -13.17834 14.76554 
1 1 1   -9   39    7 o  524.333   6.2996  951.758   22.861  944.555   27.517  967.805   41.074  522.300   7.6122  528.517   11.229 -6.216919 13.56569 
1 1 1   -9   39    8 o   54.088   18.961   8.9514   8.7723   22.247   11.879  -6.9947   13.010   78.678   21.295   44.300   19.993 34.37775 29.20937 
1 1 1   -9   39    9 o  535.558   5.4878  993.023   20.342  955.791   27.392  1038.80   30.373  525.316   7.5341  547.621   8.0136 -22.30518 10.99906 
1 1 1   -9   39   10 f  508.294   6.2247  894.782   21.898  890.533   26.299  904.390   39.545  506.997   7.4947  510.571   11.191 -3.574036 13.46852 
1 1 1   -9   39   11 o  213.376   7.0009  157.759   10.339  161.043   13.699  153.413   15.760  215.486   9.1851  209.946   10.883 5.539307 14.24118 
1 1 1   -9   39   12 o  365.091   6.4422  461.896   16.279  473.561   26.147  454.512   20.802  369.289   10.230  361.998   8.3027 7.290741 13.17522 
1 1 1   -9   39   13 o  311.110   5.6230  335.383   12.108  338.295   16.299  331.798   18.086  312.295   7.5406  309.190   8.4518 3.105743 11.32670 
1 1 1   -9   39   14 o   78.481   16.167   22.371   8.4893   26.778   11.274   16.599   12.902   85.490   19.487   69.738   23.018 15.75219 30.15866 
1 1 1   -9   39   15 o  222.727   7.7813  172.328   11.995  181.611   13.787  143.415   24.331  228.536   8.7163  200.866   17.682 27.67072 19.71339 
1 1 1   -9   39   17 o  229.726   6.1795  183.304   9.8252  179.647   10.794  200.976   23.728  227.326   6.8606  238.175   14.463 -10.84944 16.00737 
1 1 1   -9   39   18 o   66.739   16.856   16.565   7.7877   23.868   8.4862 -22.4000   19.602   80.508   15.794   46.430   22.117 34.07820 27.17750 
1 1 1   -9   41    2 o  805.694   6.4716  2247.05   36.088  2201.10   49.947  2297.23   52.199  797.304   9.0513  814.518   9.2594 -17.21417 12.94847 
1 1 1   -9   41    3 f  469.834   7.3959  764.201   24.050  780.976   34.208  747.805   33.819  474.870   10.408  464.672   10.516 10.19791 14.79561 
1 1 1   -9   41    4 o  908.347   7.0144  2856.39   44.098  2775.47   60.506  2948.06   64.405  895.228   9.7654  922.620   10.086 -27.39178 14.03887 
1 1 1   -9   41    5 o  1051.81   7.7998  3830.43   56.780  3688.21   77.281  3997.25   83.701  1031.85   10.821  1074.17   11.259 -42.31580 15.61588 
1 1 1   -9   41    6 o  631.858   5.7594  1382.06   25.187  1391.14   35.560  1372.92   35.680  633.830   8.1060  629.661   8.1874 4.168030 11.52130 
1 1 1   -9   41    7 o  755.098   7.2780  1974.34   38.036  1971.88   46.207  1979.51   66.987  754.516   8.8483  755.598   12.809 -1.082520 15.56820 
1 1 1   -9   41    8 o  377.677   6.2977  493.904   16.462  494.207   19.572  493.171   30.436  377.748   7.4860  377.130   11.660 0.6177673 13.85663 
1 1 1   -9   41    9 o  403.479   6.2669  563.785   17.500  569.037   21.240  552.683   30.882  405.284   7.5722  399.160   11.178 6.123810 13.50160 
1 1 1   -9   41   10 o  384.923   5.3928  513.102   14.367  518.644   19.409  506.384   21.368  386.886   7.2485  382.227   8.0773 4.658905 10.85278 
1 1 1   -9   41   11 o  270.499   6.1224  253.498   11.462  257.691   15.230  248.018   17.408  272.613   8.0717  267.353   9.4077 5.260498 12.39585 
1 1 1   -9   41   12 o  362.549   5.4462  455.372   13.666  462.395   18.535  447.007   20.228  365.168   7.3338  358.957   8.1422 6.212067 10.95810 
1 1 1   -9   41   13 o  257.232   6.0931  229.373   10.848  223.626   14.412  236.886   16.477  253.812   8.2040  261.133   9.1166 -7.321014 12.26457 
1 1 1   -9   41   14 o   46.261   18.012   4.7423   8.2992  -1.3891   11.035   12.726   12.592   44.529   19.321   63.857   22.686 -19.32764 29.79834 
1 1 1   -9   41   15 f  209.558   6.7871  152.458   9.8439  153.061   13.007  151.650   15.061  209.722   8.9607  208.282   10.481 1.440048 13.78960 
1 1 1   -9   41   16 o   69.912   18.102   18.030   8.8277   27.013   11.526   5.2830   13.730   85.289   19.891   55.889   22.700 29.40043 30.18176 
1 1 1   -9   41   17 o   52.179   17.714   9.1274   7.6348   12.012   8.3161  -6.3463   19.260   58.144   18.423   54.750   24.549 3.394680 30.69345 
1 1 1   -9   43    1 o  611.767   5.6688  1295.47   24.002  1248.61   32.833  1349.27   35.176  600.528   7.8996  624.256   8.1417 -23.72784 11.34415 
1 1 1   -9   43    2 o  473.495   5.3559  776.031   17.552  756.280   23.993  798.768   25.744  467.381   7.4171  480.321   7.7439 -12.93997 10.72294 
1 1 1   -9   43    3 o  814.460   6.5310  2296.39   36.815  2256.53   51.136  2339.28   53.047  807.219   9.1528  821.875   9.3255 -14.65686 13.06674 
1 1 1   -9   43    4 o  464.525   6.2098  747.000   19.965  746.829   33.507  747.093   24.860  464.321   10.426  464.508   7.7326 -0.1875000 12.98093 
1 1 1   -9   43    5 o  373.975   6.3181  484.187   16.353  443.805   26.821  508.083   20.632  357.898   10.828  383.052   7.7824 -25.15442 13.33425 
1 1 1   -9   43    6 o  220.286   6.9331  168.024   10.570  164.708   14.432  171.861   15.525  218.044   9.5634  222.715   10.072 -4.671204 13.88881 
1 1 1   -9   43    7 o  378.847   6.2658  496.967   16.429  481.171   27.058  506.191   20.677  372.581   10.493  382.284   7.8149 -9.703400 13.08350 
1 1 1   -9   43    8 o  375.248   6.3354  487.652   16.454  479.610   19.273  509.268   31.597  372.086   7.4841  383.110   11.916 -11.02405 14.07168 
1 1 1   -9   43    9 o  212.136   7.9271  155.961   11.639  146.966   13.571  180.976   22.631  205.861   9.5249  227.678   14.436 -21.81715 17.29548 
1 1 1   -9   43   10 o  699.284   6.0685  1694.00   29.371  1666.32   40.320  1725.29   42.870  693.211   8.4038  705.305   8.7822 -12.09418 12.15531 
1 1 1   -9   43   11 o  480.649   5.4353  800.304   18.081  797.134   24.850  803.870   26.358  479.473   7.4884  481.440   7.9103 -1.966614 10.89259 
1 1 1   -9   43   12 o  273.578   5.9066  259.392   11.184  264.821   14.707  251.950   17.221  276.282   7.6913  269.334   9.2385 6.948334 12.02110 
1 1 1   -9   43   13 o  250.457   6.1066  217.498   10.585  213.408   13.984  222.986   16.199  247.903   8.1503  253.281   9.2410 -5.377762 12.32165 
1 1 1   -9   43   14 o  126.607   11.759   56.425   10.186   63.993   11.609   31.102   21.235  134.739   12.595   92.601   29.450 42.13812 32.03049 
1 1 1   -9   43   15 o   38.595   16.897  -1.7335   8.6049   11.624   11.067 -22.1563   13.684   60.348   21.286   36.276   17.582 24.07125 27.60852 
1 1 1   -9   43   16 o  172.749   13.658  105.707   16.196  105.707   16.196   0.0000   0.0000  172.749   13.658  ?   ?  0.000000 13.65752 
1 1 1   -9   43   17 f  143.725   8.4981   72.351   8.4158   69.079   9.1287   90.878   21.723  140.224   9.4614  157.025   20.476 -16.80089 22.55587 
1 1 1   -9   45    1 o  444.921   5.3121  685.217   16.358  649.498   22.104  728.466   24.322  433.115   7.3737  458.681   7.6616 -25.56522 10.63350 
1 1 1   -9   45    2 o  344.422   5.5932  410.639   13.333  389.423   18.093  435.852   19.724  335.358   7.7952  354.780   8.0325 -19.42206 11.19314 
1 1 1   -9   45    3 o   63.434   18.836   14.150   8.8707   4.9084   11.973   25.394   13.207   53.589   21.396   83.980   22.335 -30.39063 30.92958 
1 1 1   -9   45    4 o   86.373   15.764   26.698   9.0766   12.810   12.403   42.709   13.318   64.481   22.550  109.435   18.224 -44.95382 28.99364 
1 1 1   -9   45    5 o  275.144   6.2009  262.113   11.808  278.512   16.646  245.501   16.754  283.558   8.4818  266.205   9.0932 17.35275 12.43494 
1 1 1   -9   45    6 o  699.033   6.0405  1691.96   29.225  1671.15   40.605  1714.33   42.095  694.531   8.4472  703.427   8.6464 -8.896179 12.08781 
1 1 1   -9   45    7 o  115.913   11.819   47.100   9.3492   47.294   12.720   46.872   13.789  115.479   16.373  114.678   17.962 0.8009872 24.30461 
1 1 1   -9   45    8 o  425.384   5.4142  626.620   15.940  609.419   21.838  646.235   23.320  419.372   7.5239  431.832   7.8025 -12.46063 10.83916 
1 1 1   -9   45    9 o  113.603   13.033   45.453   10.062   52.899   11.740   24.849   19.530  122.501   14.105   85.662   28.321 36.83923 31.63923 
1 1 1   -9   45   10 o  319.151   7.7809  353.200   17.187  318.195   22.180  405.805   27.190  302.661   10.588  341.682   11.498 -39.02124 15.63062 
1 1 1   -9   45   11 o  118.394   11.314   49.196   9.1582   51.689   11.647   45.158   14.823  120.917   14.187  111.745   19.895 9.172157 24.43499 
1 1 1   -9   45   12 o  159.888   8.5710   89.034   9.4502   91.230   12.193   85.731   14.955  161.529   10.972  156.047   13.995 5.481293 17.78348 
1 1 1   -9   45   13 o  305.202   5.6731  322.952   11.983  338.435   16.071  303.563   17.984  312.221   7.4371  295.509   8.7932 16.71231 11.51649 
1 1 1   -9   45   14 o  179.837   7.5544  112.370   9.4028  117.526   12.418  105.443   14.395  183.405   9.8185  173.257   12.080 10.14842 15.56690 
1 1 1   -9   45   15 o  118.575   11.066   49.577   8.9765   51.242   11.630   47.125   14.118  119.839   14.304  113.687   18.585 6.152084 23.45272 
1 1 1   -9   45   16 o   54.525   18.621   9.9450   8.4377   13.947   11.183   4.6552   12.857   63.589   21.439   53.588   21.888 10.00105 30.63899 
1 1 1   -9   47    1 o  418.951   7.3771  607.791   21.391  607.791   21.391   0.0000   0.0000  418.951   7.3771  ?   ?  0.000000 7.377094 
1 1 1   -9   47    2 o  439.216   7.7722  668.082   23.626   0.0000   0.0000  668.082   23.626  ?   ?   439.216   7.7722 0.000000 7.772172 
1 1 1   -9   47    3 o  406.212   5.4119  571.247   15.215  559.589   21.025  584.066   22.047  401.970   7.5573  410.659   7.7569 -8.688629 10.82969 
1 1 1   -9   47    4 o  258.542   6.2824  231.455   11.242  219.387   15.494  244.868   16.335  251.637   8.8966  265.849   8.8781 -14.21242 12.56860 
1 1 1   -9   47    5 o  341.879   6.4597  404.768   15.285  344.488   24.509  443.137   19.554  315.167   11.236  357.653   7.8993 -42.48618 13.73463 
1 1 1   -9   47    6 o  270.345   6.1170  253.111   11.446  242.087   15.547  266.158   16.912  264.299   8.4989  277.112   8.8181 -12.81274 12.24699 
1 1 1   -9   47    7 o  501.977   7.6920  873.225   26.724  852.683   37.409  894.634   38.190  495.686   10.904  507.738   10.868 -12.05200 15.39493 
1 1 1   -9   47    8 o  385.111   5.5608  513.681   14.822  507.993   20.544  519.856   21.404  382.817   7.7539  387.241   7.9863 -4.424133 11.13123 
1 1 1   -9   47    9 o  380.629   5.4991  501.860   14.487  516.807   20.117  485.759   20.879  386.088   7.5283  374.259   8.0606 11.82819 11.02943 
1 1 1   -9   47   10 o  245.943   7.0402  209.727   11.984  204.825   14.034  222.927   23.028  242.957   8.3459  252.612   13.217 -9.654800 15.63173 
1 1 1   -9   47   12 o  207.751   7.1065  149.775   10.218  140.027   13.166  164.542   16.204  200.660   9.4800  217.362   10.771 -16.70158 14.34897 
1 1 1   -9   47   13 o  206.393   6.9704  147.885   9.9570  170.651   13.269  118.546   15.063  221.520   8.6548  183.856   11.902 37.66460 14.71569 
1 1 1   -9   47   14 o  142.475   9.0494   70.978   8.8773   76.800   11.711   63.115   13.611  147.764   11.543  133.068   15.043 14.69609 18.96108 
1 1 1   -9   47   15 o   38.032   17.125  -4.3435   9.4813  -5.0439   14.292  -3.7930   12.671   47.463   21.224   45.354   20.152 2.108376 29.26745 
1 1 1   -9   47   16 o   80.490   15.837   23.832   8.5083   16.793   11.532   32.242   12.605   68.044   21.709   92.646   20.225 -24.60221 29.67065 
1 1 1   -9   49    1 o  619.321   5.7499  1328.02   24.646  1320.28   34.408  1336.19   35.320  617.357   8.0529  621.052   8.2171 -3.694702 11.50521 
1 1 1   -9   49    2 o  941.146   7.2187  3067.85   47.021  3012.22   65.180  3128.23   67.900  932.189   10.103  949.933   10.328 -17.74420 14.44721 
1 1 1   -9   49    3 o  232.232   7.8219  186.838   12.572  203.024   21.097  177.924   15.656  241.541   12.664  226.547   9.9849 14.99367 16.12661 
1 1 1   -9   49    4 o  192.697   7.5856  128.644   10.117  137.776   13.788  117.994   14.890  199.084   10.039  184.033   11.751 15.05104 15.45572 
1 1 1   -9   49    5 o  256.675   6.2381  228.185   11.082  237.981   15.150  216.910   16.253  262.037   8.3534  250.117   9.3887 11.91972 12.56686 
1 1 1   -9   49    6 o  488.851   6.3772  827.834   21.577  783.903   36.003  852.455   26.953  475.232   10.946  495.937   7.8524 -20.70520 13.47130 
1 1 1   -9   49    7 o  155.228   10.365   84.012   11.072   75.986   13.188  103.171   20.376  147.249   13.077  171.054   17.456 -23.80551 21.81082 
1 1 1   -9   49    8 o  278.172   6.8770  268.196   13.240  274.663   15.874  253.415   23.998  281.417   8.1503  269.873   12.848 11.54376 15.21531 
1 1 1   -9   49    9 o  292.625   6.9050  296.869   13.985  303.317   22.790  292.974   17.711  295.352   11.149  290.532   8.8081 4.819397 14.20838 
1 1 1   -9   49   10 o  247.490   6.3178  212.343   10.822  208.114   14.142  218.318   16.810  244.850   8.3451  250.644   9.6903 -5.794647 12.78838 
1 1 1   -9   49   11 o  238.509   7.0653  197.378   11.663  187.495   13.685  223.610   22.296  232.324   8.5108  252.795   12.785 -20.47150 15.35837 
1 1 1   -9   49   12 o  209.953   7.8862  153.133   11.460  177.020   13.153   77.854   23.349  225.674   8.4208  145.693   23.991 79.98036 25.42564 
1 1 1   -9   49   13 o  177.913   7.6503  110.010   9.4202  134.146   12.742   80.915   13.990  196.250   9.3809  151.321   13.500 44.92906 16.43897 
1 1 1   -9   49   14 o  122.777   10.919   53.113   9.1819   76.218   12.531   26.328   13.492  146.908   12.441   83.912   22.688 62.99578 25.87535 
1 1 1   -9   49   15 o   48.647   18.385   6.3748   8.4717  -1.9673   11.122   17.907   13.076   43.732   19.177   70.752   23.164 -27.02018 30.07171 
1 1 1   -9   51    1 f  668.866   5.9412  1549.33   27.504  1541.93   38.426  1557.09   39.384  667.033   8.3234  670.285   8.4894 -3.251953 11.88904 
1 1 1   -9   51    2 f  435.111   6.1637  655.695   18.562  658.602   22.653  649.756   32.380  435.988   7.5072  432.769   10.811 3.219360 13.16156 
1 1 1   -9   51    3 o  485.910   5.4040  817.614   18.174  809.253   25.183  826.701   26.254  483.268   7.5290  488.429   7.7664 -5.161530 10.81679 
1 1 1   -9   51    4 o  242.421   6.4720  203.580   10.859  178.115   14.572  235.379   16.284  226.628   9.2902  260.539   9.0303 -33.91106 12.95588 
1 1 1   -9   51    5 o  225.563   6.7134  176.284   10.481  192.860   14.286  156.964   15.423  235.829   8.7525  212.658   10.479 23.17108 13.65320 
1 1 1   -9   51    6 o  369.749   5.5406  473.548   14.179  464.638   19.330  483.927   20.861  366.102   7.6286  373.585   8.0682 -7.483093 11.10370 
1 1 1   -9   51    7 o  208.780   8.2194  151.191   11.877  138.293   19.712  158.542   14.882  198.688   14.433  213.673   10.063 -14.98494 17.59469 
1 1 1   -9   51    8 o  364.859   6.4271  461.418   16.230  468.049   26.667  457.517   20.455  366.981   10.499  363.138   8.1385 3.842896 13.28399 
1 1 1   -9   51    9 o  107.091   12.483   40.493   9.0790   54.509   12.295   23.684   13.464  124.088   14.595   80.741   22.988 43.34708 27.22985 
1 1 1   -9   51   10 o   97.188   13.546   33.613   8.8641   29.133   11.721   39.599   13.548   89.208   19.526  104.359   19.474 -15.15166 27.57684 
1 1 1   -9   51   11 o   66.110   18.134   15.911   8.5468   9.7627   10.762   26.412   14.064   57.477   20.903   84.644   23.280 -27.16724 31.28726 
1 1 1   -9   51   12 o   40.875   17.563  -0.4050   8.9434  -9.0369   10.418   23.776   17.437   36.610   17.020   81.861   26.746 -45.25071 31.70275 
1 1 1   -9   51   13 o   72.642   16.809   19.408   8.2832   30.780   10.912   3.9435   12.725   91.641   17.846   52.900   21.711 38.74143 28.10388 
1 1 1   -9   51   14 o  127.616   11.340   57.509   9.9118   60.162   11.779   51.073   18.346  130.081   13.269  116.481   23.566 13.59925 27.04478 
1 1 1   -9   53    1 o  286.715   5.7813  284.723   11.472  296.173   15.996  272.595   16.463  292.312   7.9066  280.402   8.4830 11.91058 11.59632 
1 1 1   -9   53    2 o  211.756   8.1516  155.450   11.947  164.976   20.191  150.318   14.819  217.402   13.486  208.123   10.288 9.279221 16.96189 
1 1 1   -9   53    3 o  109.464   13.308   42.277   9.8747   43.747   11.769   38.780   18.149  110.965   15.768  102.926   25.587 8.038933 30.05525 
1 1 1   -9   53    4 o  660.107   5.9201  1509.49   27.047  1496.88   37.758  1522.79   38.762  657.009   8.3034  662.645   8.4518 -5.635803 11.84820 
1 1 1   -9   53    5 o  279.611   6.8990  270.975   13.351  264.881   15.689  286.976   25.422  276.361   8.2025  287.206   12.789 -10.84518 15.19341 
1 1 1   -9   53    6 o   66.190   18.524   15.781   8.8207   15.420   11.794   16.239   13.288   67.359   21.996   69.797   23.371 -2.438225 32.09403 
1 1 1   -9   53    7 o   64.027   18.326   14.720   8.5332   19.566   11.435   8.6301   12.819   73.697   21.249   59.035   22.542 14.66243 30.97861 
1 1 1   -9   53    8 o  301.530   6.8692  315.306   14.335  320.098   24.064  312.670   17.848  303.236   11.466  300.086   8.5936 3.149872 14.32879 
1 1 1   -9   53    9 o  310.925   5.8560  335.139   12.602  339.186   17.361  330.631   18.321  312.555   8.0253  308.515   8.5803 4.039948 11.74849 
1 1 1   -9   53   10 o  299.531   6.7747  311.320   14.045  323.707   22.099  302.926   18.191  304.859   10.473  295.175   8.9043 9.684418 13.74700 
1 1 1   -9   53   11 o  186.005   7.4886  120.187   9.6405  120.408   12.475  119.860   15.190  185.681   9.7414  184.836   11.937 0.8445587 15.40770 
1 1 1   -9   53   12 o  205.012   15.092  148.829   21.264   0.0000   0.0000  148.829   21.264  ?   ?   205.012   15.092 0.000000 15.09234 
1 1 1   -9   53   13 o   46.729   18.490   4.5249   8.8677   12.361   12.747  -2.8243   12.344   62.945   22.771   45.545   20.080 17.39986 30.35982 
1 1 1   -9   53   14 o  108.123   11.534   41.513   8.4984   30.430   11.333   55.754   12.846   90.455   18.719  124.440   15.234 -33.98497 24.13400 
1 1 1   -9   55    1 o  231.809   7.5395  186.288   12.096  158.732   20.830  200.308   14.858  213.027   14.210  240.286   8.9343 -27.25958 16.78502 
1 1 1   -9   55    2 o  296.131   5.7269  303.792   11.738  313.854   16.252  292.819   16.971  300.858   7.8047  290.553   8.4391 10.30518 11.49484 
1 1 1   -9   55    3 o  315.711   5.6640  345.302   12.376  359.664   17.296  330.233   17.717  322.057   7.7598  308.554   8.2961 13.50311 11.35957 
1 1 1   -9   55    4 o  222.747   7.6477  172.061   11.790  188.623   14.183  135.024   21.210  233.142   8.7899  196.039   15.766 37.10316 18.05061 
1 1 1   -9   55    5 o  461.260   5.4501  737.119   17.399  733.972   23.985  740.615   25.278  460.033   7.5330  462.059   7.9045 -2.025787 10.91910 
1 1 1   -9   55    6 o   86.659   14.864   26.952   8.5943   28.737   11.502   24.695   12.931   88.768   19.275   82.238   22.201 6.530151 29.40034 
1 1 1   -9   55    7 o  139.229   11.017   67.878   10.530   78.049   17.294   61.885   13.274  148.208   17.178  132.260   14.752 15.94739 22.64328 
1 1 1   -9   55    8 o  362.147   5.5707  454.594   13.963  465.637   19.516  443.013   19.985  366.249   7.6990  357.184   8.0843 9.065063 11.16378 
1 1 1   -9   55    9 o  150.412   9.4545   79.011   9.7922   93.695   13.439   62.389   14.298  163.427   11.964  132.372   15.926 31.05521 19.91923 
1 1 1   -9   55   10 o   97.448   15.558   34.186   10.140   39.451   11.722   18.527   20.215  104.551   16.765   77.865   28.598 26.68515 33.14974 
1 1 1   -9   55   11 o  211.654   7.0180  155.616   10.281  160.001   13.769  150.092   15.455  214.310   9.2826  207.047   10.822 7.263077 14.25811 
1 1 1   -9   55   12 o  175.449   7.9538  107.131   9.6584   98.645   12.964  117.716   14.479  167.521   11.247  183.004   11.490 -15.48282 16.07810 
1 1 1   -9   55   13 o   34.164   15.881  -7.6848   9.0650  -7.3893   10.714  -8.4293   17.006   38.285   17.607   49.767   22.619 -11.48203 28.66410 
1 1 1   -9   57    1 o   39.964   16.907   0.3956   8.0655  -1.2854   11.112   2.2674   11.726   44.958   19.447   49.846   20.686 -4.888382 28.39199 
1 1 1   -9   57    2 o  248.731   9.1990  214.796   15.836   0.0000   0.0000  214.796   15.836  ?   ?   248.731   9.1990 0.000000 9.198973 
1 1 1   -9   57    3 o  233.836   6.4652  189.540   10.463  195.288   14.356  183.026   15.283  237.190   8.7447  229.549   9.6194 7.641602 13.00013 
1 1 1   -9   57    4 o  282.620   8.4408  277.247   16.511  277.463   22.127  276.976   24.799  282.390   11.322  281.943   12.709 0.4470520 17.02023 
1 1 1   -9   57    5 o  335.884   6.4201  391.149   14.925  409.578   18.111  352.146   26.347  343.575   7.6162  317.961   11.972 25.61392 14.18965 
1 1 1   -9   57    6 o  151.376   10.183   80.059   10.606   75.073   16.654   83.462   13.757  145.334   16.870  154.118   13.019 -8.784378 21.30933 
1 1 1   -9   57    7 o  169.588   7.9279   99.867   9.3053  106.814   12.467   91.131   13.982  174.877   10.347  161.094   12.642 13.78227 16.33617 
1 1 1   -9   57    9 o  126.851   12.950   56.883   11.210   63.659   18.708   53.087   14.002  132.132   21.172  121.533   17.121 10.59907 27.22865 
1 1 1   -9   57   10 o  135.354   9.9384   64.217   9.2452   63.197   12.064   65.670   14.391  133.615   13.219  135.647   15.613 -2.031158 20.45759 
1 1 1   -9   57   11 o  124.445   10.777   54.533   9.1905   46.258   12.112   65.764   14.111  113.341   15.875  135.658   15.296 -22.31767 22.04527 
1 1 1   -9   57   12 o  109.802   11.870   42.802   8.8768   45.178   11.937   39.862   13.277  111.784   15.875  103.884   19.172 7.899719 24.89157 
1 1 1   -9   59    1 o   99.290   12.631   34.901   8.4834   41.072   11.564   27.709   12.483  107.179   16.086   86.929   20.987 20.25024 26.44227 
1 1 1   -9   59    2 o  198.756   8.3825  137.146   11.531  129.951   18.647  141.601   14.673  192.408   14.101  201.497   10.558 -9.089645 17.61568 
1 1 1   -9   59    3 o  132.484   11.307   61.546   10.269   57.684   12.155   71.171   19.190  127.778   13.972  140.681   20.296 -12.90276 24.64076 
1 1 1   -9   59    4 o  258.569   7.0948  231.948   12.697  233.411   15.280  228.683   22.822  259.240   8.5159  255.678   12.939 3.562042 15.49006 
1 1 1   -9   59    5 o  220.060   6.8546  168.003   10.440  192.980   14.352  139.932   15.215  235.661   8.7992  200.141   11.026 35.52043 14.10695 
1 1 1   -9   59    6 o   93.913   13.688   31.476   8.6354   38.009   11.631   23.452   12.890  102.665   16.962   80.004   22.394 22.66057 28.09247 
1 1 1   -9   59    7 o   83.833   15.399   25.431   8.6054   15.756   11.228   39.203   13.396   67.062   21.424  103.639   19.389 -36.57664 28.89519 
1 1 1   -9   59    8 o  297.016   8.5916  306.856   17.662   0.0000   0.0000  306.856   17.662  ?   ?   297.016   8.5916 0.000000 8.591595 
1 1 1   -9   59    9 o  127.976   10.857   57.595   9.5257   53.067   12.423   64.054   14.839  121.895   15.045  133.731   16.375 -11.83643 22.23672 
1 1 1   -9   59   10 o   56.750   21.018   9.3148   10.958 -14.7610   18.137   23.158   13.753   48.219   22.431   79.147   23.443 -30.92767 32.44537 
1 1 1   -9   59   11 o   80.982   17.884   24.294   9.7559   24.985   13.850   23.613   13.744   81.600   23.345   79.535   23.402 2.064995 33.05503 
1 1 1   -9   61    1 o  320.084   5.6515  355.146   12.520  349.595   17.139  361.496   18.333  317.331   7.8038  322.632   8.2100 -5.300903 11.32713 
1 1 1   -9   61    2 o   73.029   17.312   19.492   8.6169   18.618   11.748   20.510   12.678   72.070   21.740   75.444   22.545 -3.373779 31.31920 
1 1 1   -9   61    3 o  237.217   7.5937  195.359   12.467  218.634   20.562  181.826   15.678  250.374   11.866  228.597   9.9095 21.77719 15.45930 
1 1 1   -9   61    4 o   89.380   14.547   28.681   8.6896   23.606   11.764   34.776   12.891   80.110   20.972   97.467   19.786 -17.35637 28.83202 
1 1 1   -9   61    5 o  163.333   9.4821   93.143   10.673   93.512   17.079   92.906   13.671  162.503   15.368  162.649   12.234 -0.1451111 19.64280 
1 1 1   -9   61    6 o  277.633   6.7914  267.564   13.050  270.522   15.656  260.829   23.620  278.982   8.1085  273.118   12.495 5.864136 14.89573 
1 1 1   -9   61    7 o  159.340   8.6743   88.600   9.5301  106.149   12.879   67.365   14.168  174.087   10.742  137.595   15.127 36.49222 18.55283 
1 1 1   -9   61    8 o   44.387   18.578   1.5296   9.5718   3.8932   11.357  -4.2663   17.784   50.537   20.599   54.283   24.009 -3.746944 31.63472 
1 1 1   -9   61    9 o  202.060   7.2986  141.963   10.207  151.973   13.689  129.427   15.318  208.724   9.4758  191.905   11.587 16.81898 14.96846 
1 1 1   -9   61   10 o   65.668   18.679   15.870   8.8935   10.839   11.864   22.323   13.437   59.778   21.915   77.532   23.219 -17.75413 31.92840 
1 1 1   -9   63    1 o  220.387   6.5538  168.527   9.9967  163.915   13.412  174.291   14.995  217.105   8.9257  223.774   9.6820 -6.669678 13.16850 
1 1 1   -9   63    2 o   85.182   20.935   26.797   12.255   37.522   15.453   8.6195   20.118  100.616   22.727   68.317   27.572 32.29868 35.73166 
1 1 1   -9   63    3 o   86.597   14.908   27.040   8.6127   10.954   11.626   46.603   12.821   60.180   21.750  113.862   16.772 -53.68151 27.46612 
1 1 1   -9   63    4 o  162.696   9.8804   92.541   11.073   94.098   19.261   91.773   13.533  162.362   17.412  161.589   12.190 0.7734070 21.25523 
1 1 1   -9   63    5 f  131.790   9.9252   60.867   8.9867   60.428   12.211   61.387   13.274  130.573   13.717  131.349   14.863 -0.7763519 20.22528 
1 1 1   -9   63    6 o   99.480   13.090   35.270   8.7937   48.897   11.954   19.199   12.982  116.923   15.126   73.160   22.999 43.76244 27.52753 
1 1 1   -9   63    7 o  200.369   8.1041  139.699   11.239  143.328   13.259  130.439   21.181  202.756   9.4485  191.434   16.137 11.32175 18.69941 
1 1 1   -9   63    8 o  121.007   10.806   51.614   8.9544   38.952   12.010   67.465   13.437  103.353   17.408  137.622   14.317 -34.26878 22.53914 
1 1 1   -9   63    9 o  195.258   7.5747  132.734   10.236  135.493   13.624  129.158   15.513  196.581   10.047  191.455   11.764 5.125946 15.47034 
1 1 1   -9   65    1 o   80.075   18.221   23.587   9.8710   28.829   11.436   8.2732   19.546   88.480   19.225   67.071   27.140 21.40913 33.25898 
1 1 1   -9   65    2 f   92.403   15.587   30.852   9.6135   21.548   11.532   52.049   17.406   76.468   21.101  118.849   21.970 -42.38117 30.46163 
1 1 1   -9   65    3 o  229.342   6.6603  182.627   10.572  182.790   14.651  182.449   15.270  229.092   9.2403  228.813   9.6423 0.2790833 13.35500 
1 1 1   -9   65    4 f  116.971   11.079   48.220   8.8624   48.079   12.282   48.374   12.801  115.750   15.739  115.937   16.412 -0.1867828 22.73885 
1 1 1   -9   65    5 o   46.628   18.084   5.0691   8.3407   9.1333   11.329   0.2590   12.325   57.045   21.322   48.432   20.708 8.612885 29.72309 
1 1 1   -9   65    6 o  202.844   7.1913  143.048   10.096  156.325   13.591  126.702   15.080  211.724   9.2749  189.879   11.530 21.84517 14.79722 
1 1 1   -9   65    7 o   88.421   14.363   28.268   8.4884   37.879   11.309   15.865   12.847  102.046   16.581   67.816   22.978 34.23005 28.33586 
1 1 1   -9   65    8 o  195.122   8.2770  132.750   11.178  129.915   13.221  139.854   20.929  192.455   9.9600  197.903   15.401 -5.448090 18.34106 
1 1 1   -9   67    1 o   65.555   18.834   15.684   8.9972   19.439   12.109   11.057   13.443   73.037   22.081   62.196   23.230 10.84121 32.05028 
1 1 1   -9   67    2 f  148.706   9.1689   77.359   9.3907   87.259   12.741   65.583   13.896  157.441   11.777  135.576   15.063 21.86487 19.12097 
1 1 1   -9   67    3 o   76.983   18.713   21.954   9.8730   39.029   16.244   11.950   12.433  101.857   23.518   62.140   22.487 39.71727 32.53848 
1 1 1   -9   67    4 o  135.707   9.6905   64.602   9.0419   70.288   12.218   57.718   13.444  140.934   12.661  126.829   15.647 14.10577 20.12807 
1 1 1   -9   67    5 o  175.286   9.5585  107.593   11.552  127.512   19.532   96.876   14.327  189.304   15.031  165.568   12.597 23.73601 19.61182 
1 1 1   -9   67    6 o  105.422   14.455   39.997   10.269   32.695   11.861   61.854   20.521   93.886   18.908  128.036   24.040 -34.14936 30.58496 
1 1 1   -9   69    1 o  221.934   6.8842  171.253   10.574  177.309   14.854  165.030   15.057  225.340   9.5241  217.296   10.012 8.044571 13.81830 
1 1 1   -9   69    2 o   65.797   21.869   15.129   11.639   17.849   15.451   11.561   17.696   72.347   25.176   67.298   26.274 5.048546 36.38834 
1 1 1   -9   69    3 o  185.136   7.6847  119.351   9.8468  125.363   13.264  111.971   14.697  189.037   10.176  178.148   11.989 10.88878 15.72540 
1 1 1   -8    0    1 o  2176.63   20.622 16404.63  310.603 16404.63  310.603 16404.63  310.603  2176.63   20.622  2176.63   20.622 0.000000 0.000000 
1 1 1   -8    0    2 f  905.485   9.4785  2838.46   59.387  2838.46   59.387  2838.46   59.387  905.485   9.4785  905.485   9.4785 0.000000 0.000000 
1 1 1   -8    0    3 o  1462.89   14.260  7409.18  144.347  7409.18  144.347  7409.18  144.347  1462.89   14.260  1462.89   14.260 0.000000 0.000000 
1 1 1   -8    0    4 o  1116.68   15.970  4319.02  123.374  4319.02  123.374  4319.02  123.374  1116.68   15.970  1116.68   15.970 0.000000 0.000000 
1 1 1   -8    0    5 o   25.250   16.645  -1.6006   7.4589  -1.6006   7.4589  -1.6006   7.4589   25.250   16.645   25.250   16.645 0.000000 0.000000 
1 1 1   -8    0    6 o  200.531   7.9328  139.834   10.971  139.834   10.971  139.834   10.971  200.531   7.9328  200.531   7.9328 0.000000 0.000000 
1 1 1   -8    0    8 o  122.701   11.599   53.512   9.6478   53.512   9.6478   53.512   9.6478  122.701   11.599  122.701   11.599 0.000000 0.000000 
1 1 1   -8    0    9 o  659.323   11.482  1506.34   52.361  1506.34   52.361  1506.34   52.361  659.323   11.482  659.323   11.482 0.000000 0.000000 
1 1 1   -8    0   11 f  1596.59   22.028  8839.02  243.313  8839.02  243.313  8839.02  243.313  1596.59   22.028  1596.59   22.028 0.000000 0.000000 
1 1 1   -8    0   12 f  637.446   7.9904  1407.18   35.240  1407.18   35.240  1407.18   35.240  637.446   7.9904  637.446   7.9904 0.000000 0.000000 
1 1 1   -8    0   13 f  479.319   7.2857  795.854   24.157  795.854   24.157  795.854   24.157  479.319   7.2857  479.319   7.2857 0.000000 0.000000 
1 1 1   -8    0   14 o  258.207   8.4087  231.597   14.991  231.597   14.991  231.597   14.991  258.207   8.4087  258.207   8.4087 0.000000 0.000000 
1 1 1   -8    0   15 o   67.939   25.461   21.651   11.175   21.651   11.175   21.651   11.175   67.939   25.461   67.939   25.461 0.000000 0.000000 
1 1 1   -8    0   17 o  529.263   7.5446  972.389   27.624  972.389   27.624  972.389   27.624  529.263   7.5446  529.263   7.5446 0.000000 0.000000 
1 1 1   -8    0   18 f  143.846   17.646   76.195   16.860   76.195   16.860   76.195   16.860  143.846   17.646  143.846   17.646 0.000000 0.000000 
1 1 1   -8    0   19 o  267.147   8.0349  249.330   14.826  249.330   14.826  249.330   14.826  267.147   8.0349  267.147   8.0349 0.000000 0.000000 
1 1 1   -8    0   20 o   39.245   25.193   3.1571   15.565   3.1571   15.565   3.1571   15.565   39.245   25.193   39.245   25.193 0.000000 0.000000 
1 1 1   -8    0   21 o   32.320   20.993   1.3959   11.237   1.3959   11.237   1.3959   11.237   32.320   20.993   32.320   20.993 0.000000 0.000000 
1 1 1   -8    2    1 f  1703.51   11.566 10044.62  136.369 10171.98  195.540  9924.02  190.277  1714.08   16.483  1693.07   16.238 21.00977 23.13764 
1 1 1   -8    2    2 o  882.283   6.5694  2693.98   40.115  2628.65   55.427  2765.85   58.132  871.488   9.1894  893.939   9.3957 -22.45062 13.14243 
1 1 1   -8    2    3 o  2810.11   18.673 27344.88  363.177 27344.29  513.711 27345.47  513.509  2809.17   26.422  2809.23   26.411 -0.6201172E-01 37.35841 
1 1 1   -8    2    4 o  793.508   7.0765  2179.20   38.864  2187.03   47.779  2163.90   66.810  794.909   8.6845  790.631   12.209 4.278442 14.98287 
1 1 1   -8    2    5 o  334.185   5.3321  386.508   12.333  351.073   21.017  405.118   15.231  318.468   9.5350  342.129   6.4322 -23.66125 11.50168 
1 1 1   -8    2    6 o  727.119   6.7760  1830.05   34.100  1839.02   59.168  1825.59   41.727  728.723   11.731  726.187   8.3021 2.535461 14.37186 
1 1 1   -8    2    8 o  1074.77   11.022  4000.95   81.989  4000.95   81.989   0.0000   0.0000  1074.77   11.022  ?   ?  0.000000 11.02208 
1 1 1   -8    2    9 o  711.204   11.886  1751.71   58.504  1751.71   58.504   0.0000   0.0000  711.204   11.886  ?   ?  0.000000 11.88551 
1 1 1   -8    2   10 o  1318.90   9.2715  6021.83   84.633  6019.36   97.682  6029.27  169.492  1318.55   10.704  1318.98   18.567 -0.4344482 21.43119 
1 1 1   -8    2   11 o  629.874   11.122  1373.66   48.484   0.0000   0.0000  1373.66   48.484  ?   ?   629.874   11.122 0.000000 11.12151 
1 1 1   -8    2   12 o  1108.51   9.2820  4254.24   71.213  4257.96   87.288  4246.83  123.145  1108.87   11.374  1107.05   16.072 1.821045 19.68927 
1 1 1   -8    2   13 o  623.465   5.7256  1345.46   24.706  1357.64   28.879  1312.19   47.715  626.256   6.6628  615.511   11.201 10.74554 13.03258 
1 1 1   -8    2   15 f  275.827   6.3441  263.430   12.111  254.255   14.997  280.634   20.536  270.935   7.9976  284.553   10.427 -13.61813 13.14106 
1 1 1   -8    2   16 o  358.982   5.9819  446.315   14.862  458.780   26.046  440.296   18.098  363.670   10.348  356.481   7.3353 7.188690 12.68402 
1 1 1   -8    2   17 o  400.265   5.1419  554.895   14.245  555.309   20.345  554.497   19.951  400.237   7.3446  399.957   7.2072 0.2797241 10.29011 
1 1 1   -8    2   18 o  155.437   7.7208   83.829   8.3060  106.707   12.059   63.179   11.457  174.933   10.002  134.090   12.489 40.84279 16.00006 
1 1 1   -8    2   19 o   73.846   15.396   19.826   7.6142   23.042   10.830   16.684   10.707   79.170   19.813   68.331   20.786 10.83923 28.71620 
1 1 1   -8    2   20 o  206.459   7.8125  148.203   11.164  156.630   13.509  130.049   19.826  212.056   9.2041  191.623   15.071 20.43248 17.65906 
1 1 1   -8    2   21 o  208.077   7.9242  150.779   11.412  130.146   19.109  162.217   14.228  191.382   14.535  215.520   9.5383 -24.13850 17.38509 
1 1 1   -8    4    1 o  1273.21   8.8820  5610.52   78.268  5559.75  109.632  5663.29  111.775  1267.35   12.499  1279.10   12.626 -11.74304 17.76601 
1 1 1   -8    4    2 o  1007.56   7.2933  3513.39   50.859  3514.99   71.967  3511.80   71.885  1007.74   10.318  1007.28   10.311 0.4566650 14.58728 
1 1 1   -8    4    3 o  582.367   5.8061  1173.73   23.402  1162.72   28.484  1196.58   41.050  579.621   7.1004  587.971   10.088 -8.350525 12.33586 
1 1 1   -8    4    4 o  1418.11   9.8174  6960.88   96.357  7096.33  139.006  6835.58  133.690  1431.68   14.028  1405.15   13.747 26.53650 19.64104 
1 1 1   -8    4    5 o  1785.44   14.010 11038.33  173.129   0.0000   0.0000 11038.33  173.129  ?   ?   1785.44   14.010 0.000000 14.01031 
1 1 1   -8    4    6 o  1380.38   9.6118  6597.33   91.829  6624.39  184.164  6588.38  105.939  1382.14   19.252  1379.33   11.097 2.815552 22.22126 
1 1 1   -8    4    7 o  316.568   9.6859  347.073   21.222  347.073   21.222   0.0000   0.0000  316.568   9.6859  ?   ?  0.000000 9.685864 
1 1 1   -8    4    8 o  1008.57   7.4165  3521.47   51.770  3432.09   58.169  3861.95  113.537  995.627   8.4415  1055.50   15.542 -59.87634 17.68626 
1 1 1   -8    4    9 o  1276.73   10.392  5644.10   91.826  5649.11  112.561  5634.15  158.773  1277.12   12.734  1274.89   17.994 2.233765 22.04429 
1 1 1   -8    4   10 o  1693.83   23.212  9951.22  272.117   0.0000   0.0000  9951.22  272.117  ?   ?   1693.83   23.212 0.000000 23.21183 
1 1 1   -8    4   11 o  1255.81   8.9247  5459.38   77.570  5458.03   89.578  5463.42  155.101  1255.59   10.308  1255.65   17.847 -0.6066895E-01 20.61012 
1 1 1   -8    4   12 o  855.182   6.6806  2531.43   39.541  2550.39   46.031  2478.05   77.233  858.344   7.7485  845.829   13.193 12.51508 15.30015 
1 1 1   -8    4   13 o  968.052   8.4013  3244.60   56.289  3283.83   69.570  3170.24   95.781  973.763   10.323  956.427   14.469 17.33594 17.77423 
1 1 1   -8    4   14 o  1035.14   10.827  3712.16   77.566  3712.16   77.566   0.0000   0.0000  1035.14   10.827  ?   ?  0.000000 10.82668 
1 1 1   -8    4   15 o  665.738   5.9834  1534.54   27.569  1561.78   32.453  1463.90   52.259  671.558   6.9821  649.773   11.620 21.78503 13.55676 
1 1 1   -8    4   16 o  280.168   6.0321  271.860   11.697  275.064   13.664  263.073   22.627  281.774   7.0065  275.276   11.876 6.497925 13.78891 
1 1 1   -8    4   17 o  198.439   9.5211  136.672   13.076  128.537   18.802  144.293   18.198  191.569   14.284  203.229   13.006 -11.65947 19.31806 
1 1 1   -8    4   18 o  186.443   6.9437  120.550   8.9601  110.880   12.592  130.470   12.753  178.294   10.247  193.781   9.5085 -15.48756 13.97912 
1 1 1   -8    4   19 o  290.309   7.7764  292.697   15.625  267.463   20.850  325.024   23.599  277.042   10.874  305.344   11.167 -28.30173 15.58623 
1 1 1   -8    4   20 o  114.697   11.824   46.490   9.2518   42.800   11.670   52.732   15.178  109.066   15.930  120.480   18.817 -11.41451 24.65499 
1 1 1   -8    4   21 o  129.407   10.731   59.018   9.5244   49.582   11.873   76.049   15.952  117.496   14.938  145.517   16.109 -28.02109 21.96886 
1 1 1   -8    6    1 o  2167.51   14.526 16263.97  217.911 16280.55  308.461 16247.46  307.884  2168.22   20.555  2166.02   20.538 2.203613 29.05686 
1 1 1   -8    6    2 o  1819.46   12.313 11459.12  155.060 11687.96  224.059 11248.77  214.809  1837.28   17.620  1802.45   17.219 34.82715 24.63681 
1 1 1   -8    6    3 o  1338.87   10.746  6204.70   99.577  6245.40  122.869  6126.83  169.973  1343.17   13.217  1330.14   18.463 13.03040 22.70633 
1 1 1   -8    6    4 o  277.962   4.3681  267.386   8.4034  265.463   16.130  268.102   9.8450  276.944   8.4151  278.332   5.1106 -1.387939 9.845469 
1 1 1   -8    6    5 o  572.634   5.8945  1134.89   23.361   0.0000   0.0000  1134.89   23.361  ?   ?   572.634   5.8945 0.000000 5.894479 
1 1 1   -8    6    6 o  732.242   6.8003  1856.00   34.464  1848.29   59.173  1859.96   42.396  730.520   11.703  732.970   8.3573 -2.449829 14.38107 
1 1 1   -8    6    7 o  589.920   6.0944  1204.67   24.883  1262.38   31.150  1102.93   41.363  603.837   7.4536  564.280   10.591 39.55707 12.95087 
1 1 1   -8    6    8 o  1458.71   14.314  7373.70  144.515  7373.70  144.515   0.0000   0.0000  1458.71   14.314  ?   ?  0.000000 14.31420 
1 1 1   -8    6    9 o  533.016   7.1689  983.424   26.446  983.424   26.446   0.0000   0.0000  533.016   7.1689  ?   ?  0.000000 7.168858 
1 1 1   -8    6   10 o  1502.25   14.745  7816.78  153.305  8175.61  227.247  7517.07  207.683  1535.57   21.382  1472.56   20.377 63.01367 29.53700 
1 1 1   -8    6   11 o  1534.29   10.611  8150.24  112.680  8132.34  129.832  8204.88  226.828  1532.49   12.241  1538.32   21.305 -5.830688 24.57077 
1 1 1   -8    6   12 o  873.849   7.7856  2643.39   47.088  2627.50   57.261  2676.58   82.755  871.148   9.4971  879.023   13.602 -7.874634 16.58972 
1 1 1   -8    6   13 o  675.177   6.7195  1578.06   31.400  1584.16   38.450  1565.85   54.407  676.426   8.2129  672.339   11.692 4.087158 14.28832 
1 1 1   -8    6   14 o  263.585   6.2908  240.521   11.476  249.689   13.444  215.902   22.032  268.544   7.2335  249.251   12.815 19.29276 14.71513 
1 1 1   -8    6   15 o  785.499   7.3611  2136.91   40.019  2161.51   49.366  2089.76   68.348  789.847   9.0304  776.164   12.723 13.68262 15.60212 
1 1 1   -8    6   16 o  330.249   6.7472  377.824   15.422  387.120   19.930  363.951   24.347  334.175   8.6172  323.856   10.862 10.31882 13.86511 
1 1 1   -8    6   17 o  209.042   8.3527  151.572   12.085  169.773   16.038  127.659   18.382  221.092   10.481  190.944   14.007 30.14809 17.49439 
1 1 1   -8    6   18 o  187.533   7.7763  122.035   10.093  132.362   11.941   96.195   18.889  195.229   8.8372  164.862   16.789 30.36739 18.97245 
1 1 1   -8    6   19 o  260.366   6.3917  235.168   11.518  234.312   13.534  237.415   21.934  259.769   7.5278  260.775   12.153 -1.006256 14.29519 
1 1 1   -8    6   20 o  185.012   8.0709  119.059   10.335  123.688   12.270  107.756   19.174  188.402   9.4096  173.999   16.104 14.40251 18.65145 
1 1 1   -8    6   21 o   79.884   16.847   23.529   9.0210   27.778   10.596   12.337   17.197   86.605   18.253   67.522   26.028 19.08266 31.79035 
1 1 1   -8    8    1 o  1201.69   8.4534  4997.88   70.307  5027.32  100.070  4969.18   98.802  1205.14   11.997  1198.16   11.914 6.986694 16.90833 
1 1 1   -8    8    2 o  2009.80   13.523 13983.10  188.106 13845.90  263.084 14126.61  269.060  1999.58   19.010  2019.73   19.248 -20.15100 27.05267 
1 1 1   -8    8    3 f  1325.56   9.2341  6081.65   84.717  6111.59  120.437  6052.33  119.188  1328.69   13.097  1322.24   13.024 6.454468 18.47011 
1 1 1   -8    8    4 o  1513.57   10.406  7930.01  109.006  7697.56  210.599  8015.07  127.399  1490.61   20.413  1521.59   12.097 -30.97302 23.72876 
1 1 1   -8    8    5 f  733.987   5.8719  1864.59   29.829  1911.71   60.675  1849.57   34.255  743.048   11.798  731.009   6.7705 12.03943 13.60286 
1 1 1   -8    8    6 o  529.324   9.9762  970.244   36.548  970.244   36.548   0.0000   0.0000  529.324   9.9762  ?   ?  0.000000 9.976219 
1 1 1   -8    8    8 o  1162.63   8.3269  4679.71   67.004  4800.74   97.151  4569.91   92.533  1177.29   11.923  1148.66   11.639 28.62744 16.66230 
1 1 1   -8    8    9 o  987.937   8.4377  3378.76   57.694  3433.96   71.600  3276.58   97.418  995.884   10.388  972.553   14.473 23.33081 17.81485 
1 1 1   -8    8   10 f  1166.50   8.3698  4710.23   67.574  4699.77   77.770  4742.44  136.510  1165.15   9.6440  1169.96   16.858 -4.815674 19.42184 
1 1 1   -8    8   11 o  1033.17   8.8248  3695.18   63.104  3639.10   76.203  3817.56  112.569  1025.22   10.739  1049.77   15.493 -24.55530 18.85150 
1 1 1   -8    8   12 o  574.621   6.2068  1142.89   24.685  1144.77   30.092  1139.02   43.160  575.063   7.5606  573.522   10.873 1.541748 13.24344 
1 1 1   -8    8   13 o  990.807   8.6109  3399.10   59.050  3399.10   59.050   0.0000   0.0000  990.807   8.6109  ?   ?  0.000000 8.610942 
1 1 1   -8    8   14 o  574.022   6.3183  1140.72   25.102  1150.86   30.758  1120.49   43.436  576.512   7.7085  568.676   11.036 7.836365 13.46147 
1 1 1   -8    8   15 o  538.506   6.2344  1004.13   23.236  1004.71   28.297  1002.93   40.715  538.584   7.5911  537.849   10.937 0.7351685 13.31358 
1 1 1   -8    8   16 o  177.404   7.9905  109.079   9.8110  112.221   11.717  101.707   17.946  179.638   9.4575  170.268   15.395 9.370621 18.06790 
1 1 1   -8    8   17 o  267.821   6.1569  248.538   11.413  265.158   13.651  209.951   20.800  276.569   7.1315  245.689   12.232 30.88048 14.15936 
1 1 1   -8    8   18 o  195.522   9.5584  132.849   12.935  156.195   18.173  108.878   18.414  211.335   12.480  175.792   15.287 35.54341 19.73433 
1 1 1   -8    8   19 o  188.632   8.8986  123.729   11.618  123.729   11.618   0.0000   0.0000  188.632   8.8986  ?   ?  0.000000 8.898601 
1 1 1   -8    8   20 o  274.277   6.9063  261.324   13.110  258.615   15.577  267.902   24.276  272.630   8.2555  276.465   12.687 -3.834381 15.13643 
1 1 1   -8    8   21 o   45.331   18.370   3.4176   8.9697   0.5094   10.577   10.863   16.925   45.102   19.232   65.645   25.676 -20.54313 32.07995 
1 1 1   -8   10    1 o  2415.19   16.121 20196.00  269.470 20316.45  383.670 20078.73  378.559  2421.77   22.890  2407.58   22.718 14.19189 32.25023 
1 1 1   -8   10    2 o  1012.81   8.4722  3550.31   59.388  3579.17   73.399  3495.61  101.061  1016.88   10.429  1004.83   14.532 12.04559 17.88661 
1 1 1   -8   10    3 o  1210.98   8.5317  5075.68   71.507  4902.44  137.575  5139.80   83.702  1189.85   16.706  1218.57   9.9246 -28.72144 19.43156 
1 1 1   -8   10    4 o  887.466   7.6573  2726.01   47.033  2666.83   79.476  2757.91   58.348  877.630   13.084  892.602   9.4448 -14.97119 16.13684 
1 1 1   -8   10    5 o  694.438   5.6361  1669.09   27.089  1676.36   38.381  1661.87   38.238  695.896   7.9688  692.882   7.9736 3.014709 11.27297 
1 1 1   -8   10    6 o  666.729   7.8523  1539.04   36.235  1441.95   48.781  1658.54   54.121  645.217   10.924  691.958   11.301 -46.74030 15.71739 
1 1 1   -8   10    7 o  294.546   4.7739  300.285   9.7321  308.960   13.826  291.767   13.701  298.744   6.6871  290.311   6.8189 8.433350 9.550588 
1 1 1   -8   10    8 o  845.346   6.5258  2473.58   38.181  2456.64   53.553  2491.10   54.451  842.340   9.1858  848.224   9.2751 -5.883362 13.05398 
1 1 1   -8   10    9 o  1625.39   12.892  9149.56  145.029  9346.34  256.524  9057.11  175.827  1641.45   22.580  1616.85   15.712 24.60266 27.50865 
1 1 1   -8   10   10 f  757.611   7.0540  1986.68   36.988  1971.23   44.745  2020.00   65.728  754.624   8.5672  763.775   12.434 -9.150940 15.09962 
1 1 1   -8   10   11 o  559.201   6.2363  1082.32   24.136  1068.14   29.392  1111.71   42.295  555.500   7.6448  566.644   10.785 -11.14429 13.21935 
1 1 1   -8   10   12 o  790.449   7.2943  2162.86   39.906  2163.31   48.721  2161.95   69.559  790.471   8.9054  790.035   12.721 0.4360962 15.52864 
1 1 1   -8   10   13 o  989.735   7.4423  3391.32   50.981  3416.56   59.265  3319.51   99.973  993.339   8.6204  978.591   14.761 14.74805 17.09351 
1 1 1   -8   10   14 o  501.747   6.1256  871.539   21.272  882.256   25.983  849.756   37.043  504.775   7.4373  495.231   10.807 9.544098 13.11928 
1 1 1   -8   10   15 o  374.923   6.4749  486.775   16.802  480.623   21.055  497.561   27.879  372.472   8.1673  378.836   10.633 -6.363708 13.40765 
1 1 1   -8   10   16 f  203.402   7.2111  143.358   10.152  150.822   12.037  124.976   18.891  208.585   8.3381  188.986   14.555 19.59854 16.77382 
1 1 1   -8   10   17 o  243.524   6.4797  205.526   10.921  210.311   12.822  192.878   20.846  246.279   7.5223  235.060   12.862 11.21941 14.90016 
1 1 1   -8   10   18 o   45.257   19.106   0.7924   10.265   4.2891   13.421  -4.1361   15.933   54.890   22.385   51.724   22.808 3.166206 31.95823 
1 1 1   -8   10   19 o  118.945   10.858   49.720   8.8401   55.132   10.264   34.176   17.397  125.099   12.002   95.756   25.709 29.34306 28.37224 
1 1 1   -8   10   20 o   62.545   19.092   14.031   9.0210   23.532   10.450 -13.7610   17.872   79.733   19.172   48.399   22.429 31.33387 29.50651 
1 1 1   -8   10   21 o  191.899   8.5835  128.443   11.400  125.791   13.818  134.098   20.175  189.235   10.593  193.930   15.151 -4.694962 18.48696 
1 1 1   -8   12    1 o  1495.67   10.283  7743.12  106.445  7554.95  146.596  7952.98  154.812  1477.23   14.338  1515.62   14.758 -38.39502 20.57652 
1 1 1   -8   12    2 o  272.768   4.8513  257.487   9.1586  227.463   14.957  275.496   11.584  256.358   8.4301  282.142   5.9322 -25.78339 10.30812 
1 1 1   -8   12    3 o  874.805   7.5648  2648.73   45.802  2546.83   76.151  2706.49   57.332  857.688   12.828  884.255   9.3679 -26.56702 15.88464 
1 1 1   -8   12    4 o  1593.05   12.604  8787.36  138.972  8721.95  238.870  8820.83  170.865  1586.19   21.759  1595.84   15.470 -9.654297 26.69748 
1 1 1   -8   12    6 f  889.153   7.7460  2737.25   47.668  2705.37   81.815  2753.63   58.652  883.528   13.379  891.699   9.5036 -8.171143 16.41116 
1 1 1   -8   12    8 o  297.632   5.0611  306.598   10.426  284.277   14.454  330.803   15.052  286.572   7.2876  309.137   7.0350 -22.56525 10.12918 
1 1 1   -8   12   10 o  464.534   5.0149  746.838   16.123  731.669   18.190  802.439   34.826  459.785   5.7162  481.434   10.452 -21.64828 11.91281 
1 1 1   -8   12   11 o  553.493   5.3095  1060.30   20.340  1092.93   23.776  971.220   39.280  561.934   6.1132  529.628   10.716 32.30688 12.33683 
1 1 1   -8   12   12 o   93.947   18.960   31.712   11.903   31.712   11.903   0.0000   0.0000   93.947   18.960  ?   ?  0.000000 18.96017 
1 1 1   -8   12   13 o  583.881   5.5875  1180.06   22.580  1181.08   26.147  1177.07   44.781  584.109   6.4677  582.927   11.099 1.181458 12.84634 
1 1 1   -8   12   14 o  766.296   6.3471  2032.98   33.663  2071.21   39.482  1931.22   64.423  773.406   7.3758  746.395   12.471 27.01093 14.48874 
1 1 1   -8   12   15 o  531.758   6.2005  979.182   22.820  1003.49   28.263  933.659   38.680  538.228   7.5870  518.901   10.770 19.32642 13.17420 
1 1 1   -8   12   16 o  250.554   6.8228  217.509   11.831  238.800   14.603  176.829   20.186  262.468   8.0387  225.180   13.007 37.28766 15.29089 
1 1 1   -8   12   17 o  247.450   8.5568  212.458   14.655  210.976   20.370  214.049   21.099  246.275   11.950  248.025   12.291 -1.750198 17.14310 
1 1 1   -8   12   18 o  170.083   9.2224  100.815   10.816  100.815   10.816   0.0000   0.0000  170.083   9.2224  ?   ?  0.000000 9.222436 
1 1 1   -8   12   19 o   80.031   18.594   23.534   10.103   24.040   13.442   22.878   15.316   80.887   22.949   79.807   24.963 1.079346 33.90913 
1 1 1   -8   12   20 o   41.916   18.594  -3.2911   10.746   4.4175   13.655 -15.8293   17.415   54.900   22.506   46.440   21.728 8.460266 31.28296 
1 1 1   -8   12   21 o   51.122   19.039   7.4533   9.0164   10.768   10.475  -2.0210   17.711   58.014   20.683   55.293   24.224 2.721478 31.85284 
1 1 1   -8   14    1 o  1248.72   12.387  5398.05  107.059   0.0000   0.0000  5398.05  107.059  ?   ?   1248.72   12.387 0.000000 12.38742 
1 1 1   -8   14    2 o  962.320   7.0658  3205.12   47.061  3029.27   88.690  3274.04   55.522  935.373   13.700  972.587   8.2481 -37.21362 15.99109 
1 1 1   -8   14    3 o  467.198   4.6142  755.406   14.920  747.973   20.912  763.112   21.293  464.878   6.4996  469.558   6.5521 -4.680145 9.229053 
1 1 1   -8   14    4 o  1030.58   8.6373  3676.81   61.608  3689.20   75.541  3652.20  106.462  1032.23   10.574  1026.76   14.981 5.467407 18.33701 
1 1 1   -8   14    5 o  949.827   8.0917  3123.49   53.194  3091.38   64.510  3191.71   94.024  944.823   9.8650  959.678   14.156 -14.85425 17.25417 
1 1 1   -8   14    6 f  1458.80   11.668  7372.83  117.802  7297.56  202.055  7411.58  144.995  1449.70   20.138  1462.21   14.327 -12.50562 24.71452 
1 1 1   -8   14    7 o  659.296   6.4643  1504.62   29.497  1432.19   49.492  1544.53   36.735  643.057   11.120  667.933   7.9463 -24.87628 13.66747 
1 1 1   -8   14    8 o  383.616   5.6033  509.343   14.877  465.317   24.614  534.685   18.674  366.602   9.7008  393.027   6.8650 -26.42502 11.88420 
1 1 1   -8   14    9 o  1058.62   10.938  3880.16   80.139  3880.16   80.139   0.0000   0.0000  1058.62   10.938  ?   ?  0.000000 10.93769 
1 1 1   -8   14   10 o  1820.92   12.414 11481.59  156.451 11518.42  221.836 11445.15  220.679  1823.26   17.579  1817.45   17.544 5.803589 24.83584 
1 1 1   -8   14   11 o  546.466   6.1201  1033.60   23.147  1051.14   28.161  997.073   40.642  551.059   7.3836  536.616   10.943 14.44366 13.20099 
1 1 1   -8   14   12 o  565.991   7.8150  1109.01   30.614  1078.54   42.788  1140.98   43.819  558.049   11.078  573.978   11.030 -15.92810 15.63330 
1 1 1   -8   14   13 o  156.366   8.8186   84.936   9.5047   80.895   11.067   96.293   18.553  152.458   10.554  165.820   16.380 -13.36264 19.48526 
1 1 1   -8   14   14 o  487.931   6.2295  824.258   21.037  865.380   26.710  757.073   34.141  499.892   7.7202  467.421   10.553 32.47095 13.07578 
1 1 1   -8   14   15 f  709.438   6.1279  1742.93   30.089  1744.61   34.888  1738.05   59.443  709.695   7.1029  707.720   12.136 1.974426 14.06146 
1 1 1   -8   14   16 o  136.448   9.5727   64.906   8.9829   72.480   10.562   45.107   17.078  144.105   10.666  111.391   22.916 32.71467 25.27669 
1 1 1   -8   14   17 o  435.309   6.3750  656.766   19.207  656.766   19.207   0.0000   0.0000  435.309   6.3750  ?   ?  0.000000 6.374988 
1 1 1   -8   14   18 o  228.133   6.5356  180.492   10.319  195.618   12.295  144.439   18.982  237.420   7.4821  202.912   13.595 34.50766 15.51762 
1 1 1   -8   14   19 o  239.285   6.5160  198.701   10.791  202.878   12.617  187.317   20.827  241.672   7.5432  230.990   13.081 10.68130 15.10021 
1 1 1   -8   14   20 o  113.861   11.704   45.853   9.0921   41.012   10.414   61.366   18.644  106.997   14.431  129.045   21.641 -22.04841 26.01162 
1 1 1   -8   14   21 f   50.040   18.858   6.8872   8.8970   5.1473   10.178   12.522   18.317   49.683   19.762   68.636   26.749 -18.95262 33.25672 
1 1 1   -8   16    1 o  1597.08   12.634  8831.03  139.648   0.0000   0.0000  8831.03  139.648  ?   ?   1597.08   12.634 0.000000 12.63369 
1 1 1   -8   16    2 o  836.370   7.3452  2421.18   42.519  2480.98   75.336  2393.22   51.506  846.471   12.859  831.490   8.9500 14.98083 15.66729 
1 1 1   -8   16    3 f  930.234   6.8969  2995.19   44.404  2916.69   61.255  3082.12   64.462  917.869   9.6424  943.531   9.8712 -25.66119 13.79914 
1 1 1   -8   16    4 o  765.893   6.0010  2030.41   31.810  1964.69   43.603  2105.18   46.511  753.315   8.3630  779.774   8.6181 -26.45953 12.00882 
1 1 1   -8   16    6 o  324.924   9.5370  365.610   21.447  365.610   21.447   0.0000   0.0000  324.924   9.5370  ?   ?  0.000000 9.537042 
1 1 1   -8   16    7 f  1221.97   12.251  5172.00  103.608   0.0000   0.0000  5172.00  103.608  ?   ?   1221.97   12.251 0.000000 12.25057 
1 1 1   -8   16    8 o  565.991   5.2284  1108.72   20.481  1107.11   28.820  1110.37   29.112  565.544   7.3628  566.373   7.4267 -0.8285522 10.45789 
1 1 1   -8   16   10 o  1357.75   13.516  6384.38  127.011   0.0000   0.0000  6384.38  127.011  ?   ?   1357.75   13.516 0.000000 13.51587 
1 1 1   -8   16   11 o  1298.31   10.587  5836.60   95.136  5836.60   95.136   0.0000   0.0000  1298.31   10.587  ?   ?  0.000000 10.58742 
1 1 1   -8   16   12 o  457.596   5.2822  724.760   16.729  731.545   19.104  702.439   34.648  459.720   6.0040  450.347   11.116 9.372925 12.63407 
1 1 1   -8   16   13 o  828.318   13.215  2378.05   75.761   0.0000   0.0000  2378.05   75.761  ?   ?   828.318   13.215 0.000000 13.21519 
1 1 1   -8   16   14 o  141.989   9.1235   70.131   8.9185   76.169   10.581   55.317   16.573  147.893   10.404  124.590   19.888 23.30304 22.44501 
1 1 1   -8   16   15 o  441.046   6.0097  673.644   18.345  720.070   22.912  590.732   30.619  455.914   7.2611  412.685   10.720 43.22894 12.94782 
1 1 1   -8   16   16 o  416.014   5.9688  599.533   17.186  612.876   20.964  572.195   30.009  420.518   7.2031  405.955   10.680 14.56296 12.88244 
1 1 1   -8   16   17 o  246.361   6.3432  210.370   10.816  220.943   12.561  180.049   21.271  252.419   7.1898  226.866   13.610 25.55229 15.39228 
1 1 1   -8   16   18 o  200.800   7.2212  139.915   10.036  134.807   11.830  153.024   18.952  196.981   8.6776  208.929   13.174 -11.94775 15.77520 
1 1 1   -8   16   19 o  180.622   9.4188  113.892   11.734  130.047   14.694   85.463   19.493  192.734   11.062  154.280   18.633 38.45412 21.66887 
1 1 1   -8   16   20 o   81.025   19.086   24.353   10.527   17.854   12.951   37.005   18.072   70.933   23.045   98.678   26.070 -27.74501 34.79561 
1 1 1   -8   16   21 o   88.409   15.256   28.521   8.9976   36.077   10.228   2.6502   18.924   99.665   15.317   60.463   25.751 39.20172 29.96242 
1 1 1   -8   18    1 o  898.130   6.7075  2791.95   41.694  2711.82   57.332  2881.90   60.744  885.069   9.3594  912.392   9.6194 -27.32336 13.42125 
1 1 1   -8   18    2 o  687.236   6.4680  1634.74   30.765  1616.10   52.924  1644.25   37.809  683.166   11.193  689.198   7.9264 -6.031433 13.71546 
1 1 1   -8   18    3 o  938.604   9.8665  3050.52   64.095  2946.34   87.488  3171.22   94.168  922.179   13.707  956.682   14.222 -34.50287 19.75239 
1 1 1   -8   18    4 o  313.070   6.3086  339.285   13.669  373.854   20.095  309.512   18.649  328.584   8.8361  298.971   9.0126 29.61288 12.62159 
1 1 1   -8   18    5 o  922.674   13.847  2950.73   88.427  2950.73   88.427   0.0000   0.0000  922.674   13.847  ?   ?  0.000000 13.84713 
1 1 1   -8   18    6 o  489.912   5.7113  830.765   19.366  807.317   33.310  842.737   23.801  482.840   9.9676  493.403   6.9699 -10.56268 12.16273 
1 1 1   -8   18    7 o  580.253   6.0920  1165.38   24.466  1158.54   42.750  1168.72   29.834  578.428   10.679  581.055   7.4186 -2.627136 13.00257 
1 1 1   -8   18    9 o  665.050   5.6957  1530.78   26.217  1546.86   37.161  1514.84   36.991  668.491   8.0319  661.536   8.0793 6.955200 11.39236 
1 1 1   -8   18   10 o  327.930   6.1215  372.204   13.894  385.590   16.724  342.390   24.960  333.764   7.2398  314.457   11.469 19.30646 13.56252 
1 1 1   -8   18   11 o  924.240   7.0827  2956.92   45.306  2977.89   64.199  2936.11   63.947  927.381   10.002  920.852   10.033 6.529663 14.16737 
1 1 1   -8   18   12 o  409.564   10.766  580.976   30.518   0.0000   0.0000  580.976   30.518  ?   ?   409.564   10.766 0.000000 10.76612 
1 1 1   -8   18   13 o  238.565   9.7804  197.134   16.149  102.049   23.382  283.854   22.330  170.199   20.247  286.224   11.272 -116.0250 23.17315 
1 1 1   -8   18   14 o  263.243   6.0690  239.933   11.057  240.166   12.846  239.268   21.724  263.347   7.0479  262.680   11.949 0.6668701 13.87285 
1 1 1   -8   18   15 o  341.049   5.5009  402.781   12.985  408.124   15.131  387.854   25.293  343.264   6.3687  334.341   10.930 8.923035 12.65029 
1 1 1   -8   18   16 o  153.748   9.9401   82.392   10.521   82.392   10.521   0.0000   0.0000  153.748   9.9401  ?   ?  0.000000 9.940130 
1 1 1   -8   18   17 o  157.741   8.4395   86.608   9.1805   84.659   10.793   91.707   17.458  155.759   10.066  161.193   15.853 -5.434311 18.77910 
1 1 1   -8   18   18 o  206.325   7.0759  147.723   10.104  152.090   11.805  135.756   19.541  209.259   8.1510  196.418   14.477 12.84114 16.61359 
1 1 1   -8   18   19 o   55.623   18.546   10.432   8.3684   10.923   9.7273   9.0341   16.416   57.884   19.985   63.827   25.188 -5.942589 32.15357 
1 1 1   -8   18   20 o   53.492   18.856   9.1109   8.6834   2.0329   10.136   28.634   16.834   46.008   19.175   87.381   25.949 -41.37247 32.26473 
1 1 1   -8   18   21 o  115.547   11.667   47.438   9.2025   46.090   10.487   51.951   19.189  113.340   13.643  116.345   24.599 -3.005173 28.12900 
1 1 1   -8   20    1 o  169.924   5.4090   99.939   6.3613  109.451   8.9358   90.164   9.0580  177.815   7.2609  161.177   8.1463 16.63794 10.91251 
1 1 1   -8   20    2 o  1270.86   8.9253  5592.10   78.505  5383.63  106.606  5839.11  116.039  1246.64   12.356  1298.24   12.914 -51.60291 17.87290 
1 1 1   -8   20    3 o  860.398   7.5183  2562.93   44.771  2541.52   54.509  2607.32   78.487  856.703   9.1931  867.429   13.073 -10.72595 15.98203 
1 1 1   -8   20    4 o  374.529   9.1214  485.756   23.644  485.756   23.644   0.0000   0.0000  374.529   9.1214  ?   ?  0.000000 9.121435 
1 1 1   -8   20    5 o  533.156   5.8269  983.928   21.502  910.732   35.601  1025.96   26.978  512.817   10.031  544.390   7.1601 -31.57343 12.32386 
1 1 1   -8   20    6 o  526.726   7.1163  960.384   25.943   0.0000   0.0000  960.384   25.943  ?   ?   526.726   7.1163 0.000000 7.116257 
1 1 1   -8   20    7 o  446.762   5.6553  690.821   17.487  622.927   29.163  728.940   21.851  424.171   9.9336  458.905   6.8798 -34.73340 12.08336 
1 1 1   -8   20    8 o  680.075   5.7297  1600.73   26.969  1666.84   39.241  1541.56   37.127  693.927   8.1705  667.342   8.0384 26.58527 11.46177 
1 1 1   -8   20    9 o  813.923   6.4106  2292.91   36.113  2322.46   51.363  2264.02   50.784  819.083   9.0604  808.711   9.0731 10.37164 12.82233 
1 1 1   -8   20   11 o  1109.45   8.1149  4261.25   62.311  4279.24   88.302  4243.42   87.942  1111.56   11.478  1106.90   11.479 4.662842 16.23305 
1 1 1   -8   20   12 o  1043.13   15.548  3772.68  112.248   0.0000   0.0000  3772.68  112.248  ?   ?   1043.13   15.548 0.000000 15.54764 
1 1 1   -8   20   13 o  667.768   6.7813  1543.86   31.341  1543.86   31.341   0.0000   0.0000  667.768   6.7813  ?   ?  0.000000 6.781288 
1 1 1   -8   20   14 o  453.551   10.704  713.171   33.601   0.0000   0.0000  713.171   33.601  ?   ?   453.551   10.704 0.000000 10.70400 
1 1 1   -8   20   15 o  393.673   5.9627  536.770   16.246  557.881   19.867  494.146   28.228  401.265   7.1535  377.352   10.808 23.91299 12.96124 
1 1 1   -8   20   16 o  286.597   5.6752  284.547   11.257  285.129   13.123  282.927   21.903  286.836   6.6104  285.352   11.090 1.484192 12.91087 
1 1 1   -8   20   17 o  181.017   7.9823  113.713   10.001  115.030   12.009  110.732   18.062  181.701   9.5836  177.415   14.846 4.285828 17.67061 
1 1 1   -8   20   18 o  159.534   9.9608   88.921   10.943  101.004   13.906   69.268   17.735  169.739   11.913  138.842   18.950 30.89609 22.38379 
1 1 1   -8   20   19 o   90.849   13.967   29.622   8.5010   31.228   9.7853   24.678   17.165   92.911   15.782   82.750   26.495 10.16053 30.83920 
1 1 1   -8   20   20 o   94.384   14.077   32.065   8.9145   36.147   10.152   18.317   18.631  100.051   15.133   75.465   27.494 24.58585 31.38386 
1 1 1   -8   22    1 o  358.478   5.1937  444.799   12.886  459.512   22.265  437.389   15.801  364.286   8.8308  355.460   6.4228 8.826508 10.91949 
1 1 1   -8   22    2 o  833.636   9.0235  2406.52   52.063  2406.52   52.063   0.0000   0.0000  833.636   9.0235  ?   ?  0.000000 9.023453 
1 1 1   -8   22    3 o  617.327   5.3115  1319.10   22.694  1261.75   30.994  1385.39   33.319  603.690   7.4181  632.569   7.6104 -28.87878 10.62762 
1 1 1   -8   22    4 o  1203.76   8.5370  5017.18   71.125  4928.41   98.710  5113.03  102.573  1192.75   11.957  1214.86   12.199 -22.10828 17.08209 
1 1 1   -8   22    5 o  982.500   14.620  3344.88   99.415  3344.88   99.415   0.0000   0.0000  982.500   14.620  ?   ?  0.000000 14.61981 
1 1 1   -8   22    6 o  400.242   9.7782  554.634   27.087  554.634   27.087   0.0000   0.0000  400.242   9.7782  ?   ?  0.000000 9.778160 
1 1 1   -8   22    7 o  1086.81   9.1207  4088.95   68.605  4152.68  121.098  4058.83   83.255  1094.83   15.981  1082.70   11.110 12.12891 19.46385 
1 1 1   -8   22    8 f  762.930   6.1292  2014.57   32.364  2037.71   46.120  1992.11   45.428  767.242   8.6853  758.609   8.6522 8.632935 12.25944 
1 1 1   -8   22    9 o  1151.27   9.5459  4588.49   76.063  4614.89   93.723  4537.56  130.189  1154.46   11.730  1144.43   16.436 10.03442 20.19261 
1 1 1   -8   22   11 o  674.424   5.8943  1574.39   27.513  1566.91   38.354  1582.32   39.490  672.745   8.2372  676.038   8.4400 -3.292419 11.79340 
1 1 1   -8   22   13 f  279.689   5.8509  270.816   11.326  279.703   13.143  245.171   22.326  284.224   6.6811  265.940   12.130 18.28406 13.84788 
1 1 1   -8   22   14 o  251.623   7.6035  219.330   13.242  252.165   17.259  172.342   20.646  269.734   9.2448  222.395   13.477 47.33916 16.34304 
1 1 1   -8   22   15 o  282.830   6.7416  277.149   13.197  277.149   13.197   0.0000   0.0000  282.830   6.7416  ?   ?  0.000000 6.741616 
1 1 1   -8   22   16 o  378.072   5.4165  495.164   14.173  511.540   16.605  451.220   27.202  384.207   6.2447  360.332   10.907 23.87476 12.56844 
1 1 1   -8   22   17 o  128.956   11.576   58.368   10.221   51.156   12.432   73.415   17.958  119.985   15.320  143.369   18.531 -23.38481 24.04401 
1 1 1   -8   22   18 o   68.709   18.149   17.261   8.7593   21.841   10.391   6.0195   16.281   77.082   19.472   60.827   24.714 16.25547 31.46308 
1 1 1   -8   22   19 o   44.973   17.825   4.0299   8.2541   4.7838   9.1735   0.8244   18.916   47.764   18.836   59.837   25.621 -12.07327 31.80000 
1 1 1   -8   22   20 o   84.151   15.703   25.876   8.8091   31.963   10.048   5.6537   18.314   93.657   16.080   62.488   25.886 31.16923 30.47386 
1 1 1   -8   24    1 o  240.737   4.9048  200.594   8.1722  211.065   11.505  189.929   11.611  246.919   6.7320  234.224   7.1622 12.69478 9.829378 
1 1 1   -8   24    2 o  166.680   6.8988   96.179   7.9586   90.728   9.3055  111.024   15.358  161.659   8.3454  178.571   12.505 -16.91164 15.03417 
1 1 1   -8   24    3 o  862.662   6.5669  2576.09   39.208  2555.16   54.992  2597.74   55.917  859.021   9.2496  866.144   9.3278 -7.122925 13.13628 
1 1 1   -8   24    5 o  607.036   6.1210  1275.44   25.716  1182.44   41.734  1332.38   32.652  584.378   10.318  620.403   7.6044 -36.02423 12.81785 
1 1 1   -8   24    6 o  643.958   7.7939  1435.43   34.737  1435.43   34.737   0.0000   0.0000  643.958   7.7939  ?   ?  0.000000 7.793868 
1 1 1   -8   24    7 o  907.997   7.9649  2853.83   50.054  2840.00   86.625  2860.77   61.329  905.559   13.821  909.041   9.7477 -3.482422 16.91298 
1 1 1   -8   24    8 o  1736.06   11.863 10435.73  142.534 10326.55  199.068 10550.58  204.177  1726.48   16.660  1745.08   16.905 -18.59827 23.73433 
1 1 1   -8   24    9 o  167.026   7.2106   96.565   8.3355   90.572   11.037  104.521   12.716  161.438   9.9265  173.419   10.646 -11.98111 14.55605 
1 1 1   -8   24   10 o  219.587   9.4335  166.949   14.337   0.0000   0.0000  166.949   14.337  ?   ?   219.587   9.4335 0.000000 9.433481 
1 1 1   -8   24   11 o  919.584   8.1408  2927.80   51.812  3058.05   92.126  2867.54   62.662  939.355   14.170  909.963   9.9495 29.39185 17.31431 
1 1 1   -8   24   12 o  742.242   8.7305  1907.88   44.850  1907.88   44.850   0.0000   0.0000  742.242   8.7305  ?   ?  0.000000 8.730509 
1 1 1   -8   24   13 o  814.456   6.5075  2296.84   36.682  2354.88   43.085  2143.90   69.934  824.602   7.5493  786.223   12.852 38.37885 14.90510 
1 1 1   -8   24   14 o  220.598   7.4661  168.593   11.399  168.593   11.399   0.0000   0.0000  220.598   7.4661  ?   ?  0.000000 7.466069 
1 1 1   -8   24   15 o  257.373   7.3278  229.583   13.053  252.861   16.691  192.927   20.945  270.005   8.9316  235.204   12.916 34.80103 15.70332 
1 1 1   -8   24   16 o  448.343   5.3835  696.387   16.705  718.071   19.680  640.488   31.598  455.182   6.2470  429.282   10.635 25.90057 12.33420 
1 1 1   -8   24   17 o  142.296   9.1840   70.656   8.9966   69.385   10.381   74.488   18.030  140.790   10.735  144.372   18.467 -3.582153 21.36021 
1 1 1   -8   24   18 o   37.425   16.507  -2.3121   8.3501   2.5469   9.5991 -17.4244   16.929   45.784   18.831   44.935   21.149 0.8492813 28.31813 
1 1 1   -8   24   19 o  248.126   6.8818  213.893   11.818  213.656   13.699  214.585   23.367  247.819   7.9872  246.721   13.738 1.098053 15.89155 
1 1 1   -8   24   20 o  226.378   8.0321  178.584   12.585  178.584   12.585   0.0000   0.0000  226.378   8.0321  ?   ?  0.000000 8.032140 
1 1 1   -8   26    1 o  1669.38   13.179  9655.46  152.271  9575.58  184.796  9824.39  268.744  1661.98   16.065  1681.85   23.087 -19.87305 28.12689 
1 1 1   -8   26    2 o  422.697   4.6880  618.396   13.715  602.952   19.186  634.534   19.613  417.356   6.6421  428.148   6.6186 -10.79138 9.376758 
1 1 1   -8   26    5 o  516.934   5.0016  924.840   17.894  904.785   24.910  946.226   25.723  511.269   7.0396  522.845   7.1084 -11.57620 10.00422 
1 1 1   -8   26    6 o  758.118   6.0633  1989.24   31.814  2008.51   45.297  1970.47   44.693  761.723   8.5921  754.477   8.5588 7.246094 12.12754 
1 1 1   -8   26    7 o  387.274   6.7364  519.113   18.056  519.113   18.056   0.0000   0.0000  387.274   6.7364  ?   ?  0.000000 6.736412 
1 1 1   -8   26    8 o  170.068   14.237  100.878   16.604   0.0000   0.0000  100.878   16.604  ?   ?   170.068   14.237 0.000000 14.23692 
1 1 1   -8   26    9 o  1021.88   7.5554  3614.71   53.436  3647.65   75.935  3582.39   75.210  1026.37   10.690  1017.15   10.684 9.222046 15.11305 
1 1 1   -8   26   10 o  707.110   5.9607  1730.69   29.172  1762.25   41.536  1699.98   40.980  713.447   8.4117  700.726   8.4497 12.72101 11.92285 
1 1 1   -8   26   11 o  824.258   6.5729  2351.93   37.497  2412.83   53.797  2294.40   52.293  834.714   9.3120  813.973   9.2823 20.74139 13.14820 
1 1 1   -8   26   12 o  711.599   8.5303  1753.70   42.012  1753.70   42.012   0.0000   0.0000  711.599   8.5303  ?   ?  0.000000 8.530252 
1 1 1   -8   26   13 o  632.315   8.5511  1385.19   37.423   0.0000   0.0000  1385.19   37.423  ?   ?   632.315   8.5511 0.000000 8.551110 
1 1 1   -8   26   14 o  165.610   7.8354   95.045   8.9809  102.145   10.132   69.024   19.397  171.662   8.5283  139.057   20.793 32.60475 22.47378 
1 1 1   -8   26   15 o  409.793   5.2732  581.640   14.956  584.877   17.222  571.707   30.165  410.875   6.0561  405.723   10.742 5.151550 12.33174 
1 1 1   -8   26   16 o  218.631   7.7460  165.824   11.721  170.024   14.483  157.854   19.953  221.248   9.4582  212.331   13.650 8.916992 16.60665 
1 1 1   -8   26   17 o  236.764   6.4014  194.417   10.490  198.458   12.077  182.000   21.168  239.134   7.2969  227.834   13.484 11.30035 15.33182 
1 1 1   -8   26   18 o  191.014   7.5950  126.766   10.041  126.239   11.370  128.634   21.400  190.507   8.6233  190.373   16.402 0.1341095 18.53077 
1 1 1   -8   26   19 o  205.866   8.8643  147.676   12.630  147.676   12.630   0.0000   0.0000  205.866   8.8643  ?   ?  0.000000 8.864344 
1 1 1   -8   26   20 o   51.865   18.769   8.2684   8.6614   7.8129   9.7819   9.9220   18.637   52.701   19.790   66.431   26.634 -13.72984 33.18171 
1 1 1   -8   28    1 o  878.251   9.4295  2670.54   57.317  2670.54   57.317   0.0000   0.0000  878.251   9.4295  ?   ?  0.000000 9.429456 
1 1 1   -8   28    2 o  679.923   5.6701  1600.08   26.683  1545.88   36.721  1660.71   38.838  668.253   7.9396  692.623   8.1018 -24.37042 11.34358 
1 1 1   -8   28    3 o  632.537   5.4639  1384.79   23.920  1376.11   33.655  1393.65   34.004  630.506   7.7122  634.510   7.7432 -4.004150 10.92864 
1 1 1   -8   28    5 o  910.756   6.8798  2871.02   43.367  2793.70   59.762  2957.03   63.028  898.324   9.6120  924.202   9.8534 -25.87799 13.76520 
1 1 1   -8   28    6 f  1039.64   7.6146  3741.24   54.791  3735.99   77.269  3746.54   77.706  1038.80   10.747  1040.26   10.793 -1.463257 15.23116 
1 1 1   -8   28    7 o  950.177   8.1830  3125.18   53.814  3183.94   67.183  3020.00   89.890  958.998   10.122  933.809   13.908 25.18842 17.20168 
1 1 1   -8   28    8 o  787.861   6.2870  2148.46   34.282  2101.73   47.347  2199.96   49.704  779.177   8.7797  797.170   9.0087 -17.99347 12.57930 
1 1 1   -8   28    9 o  961.809   7.2308  3202.25   48.134  3185.97   67.523  3219.08   68.634  959.219   10.171  964.182   10.285 -4.963745 14.46473 
1 1 1   -8   28   10 o  383.123   9.6616  508.293   25.619  508.293   25.619   0.0000   0.0000  383.123   9.6616  ?   ?  0.000000 9.661568 
1 1 1   -8   28   12 o  393.768   5.4717  536.769   14.912  527.232   20.030  548.630   22.336  390.194   7.4169  398.007   8.1085 -7.813019 10.98901 
1 1 1   -8   28   13 o  379.514   6.5582  498.819   17.226  506.741   19.767  473.805   35.123  382.471   7.4673  369.385   13.738 13.08603 15.63650 
1 1 1   -8   28   14 o  174.974   7.3204  106.094   8.8652  104.526   10.131  111.219   18.314  173.637   8.4303  178.138   14.994 -4.501495 17.20105 
1 1 1   -8   28   15 o   96.413   12.182   32.838   7.9473   38.878   8.8875   8.7366   17.753  104.986   12.476   66.076   26.156 38.90938 28.97929 
1 1 1   -8   28   16 o   48.024   19.243   3.9965   9.7225   11.227   12.501  -7.0732   15.467   61.900   22.526   48.747   21.918 13.15273 31.42944 
1 1 1   -8   28   17 o  231.561   6.4925  186.009   10.405  185.391   11.815  188.146   21.969  231.094   7.3868  231.511   13.773 -0.4171143 15.62859 
1 1 1   -8   28   19 o   48.846   18.228   6.6302   8.2732   10.750   9.1830 -11.1268   19.064   56.793   19.426   51.730   23.678 5.062790 30.62726 
1 1 1   -8   28   20 o   57.025   19.695   10.927   9.4468   19.175   10.775 -16.4732   19.639   71.617   20.621   49.295   23.066 22.32238 30.94019 
1 1 1   -8   30    1 o  1948.19   13.186 13145.30  177.800 12911.40  246.503 13398.95  256.703  1930.02   18.454  1966.05   18.865 -36.03027 26.38999 
1 1 1   -8   30    2 o  638.527   7.8748  1411.33   34.801   0.0000   0.0000  1411.33   34.801  ?   ?   638.527   7.8748 0.000000 7.874754 
1 1 1   -8   30    3 o  622.061   6.2703  1339.33   26.996  1303.42   45.486  1358.86   33.543  613.564   10.711  626.553   7.7351 -12.98901 13.21216 
1 1 1   -8   30    4 o  311.151   7.0489  335.102   15.180   0.0000   0.0000  335.102   15.180  ?   ?   311.151   7.0489 0.000000 7.048942 
1 1 1   -8   30    5 o  1136.92   8.1845  4474.28   64.402  4393.27   89.385  4561.74   92.871  1126.44   11.465  1147.82   11.690 -21.38269 16.37416 
1 1 1   -8   30    6 o  1270.21   8.9768  5585.20   78.918  5584.62  111.486  5585.77  111.727  1269.94   12.684  1270.07   12.710 -0.1292725 17.95659 
1 1 1   -8   30    7 o  477.375   5.0355  788.708   16.637  791.740   23.352  785.583   23.708  478.266   7.0548  476.401   7.1904 1.865295 10.07332 
1 1 1   -8   30    8 o  968.147   7.2488  3244.53   48.572  3176.00   67.133  3319.82   70.362  957.738   10.128  979.169   10.382 -21.43115 14.50406 
1 1 1   -8   30    9 o  927.617   13.851  2981.46   88.924  2981.46   88.924   0.0000   0.0000  927.617   13.851  ?   ?  0.000000 13.85079 
1 1 1   -8   30   12 o  443.890   6.3720  682.269   19.576  769.756   34.337  640.137   23.828  471.249   10.528  429.892   8.0085 41.35764 13.22750 
1 1 1   -8   30   13 o  406.327   5.4683  571.708   15.378  575.187   21.058  567.732   22.511  407.450   7.4674  404.763   8.0355 2.686554 10.96952 
1 1 1   -8   30   14 o  315.999   5.3286  345.838   11.654  358.001   13.453  309.268   23.328  321.470   6.0466  298.400   11.295 23.06995 12.81190 
1 1 1   -8   30   15 o  110.999   11.534   43.307   8.7318   40.633   10.351   49.902   16.259  107.016   14.336  117.473   20.757 -10.45713 25.22618 
1 1 1   -8   30   16 o  155.080   7.8158   83.683   8.3619   81.474   9.4250   91.854   18.125  152.883   8.9462  161.051   16.493 -8.167679 18.76310 
1 1 1   -8   30   17 o  113.560   13.798   45.794   10.622   46.816   13.001   43.741   18.420  114.118   16.977  108.288   25.072 5.829971 30.27915 
1 1 1   -8   30   18 o  135.618   10.202   64.523   9.5054   64.523   9.5054   0.0000   0.0000  135.618   10.202  ?   ?  0.000000 10.20156 
1 1 1   -8   30   19 o   68.546   17.618   17.392   8.4038   12.522   9.3154   38.683   19.478   59.857   19.549  100.287   27.320 -40.43038 33.59384 
1 1 1   -8   32    1 f  1059.88   10.932  3889.34   80.194  3889.34   80.194   0.0000   0.0000  1059.88   10.932  ?   ?  0.000000 10.93224 
1 1 1   -8   32    2 o  1285.29   10.483  5719.26   93.255  5596.59  111.497  6004.88  170.132  1271.30   12.672  1316.35   18.674 -45.05493 22.56749 
1 1 1   -8   32    3 o  337.089   6.8437  393.294   15.967  393.294   15.967   0.0000   0.0000  337.089   6.8437  ?   ?  0.000000 6.843652 
1 1 1   -8   32    4 o  537.527   5.1668  999.982   19.222  997.575   27.048  1002.44   27.323  536.852   7.2794  538.158   7.3357 -1.306274 10.33453 
1 1 1   -8   32    5 o  827.517   6.4691  2370.14   37.051  2325.39   51.450  2418.35   53.400  819.601   9.0700  835.817   9.2310 -16.21545 12.94127 
1 1 1   -8   32    6 o  1199.87   9.8667  4984.28   81.938  4943.87   99.714  5068.29  143.780  1194.87   12.058  1209.42   17.177 -14.54370 20.98649 
1 1 1   -8   32    7 o  259.094   7.9406  232.383   14.239   0.0000   0.0000  232.383   14.239  ?   ?   259.094   7.9406 0.000000 7.940650 
1 1 1   -8   32    8 o  757.469   6.1849  1986.00   32.424  1939.29   44.595  2038.40   47.228  748.425   8.6092  767.300   8.8932 -18.87476 12.37769 
1 1 1   -8   32    9 o  661.370   5.8047  1514.07   26.571  1527.25   37.419  1500.66   37.736  664.163   8.1403  658.351   8.2817 5.811523 11.61256 
1 1 1   -8   32   10 o  485.760   5.3048  816.776   17.835  801.423   24.264  834.820   26.304  481.118   7.2866  491.025   7.7400 -9.906799 10.63026 
1 1 1   -8   32   11 o  229.596   6.5384  182.517   10.390  187.301   14.012  176.673   15.486  232.539   8.7061  225.815   9.9083 6.724426 13.18980 
1 1 1   -8   32   12 o  638.263   7.9712  1411.33   35.213  1411.33   35.213   0.0000   0.0000  638.263   7.9712  ?   ?  0.000000 7.971201 
1 1 1   -8   32   13 o  480.860   5.3591  800.732   17.836  805.219   24.572  795.737   25.929  482.055   7.3650  479.168   7.8185 2.886658 10.74112 
1 1 1   -8   32   14 o   99.692   13.335   35.193   8.9702   25.332   11.755   48.942   13.880   83.366   20.513  117.065   17.682 -33.69955 27.08185 
1 1 1   -8   32   15 o   47.826   16.819   7.0541   6.9043   8.2573   7.7372   2.3512   15.297   51.229   17.816   56.161   23.494 -4.932354 29.48491 
1 1 1   -8   32   16 o  178.837   6.8670  110.954   8.4997  107.277   9.5097  125.561   18.952  175.783   7.8165  188.871   14.612 -13.08775 16.57100 
1 1 1   -8   32   17 o   50.396   19.755   5.5318   10.035   0.9958   12.224   14.907   17.574   49.139   20.803   71.531   26.592 -22.39215 33.76202 
1 1 1   -8   32   19 o  135.211   9.6413   64.222   8.9633   65.758   10.092   58.488   19.504  136.578   10.764  124.581   23.481 11.99683 25.83054 
1 1 1   -8   34    1 f  331.344   6.9309  380.003   15.894  380.003   15.894   0.0000   0.0000  331.344   6.9309  ?   ?  0.000000 6.930852 
1 1 1   -8   34    2 o  1178.72   9.7455  4809.79   79.505  4670.24  133.551  4886.39   98.949  1161.08   16.619  1187.95   12.035 -26.86926 20.51899 
1 1 1   -8   34    3 o  1814.51   14.276 11402.92  179.285 11354.75  218.410 11502.44  313.915  1810.31   17.432  1820.91   24.908 -10.59607 30.40228 
1 1 1   -8   34    4 o  1064.51   8.9846  3922.74   66.195  3915.12  113.836  3926.64   81.365  1063.13   15.471  1064.95   11.039 -1.818970 19.00553 
1 1 1   -8   34    5 o  559.653   7.5717  1084.17   29.328   0.0000   0.0000  1084.17   29.328  ?   ?   559.653   7.5717 0.000000 7.571650 
1 1 1   -8   34    6 o  237.107   5.8850  194.587   9.6576  200.863   13.581  188.167   13.736  240.881   8.1464  233.141   8.5124 7.740540 11.78242 
1 1 1   -8   34    7 o  1228.66   8.7691  5226.45   74.569  5148.60  103.776  5309.57  107.223  1219.20   12.298  1238.09   12.513 -18.89294 17.54474 
1 1 1   -8   34    8 o  774.190   7.2150  2074.92   38.660  2057.56   65.411  2084.24   47.927  770.679   12.263  775.851   8.9253 -5.172546 15.16716 
1 1 1   -8   34   10 o  789.610   6.4161  2158.56   35.064  2102.16   48.098  2222.53   51.225  779.066   8.9203  801.036   9.2396 -21.97028 12.84291 
1 1 1   -8   34   11 o   96.267   13.679   32.798   8.8575   25.843   11.485   43.007   13.915   84.487   19.959  109.633   19.028 -25.14644 27.57558 
1 1 1   -8   34   12 o  431.435   5.2653  644.510   15.722  664.677   21.816  622.720   22.678  438.024   7.1963  423.938   7.7289 14.08517 10.56042 
1 1 1   -8   34   13 o  591.002   5.6313  1209.78   23.034  1273.52   32.888  1148.41   32.272  606.122   7.8398  575.546   8.1015 30.57611 11.27369 
1 1 1   -8   34   14 o  202.994   7.2605  142.867   10.201  153.905   13.516  128.260   15.548  210.564   9.2743  191.686   11.777 18.87836 14.99011 
1 1 1   -8   34   15 o  375.477   5.0813  488.455   13.205  484.144   14.934  503.902   28.270  373.752   5.7733  380.593   10.732 -6.840942 12.18654 
1 1 1   -8   34   16 o  153.499   7.4924   81.802   7.9598   78.810   8.7431   96.293   19.240  150.367   8.4352  164.574   17.143 -14.20784 19.10615 
1 1 1   -8   34   17 o   94.913   12.735   32.084   8.1544   32.084   8.1544   0.0000   0.0000   94.913   12.735  ?   ?  0.000000 12.73453 
1 1 1   -8   34   18 o  191.785   16.778  131.463   22.047   0.0000   0.0000  131.463   22.047  ?   ?   191.785   16.778 0.000000 16.77807 
1 1 1   -8   34   19 o   55.285   19.305   10.060   9.0891   16.275   10.177 -14.4439   20.207   66.590   20.267   51.309   23.803 15.28063 31.26253 
1 1 1   -8   36    1 o  1164.31   8.3818  4692.50   67.543  4631.57   94.340  4756.57   96.746  1156.56   11.786  1172.06   11.926 -15.49463 16.76718 
1 1 1   -8   36    2 o  1623.47   11.165  9125.55  125.454  8933.92  173.383  9336.13  181.751  1605.94   15.599  1641.65   15.996 -35.71008 22.34312 
1 1 1   -8   36    3 f  177.123   6.8455  108.589   8.3918  109.432   11.454  107.613   12.331  177.547   9.3537  176.010   10.165 1.536560 13.81400 
1 1 1   -8   36    4 o  141.345   11.414   69.630   11.071   69.630   11.071   0.0000   0.0000  141.345   11.414  ?   ?  0.000000 11.41413 
1 1 1   -8   36    5 o  552.716   7.8028  1057.52   29.849   0.0000   0.0000  1057.52   29.849  ?   ?   552.716   7.8028 0.000000 7.802776 
1 1 1   -8   36    7 o   91.599   14.010   29.744   8.5997   21.576   11.920   38.609   12.419   77.678   21.461  104.049   17.890 -26.37082 27.93936 
1 1 1   -8   36    8 o  973.596   7.3261  3281.66   49.366  3282.06   69.664  3281.24   69.966  973.448   10.340  973.323   10.386 0.1252441 14.65562 
1 1 1   -8   36    9 o  609.221   5.6401  1284.79   23.781  1256.67   32.712  1316.32   34.634  602.427   7.8456  616.546   8.1164 -14.11896 11.28841 
1 1 1   -8   36   10 o  398.146   5.3450  548.773   14.729  531.310   19.731  570.752   22.135  391.697   7.2782  405.952   7.8783 -14.25461 10.72565 
1 1 1   -8   36   11 o  616.654   6.5580  1316.95   27.989  1313.55   33.779  1324.39   49.994  615.747   7.9262  617.870   11.691 -2.122986 14.12442 
1 1 1   -8   36   12 o  482.965   5.2950  807.746   17.699  798.079   24.148  818.968   26.018  479.921   7.2700  486.120   7.7330 -6.199158 10.61372 
1 1 1   -8   36   13 o  276.467   6.7273  264.881   12.872  285.268   21.156  252.896   16.221  286.601   10.665  270.012   8.6797 16.58875 13.75085 
1 1 1   -8   36   14 o  122.314   10.288   52.355   8.6287   51.118   11.453   53.979   13.121  120.271   14.023  123.317   15.732 -3.046463 21.07463 
1 1 1   -8   36   15 o  252.128   6.8187  220.499   11.899  209.212   14.321  245.658   21.382  245.439   8.4304  265.532   11.635 -20.09288 14.36796 
1 1 1   -8   36   16 f  270.095   5.9647  253.021   11.150  253.021   11.150   0.0000   0.0000  270.095   5.9647  ?   ?  0.000000 5.964664 
1 1 1   -8   36   17 o   84.670   12.760   25.665   7.2454   29.151   7.8180   4.4459   19.287   90.324   12.870   63.270   26.416 27.05387 29.38470 
1 1 1   -8   36   18 o   79.541   14.706   23.033   7.7979   20.962   8.4489   34.941   20.257   75.395   16.637   95.632   28.480 -20.23602 32.98381 
1 1 1   -8   38    1 o  255.406   6.4381  225.783   11.381  188.683   18.339  249.020   14.513  233.434   11.351  268.215   7.8182 -34.78098 13.78281 
1 1 1   -8   38    2 o  737.995   6.0765  1885.08   31.037  1819.48   42.559  1959.61   45.362  724.979   8.4818  752.372   8.7112 -27.39374 12.15835 
1 1 1   -8   38    3 o  508.757   5.2412  895.837   18.455  879.648   25.508  913.620   26.734  504.106   7.3109  513.744   7.5187 -9.637909 10.48718 
1 1 1   -8   38    4 o  446.431   5.8832  689.826   18.178  713.032   22.556  646.829   30.703  453.857   7.1808  432.210   10.264 21.64691 12.52641 
1 1 1   -8   38    5 o  638.040   6.6048  1409.16   29.166  1397.33   35.086  1435.61   52.472  635.317   7.9793  643.813   11.776 -8.495605 14.22455 
1 1 1   -8   38    6 o  225.056   6.4930  175.330   10.114  163.227   13.938  188.790   14.699  217.117   9.2752  233.503   9.0951 -16.38574 12.99039 
1 1 1   -8   38    7 o  562.268   5.5317  1094.31   21.527  1123.56   30.943  1066.87   29.967  569.664   7.8481  555.109   7.7999 14.55487 11.06487 
1 1 1   -8   38    8 o  467.810   5.2877  757.532   17.121  760.417   23.826  754.451   24.618  468.642   7.3456  466.791   7.6200 1.851105 10.58401 
1 1 1   -8   38    9 o  602.748   5.6238  1257.72   23.461  1241.40   32.234  1276.10   34.212  598.720   7.7787  607.011   8.1434 -8.291260 11.26161 
1 1 1   -8   38   10 o  196.277   8.2522  133.465   11.210  129.877   13.051  143.561   21.892  193.331   9.7856  202.669   15.730 -9.337784 18.52583 
1 1 1   -8   38   11 o  343.973   5.4529  409.711   12.982  418.386   17.710  399.638   19.084  347.503   7.3635  339.585   8.1199 7.918304 10.96145 
1 1 1   -8   38   12 o  239.862   6.3278  199.324   10.505  193.790   13.986  206.487   15.912  236.400   8.5481  243.968   9.4237 -7.568100 12.72305 
1 1 1   -8   38   13 o  262.930   7.8484  239.761   14.282  239.761   14.282   0.0000   0.0000  262.930   7.8484  ?   ?  0.000000 7.848447 
1 1 1   -8   38   14 o  274.367   5.8876  260.903   11.180  260.975   15.206  260.819   16.494  274.224   8.0120  274.073   8.6954 0.1514282 11.82377 
1 1 1   -8   38   15 o  282.985   5.8291  277.648   11.417  293.229   15.562  259.488   16.801  290.608   7.7370  273.234   8.8842 17.37479 11.78096 
1 1 1   -8   38   16 o  275.990   5.4023  264.124   10.319  264.947   11.471  260.634   23.624  276.354   5.9976  272.965   12.504 3.389130 13.86829 
1 1 1   -8   38   17 o  205.969   6.3503  147.316   9.0526  139.217   9.8714  190.146   22.701  200.138   7.1265  231.996   14.206 -31.85759 15.89357 
1 1 1   -8   38   18 o   87.210   15.194   27.707   8.8379   24.235   9.7583   43.551   20.846   80.787   17.921  105.792   28.024 -25.00491 33.26458 
1 1 1   -8   40    1 o  888.920   6.8608  2735.17   42.210  2629.76   57.484  2858.51   62.180  871.517   9.5300  908.614   9.8876 -37.09717 13.73265 
1 1 1   -8   40    2 o  704.308   6.8810  1717.08   33.542  1600.00   54.829  1787.10   42.403  679.701   11.655  718.474   8.5272 -38.77271 14.44137 
1 1 1   -8   40    3 o  1331.16   9.3932  6135.35   86.541  6045.29  120.437  6231.48  124.436  1321.02   13.173  1341.18   13.405 -20.16418 18.79437 
1 1 1   -8   40    4 o  658.011   5.8097  1498.68   26.459  1460.49   36.423  1541.35   38.500  649.505   8.1024  667.235   8.3368 -17.72968 11.62548 
1 1 1   -8   40    5 o   93.399   14.068   30.905   8.8120   32.861   12.092   28.691   12.868   95.659   18.935   89.131   21.173 6.527931 28.40447 
1 1 1   -8   40    6 o  628.936   8.1114  1369.59   35.309  1403.42   49.361  1334.15   50.528  636.502   11.205  620.563   11.764 15.93878 16.24641 
1 1 1   -8   40    7 o  523.018   5.3936  946.888   19.524  930.675   27.106  964.369   28.145  518.453   7.5541  527.748   7.7055 -9.295654 10.79072 
1 1 1   -8   40    8 o  225.739   6.5815  176.432   10.283  164.898   13.594  191.857   15.721  218.188   9.0021  235.332   9.6519 -17.14400 13.19839 
1 1 1   -8   40    9 o  323.324   6.6907  362.007   14.972  348.537   24.749  369.781   18.803  317.054   11.279  326.717   8.3153 -9.663330 14.01258 
1 1 1   -8   40   10 o  687.438   5.9802  1636.54   28.453  1582.19   38.562  1701.48   42.155  675.710   8.2456  700.667   8.6928 -24.95752 11.98139 
1 1 1   -8   40   11 o  203.175   6.8967  143.027   9.6982  135.676   12.698  153.316   15.023  197.787   9.2763  210.197   10.327 -12.40948 13.88138 
1 1 1   -8   40   12 o  437.219   6.1424  662.328   18.587  680.976   30.259  651.028   23.555  442.905   9.8713  433.306   7.8544 9.599396 12.61483 
1 1 1   -8   40   13 o  211.106   6.6560  154.497   9.7251  150.555   13.125  159.297   14.482  208.234   9.1067  214.141   9.7713 -5.906403 13.35699 
1 1 1   -8   40   14 o  368.068   5.3621  469.487   13.660  504.114   19.031  432.694   19.617  381.180   7.2138  353.039   8.0286 28.14102 10.79343 
1 1 1   -8   40   15 o  139.422   10.688   68.129   10.235   75.494   11.546   41.107   22.116  146.673   11.465  104.659   29.346 42.01375 31.50639 
1 1 1   -8   40   16 o  215.193   6.0261  160.692   8.9752  152.720   9.7448  205.268   23.042  209.717   6.7137  241.421   13.848 -31.70432 15.38978 
1 1 1   -8   40   17 o   57.428   18.416   11.570   8.2902   12.016   9.1107   9.4244   19.989   58.888   19.338   68.074   27.480 -9.185925 33.60235 
1 1 1   -8   42    1 o  300.610   5.5638  312.782   11.576  304.320   15.770  322.668   17.046  296.488   7.6851  305.290   8.0672 -8.801453 11.14182 
1 1 1   -8   42    2 o  436.155   5.2424  658.430   15.825  643.679   21.904  674.536   22.889  431.203   7.3395  441.414   7.4920 -10.21109 10.48796 
1 1 1   -8   42    3 o  1128.12   11.587  4408.29   90.466  4332.68  125.985  4488.78  129.985  1117.88   16.283  1137.81   16.506 -19.92957 23.18632 
1 1 1   -8   42    4 o  455.157   5.3649  717.076   16.900  737.398   23.887  696.707   23.915  461.514   7.4783  448.594   7.7025 12.92017 10.73566 
1 1 1   -8   42    5 o  147.898   13.771   76.472   13.934   0.0000   0.0000   76.472   13.934  ?   ?   147.898   13.771 0.000000 13.77080 
1 1 1   -8   42    6 o  1175.73   8.5151  4787.03   69.291  4692.56   95.931  4890.07  100.191  1163.68   11.911  1187.88   12.187 -24.19885 17.04070 
1 1 1   -8   42    7 o  328.155   6.4897  372.836   14.739  363.763   17.342  396.439   27.972  324.105   7.7311  338.186   11.951 -14.08093 14.23351 
1 1 1   -8   42    8 o  161.594   8.4955   90.710   9.4682   99.169   12.759   80.343   14.125  168.778   10.982  151.558   13.611 17.22025 17.48916 
1 1 1   -8   42   10 o  301.423   5.7034  314.658   11.898  313.876   15.948  315.640   17.869  300.953   7.6563  301.745   8.5565 -0.7911377 11.48178 
1 1 1   -8   42   11 o  135.095   11.295   63.837   10.464   54.341   15.465   71.854   14.210  123.320   18.706  142.916   14.570 -19.59666 23.71093 
1 1 1   -8   42   12 o  142.552   8.8287   70.793   8.6677   69.669   11.333   72.377   13.453  141.053   11.715  143.482   13.715 -2.428452 18.03701 
1 1 1   -8   42   13 o  144.673   8.5376   72.920   8.5108   69.460   11.253   77.544   13.009  140.770   11.655  148.610   12.772 -7.839478 17.29065 
1 1 1   -8   42   14 o  366.650   5.3781  465.958   13.648  494.096   18.961  435.709   19.659  377.310   7.2608  354.203   8.0193 23.10721 10.81793 
1 1 1   -8   42   15 o  165.374   7.8615   95.039   8.9981   89.522   11.900  102.405   13.749  159.846   10.820  170.841   11.699 -10.99509 15.93560 
1 1 1   -8   42   16 o  119.172   8.7494   49.721   7.1661   53.576   7.7781   28.073   18.431  123.664   9.1527   87.309   27.397 36.35483 28.88554 
1 1 1   -8   42   17 o  107.257   10.419   40.628   7.6371   37.215   8.2282   61.854   20.520  102.303   11.840  128.125   24.023 -25.82195 26.78244 
1 1 1   -8   44    1 o  483.362   5.2776  808.696   17.656  775.596   24.072  847.233   25.974  473.318   7.3483  494.688   7.5863 -21.36935 10.56171 
1 1 1   -8   44    2 o  254.532   7.0684  224.288   12.452  241.113   15.147  189.219   21.869  263.886   8.2935  233.266   13.604 30.62019 15.93311 
1 1 1   -8   44    3 o  673.024   5.9195  1567.97   27.574  1536.36   38.271  1602.09   39.762  666.111   8.3014  680.203   8.4459 -14.09192 11.84257 
1 1 1   -8   44    4 o  140.019   9.6505   68.226   9.2951   62.969   12.408   74.949   14.032  134.098   13.555  146.366   14.023 -12.26744 19.50354 
1 1 1   -8   44    5 o  726.741   7.0699  1828.65   35.561  1792.19   60.025  1848.37   44.141  719.104   12.060  730.549   8.7300 -11.44403 14.88847 
1 1 1   -8   44    6 o  319.434   5.6477  353.246   12.486  341.727   16.962  366.871   18.447  314.127   7.8017  325.466   8.1894 -11.33902 11.31079 
1 1 1   -8   44    7 o  469.158   5.4649  762.042   17.745  768.092   24.981  755.880   25.212  470.915   7.6645  467.149   7.7978 3.765900 10.93392 
1 1 1   -8   44    8 o  732.939   12.428  1864.39   63.043  1864.39   63.043   0.0000   0.0000  732.939   12.428  ?   ?  0.000000 12.42774 
1 1 1   -8   44    9 o  311.970   5.6168  337.047   12.128  318.234   15.807  363.971   18.910  303.049   7.5362  324.042   8.4317 -20.99258 11.30874 
1 1 1   -8   44   10 o  601.648   5.6619  1253.80   23.577  1197.80   31.563  1324.47   35.461  587.825   7.7581  618.053   8.2898 -30.22766 11.35383 
1 1 1   -8   44   11 o   37.281   16.441  -2.4336   8.2803  -4.6547   10.482   1.2537   13.505   40.469   18.131   52.132   21.956 -11.66243 28.47470 
1 1 1   -8   44   12 o  163.512   7.8528   92.761   8.8869   96.457   11.482   87.241   14.035  166.304   10.023  157.699   12.974 8.605347 16.39412 
1 1 1   -8   44   13 o   54.325   18.023   9.8819   7.9063   9.0108   10.289   11.138   12.355   55.856   20.419   61.511   22.393 -5.654995 30.30443 
1 1 1   -8   44   14 o  135.969   9.2038   64.603   8.6103   51.225   11.144   84.421   13.563  120.233   13.633  154.900   12.765 -34.66779 18.67603 
1 1 1   -8   44   16 o   55.118   19.856   9.3514   9.6785  -7.6829   15.320   20.666   12.486   47.488   21.539   74.940   22.369 -27.45252 31.05273 
1 1 1   -8   44   17 o  121.054   9.2180   51.506   7.6650   44.770   8.2071   97.512   21.447  112.506   10.667  163.314   19.351 -50.80833 22.09661 
1 1 1   -8   46    1 o  629.098   6.6517  1370.14   28.962  1311.71   48.195  1403.17   36.235  615.293   11.317  636.565   8.2244 -21.27191 13.98999 
1 1 1   -8   46    2 o  334.422   7.6912  387.248   17.802  387.248   17.802   0.0000   0.0000  334.422   7.6912  ?   ?  0.000000 7.691232 
1 1 1   -8   46    3 o  562.611   5.5397  1095.73   21.571  1061.28   29.634  1134.55   31.459  553.611   7.7342  572.394   7.9410 -18.78345 11.08498 
1 1 1   -8   46    4 o  301.426   8.3602  314.674   17.441   0.0000   0.0000  314.674   17.441  ?   ?   301.426   8.3602 0.000000 8.360247 
1 1 1   -8   46    5 f  301.589   7.8399  315.018   16.364  315.018   16.364   0.0000   0.0000  301.589   7.8399  ?   ?  0.000000 7.839873 
1 1 1   -8   46    6 o  337.758   5.5784  394.978   13.041  393.469   17.882  396.693   19.058  337.038   7.6658  338.396   8.1374 -1.357697 11.17953 
1 1 1   -8   46    7 o  416.909   6.0699  601.917   17.515  592.449   21.254  621.951   30.917  413.545   7.4258  423.489   10.548 -9.944000 12.89984 
1 1 1   -8   46    8 o  435.670   6.2418  657.437   18.821  635.103   22.247  713.659   35.298  428.120   7.5082  453.458   11.247 -25.33789 13.52295 
1 1 1   -8   46    9 o  118.490   11.946   49.267   9.6627   47.092   11.316   55.122   18.568  115.431   14.483  123.487   22.556 -8.056038 26.80540 
1 1 1   -8   46   10 o  229.895   7.3518  183.224   11.698  167.512   17.461  196.017   15.756  219.229   11.549  237.637   9.5798 -18.40788 15.00479 
1 1 1   -8   46   11 o  258.821   6.0243  232.151   10.791  219.645   13.885  251.231   17.150  251.617   7.9730  268.988   9.2120 -17.37137 12.18318 
1 1 1   -8   46   12 o  367.877   5.3810  468.974   13.701  464.421   18.388  474.657   20.541  365.879   7.2616  369.787   8.0259 -3.907501 10.82340 
1 1 1   -8   46   13 o  314.549   6.2624  343.161   13.634  352.935   16.035  317.659   25.902  318.874   7.2654  301.649   12.406 17.22498 14.37728 
1 1 1   -8   46   14 o  239.165   6.1877  198.466   10.242  225.964   13.802  164.764   15.280  254.995   7.8207  217.430   10.154 37.56540 12.81646 
1 1 1   -8   46   15 o  178.101   9.9983  111.022   12.275  111.022   12.275   0.0000   0.0000  178.101   9.9983  ?   ?  0.000000 9.998324 
1 1 1   -8   46   16 o   60.380   17.882   13.257   8.0024   10.258   10.772   16.952   11.955   57.680   20.922   68.766   22.121 -11.08635 30.44786 
1 1 1   -8   48    1 o  151.317   10.421   79.715   10.847   90.605   12.549   47.546   21.568  161.290   11.313  114.426   27.562 46.86367 29.79331 
1 1 1   -8   48    2 o  737.268   6.2045  1881.96   31.660  1863.34   44.216  1901.54   45.354  733.438   8.7104  740.907   8.8445 -7.468811 12.41356 
1 1 1   -8   48    3 o  152.936   8.7967   81.295   9.2720   82.262   12.640   80.168   13.642  153.563   11.988  151.458   13.144 2.104797 17.79011 
1 1 1   -8   48    4 o  135.944   9.8424   64.383   9.1979   58.394   12.372   71.785   13.754  128.944   14.092  143.127   14.066 -14.18323 19.91065 
1 1 1   -8   48    5 o  453.636   6.2870  712.628   19.739  700.488   33.123  719.314   24.581  449.464   10.648  455.674   7.7941 -6.209961 13.19555 
1 1 1   -8   48    6 o  326.509   5.6097  369.160   12.677  372.634   17.371  365.203   18.542  327.951   7.6531  324.633   8.2526 3.318237 11.25500 
1 1 1   -8   48    7 o  190.529   15.051  127.073   19.686   0.0000   0.0000  127.073   19.686  ?   ?   190.529   15.051 0.000000 15.05120 
1 1 1   -8   48    8 o  289.733   5.8692  290.774   11.769  286.174   16.029  296.156   17.336  287.310   8.0610  292.243   8.5711 -4.933502 11.76620 
1 1 1   -8   48    9 o  218.492   7.7161  165.524   11.668  164.333   13.752  168.585   22.048  217.620   9.1306  219.482   14.597 -1.861618 17.21753 
1 1 1   -8   48   10 o  181.191   7.4311  113.851   9.3189  128.337   11.996   91.808   14.798  192.277   9.0145  161.790   13.334 30.48701 16.09563 
1 1 1   -8   48   11 o   56.803   17.922   11.187   7.8757   7.4516   9.7934   18.024   13.250   52.905   19.815   72.166   23.297 -19.26096 30.58375 
1 1 1   -8   48   12 o  102.397   12.116   37.070   8.4204   46.401   10.783   22.485   13.481  114.384   13.906   78.744   23.179 35.64054 27.03020 
1 1 1   -8   48   13 o  220.155   6.3329  168.161   9.6496  172.369   12.661  162.329   14.905  222.697   8.2144  215.893   9.9754 6.804459 12.92224 
1 1 1   -8   48   14 o  134.617   9.3781   63.435   8.6830   57.070   11.341   72.451   13.498  126.938   13.097  143.014   13.809 -16.07615 19.03183 
1 1 1   -8   48   15 o  205.272   6.7636  146.439   9.6091  144.373   12.652  149.255   14.771  203.489   8.9837  206.653   10.327 -3.164261 13.68797 
1 1 1   -8   50    1 o  140.007   12.608   68.556   12.086   68.556   12.086   0.0000   0.0000  140.007   12.608  ?   ?  0.000000 12.60791 
1 1 1   -8   50    2 o   96.811   13.671   33.174   8.9055   36.272   12.053   29.450   13.216  100.613   17.968   90.112   21.491 10.50080 28.01290 
1 1 1   -8   50    3 o  468.432   6.2616  759.885   20.301  739.024   33.898  771.552   25.349  461.651   10.609  471.924   7.7609 -10.27341 13.14475 
1 1 1   -8   50    4 o  323.272   5.6830  361.879   12.715  366.880   17.373  356.109   18.660  325.410   7.7138  320.562   8.4105 4.848511 11.41224 
1 1 1   -8   50    5 o  436.167   5.3996  658.769   16.300  654.240   22.440  663.828   23.716  434.537   7.4613  437.682   7.8291 -3.144928 10.81511 
1 1 1   -8   50    6 o  217.375   9.6734  163.901   14.553  172.927   19.983  153.707   21.237  222.693   13.022  209.676   14.728 13.01630 19.65903 
1 1 1   -8   50    7 o  437.966   5.3814  664.335   16.312  639.714   22.299  692.675   23.924  429.607   7.4996  447.014   7.7329 -17.40701 10.77226 
1 1 1   -8   50    8 o  402.629   5.4402  561.537   15.160  575.191   21.129  547.050   21.764  407.317   7.4948  397.186   7.9173 10.13126 10.90213 
1 1 1   -8   50    9 o  270.884   6.9202  254.391   12.974  239.171   19.972  265.504   17.066  262.291   11.002  276.571   8.9153 -14.27991 14.16037 
1 1 1   -8   50   10 o  167.652   17.133   99.512   19.601   0.0000   0.0000   99.512   19.601  ?   ?   167.652   17.133 0.000000 17.13326 
1 1 1   -8   50   11 o  145.823   8.6722   74.132   8.7130   59.858   11.089   97.168   14.087  130.419   12.435  166.468   12.314 -36.04898 17.50046 
1 1 1   -8   50   12 o  132.002   10.594   61.095   9.5971   64.814   10.883   48.083   20.355  135.799   11.693  113.340   26.434 22.45887 28.90464 
1 1 1   -8   50   13 f  137.460   8.9684   66.043   8.4856   67.710   11.120   63.720   13.130  138.717   11.691  133.961   14.386 4.755707 18.53807 
1 1 1   -8   50   14 o   28.344   13.785 -14.8833   8.6051 -14.5317   12.253 -15.2255   12.087   37.118   17.625   36.365   17.335 0.7530861 24.72108 
1 1 1   -8   50   15 o  118.952   10.129   49.845   8.2598   38.217   10.587   67.933   13.204  102.768   15.355  138.012   14.018 -35.24383 20.79166 
1 1 1   -8   52    1 f  375.944   5.4176  489.396   14.096  487.445   19.480  491.540   20.424  375.087   7.5038  376.639   7.8350 -1.552185 10.84871 
1 1 1   -8   52    2 o  525.909   6.3224  957.957   23.013  953.659   28.038  966.829   40.284  524.616   7.7220  527.871   11.026 -3.254944 13.46143 
1 1 1   -8   52    3 o   70.782   17.559   18.148   8.5608   12.646   11.601   24.727   12.686   63.185   21.824   82.612   21.850 -19.42699 30.88270 
1 1 1   -8   52    4 o  123.460   10.798   53.300   9.1338   49.046   12.232   58.662   13.732  117.725   15.380  128.867   15.723 -11.14162 21.99409 
1 1 1   -8   52    5 o   61.518   18.756   13.265   8.7104   17.657   11.576   7.5317   13.225   70.861   21.626   58.496   22.747 12.36438 31.38709 
1 1 1   -8   52    6 o  291.231   6.7725  293.916   13.651  293.596   16.251  294.683   25.161  290.988   8.0690  291.129   12.487 -0.1407776 14.86755 
1 1 1   -8   52    7 o  157.374   10.155   86.360   11.002   81.561   18.317   89.069   13.761  151.707   17.782  159.518   12.566 -7.811218 21.77433 
1 1 1   -8   52    8 o  189.992   8.7037  125.280   11.445  114.537   18.048  132.506   14.802  180.621   14.561  194.917   11.017 -14.29645 18.25917 
1 1 1   -8   52    9 f   92.051   14.220   30.258   8.7678   39.688   11.305   16.021   13.890  105.345   16.008   69.862   23.892 35.48347 28.75934 
1 1 1   -8   52   10 o   69.721   17.768   17.742   8.5991   30.238   11.160  -0.5178   13.490   91.137   18.328   50.237   21.577 40.89973 28.31083 
1 1 1   -8   52   11 o   44.775   18.922   0.7829   10.086   0.7829   10.086   0.0000   0.0000   44.775   18.922  ?   ?  0.000000 18.92240 
1 1 1   -8   52   12 o  117.641   10.362   48.612   8.3506   42.526   10.681   58.181   13.393  109.152   14.497  127.728   15.465 -18.57644 21.19748 
1 1 1   -8   52   13 o  117.909   10.394   48.898   8.3950   53.773   11.253   42.780   12.607  123.059   13.430  108.614   17.355 14.44531 21.94436 
1 1 1   -8   52   14 o   36.035   15.742  -1.3148   7.4309   11.100   9.8874 -17.4278   11.264   58.047   20.143   33.307   16.095 24.74003 25.78351 
1 1 1   -8   54    1 o  191.956   7.3363  127.691   9.7466  127.147   13.398  128.301   14.205  191.156   10.164  191.964   10.734 -0.8077545 14.78264 
1 1 1   -8   54    2 f  214.287   6.6959  159.096   9.9308  154.278   13.342  165.083   14.871  210.908   9.1399  218.129   9.8502 -7.220917 13.43742 
1 1 1   -8   54    3 o   96.289   14.830   33.022   9.5660   30.374   11.340   39.556   17.811   91.635   18.518  103.963   25.050 -12.32832 31.15143 
1 1 1   -8   54    4 o  211.104   6.9193  154.441   10.110  166.206   13.864  141.081   14.774  218.879   9.1517  201.291   10.642 17.58844 14.03611 
1 1 1   -8   54    5 o  270.528   6.9722  253.663   13.055  254.502   15.727  251.805   23.409  270.879   8.3887  269.057   12.571 1.821869 15.11291 
1 1 1   -8   54    6 o  100.337   13.115   35.638   8.8899   40.276   11.991   29.979   13.246  106.068   16.902   90.553   21.463 15.51465 27.31940 
1 1 1   -8   54    7 o  140.232   9.3527   68.590   9.0253   66.711   12.230   70.837   13.374  137.784   12.977  141.882   13.794 -4.097504 18.93926 
1 1 1   -8   54    8 o  184.700   7.6035  118.360   9.7198  112.737   13.339  124.726   14.193  179.708   10.774  189.036   10.894 -9.328201 15.32176 
1 1 1   -8   54    9 o  338.175   5.5949  396.388   13.095  405.164   18.165  386.892   18.895  341.658   7.6819  333.798   8.1789 7.860016 11.22078 
1 1 1   -8   54   10 o  375.430   5.4858  488.615   14.254  469.662   18.986  513.100   21.580  367.804   7.4583  384.322   8.1129 -16.51877 11.02022 
1 1 1   -8   54   11 o  200.159   7.8327  139.215   10.851  147.334   12.576  115.561   21.465  205.798   8.8292  180.117   17.437 25.68112 19.54502 
1 1 1   -8   54   12 f  210.626   6.8188  154.079   9.9403  147.978   12.851  163.169   15.685  206.136   9.0073  216.218   10.481 -10.08202 13.81961 
1 1 1   -8   54   13 o  229.309   7.2733  182.855   11.543  187.171   17.265  179.367   15.523  231.327   10.784  226.643   9.8956 4.683502 14.63613 
1 1 1   -8   56    1 o  143.861   10.735   72.276   10.611   71.220   18.641   72.782   12.907  141.311   19.586  144.051   13.089 -2.739960 23.55681 
1 1 1   -8   56    2 o  173.734   7.6926  104.653   9.2498  109.737   12.729   98.964   13.465  177.461   10.409  168.344   11.628 9.117157 15.60617 
1 1 1   -8   56    3 o   86.899   14.687   27.034   8.5187   46.350   11.665   4.9557   12.470  114.321   15.113   54.210   21.768 60.11139 26.49975 
1 1 1   -8   56    5 o  114.103   11.657   45.755   9.0766   55.946   12.254   33.368   13.510  125.858   14.323   95.581   20.997 30.27760 25.41662 
1 1 1   -8   56    6 o  170.978   7.9752  101.435   9.4375   86.087   12.617  120.933   14.220  156.842   11.707  186.132   11.089 -29.28920 16.12490 
1 1 1   -8   56    7 o  207.192   6.8395  148.880   9.8079  123.843   13.147  180.297   14.728  188.459   10.117  227.794   9.3414 -39.33455 13.76990 
1 1 1   -8   56    8 o  342.210   6.6327  406.184   15.709  412.829   27.205  402.860   19.242  344.228   11.419  340.607   8.1622 3.621002 14.03607 
1 1 1   -8   56    9 o  270.470   6.1249  253.710   11.466  258.933   15.559  247.503   16.961  272.998   8.2347  266.776   9.1860 6.222473 12.33665 
1 1 1   -8   56   10 o   65.361   19.569   15.353   9.5447   18.398   10.885   5.2195   19.857   71.169   20.793   64.964   26.937 6.205132 34.02840 
1 1 1   -8   56   11 o  160.546   8.4301   89.922   9.3344   81.243   12.333  101.563   14.282  151.969   11.818  169.924   12.226 -17.95508 17.00442 
1 1 1   -8   56   12 o   46.935   19.345   2.7669   10.157  -2.9571   12.448   14.166   17.567   45.681   20.151   70.182   26.486 -24.50160 33.28061 
1 1 1   -8   56   13 o  139.759   9.0940   68.473   8.7487   67.410   11.221   70.121   13.972  138.047   11.859  140.044   14.631 -1.997070 18.83350 
1 1 1   -8   58    1 o  281.322   5.8028  274.223   11.298  282.941   15.825  265.160   16.136  285.594   8.0062  276.439   8.4338 9.155792 11.62872 
1 1 1   -8   58    2 o  156.485   8.4708   85.222   9.1401   87.954   12.685   82.272   13.181  158.590   11.638  153.222   12.540 5.368332 17.10812 
1 1 1   -8   58    3 f   93.685   13.565   31.218   8.5398   24.369   11.583   39.373   12.640   81.658   20.520  104.535   18.127 -22.87687 27.38023 
1 1 1   -8   58    4 o  239.475   6.5824  198.821   10.910  203.254   14.787  193.525   16.163  241.953   8.8301  235.992   9.8956 5.961075 13.26248 
1 1 1   -8   58    5 o  276.593   5.9816  265.175   11.451  279.091   15.563  248.747   16.909  283.584   7.9291  267.600   9.1296 15.98358 12.09213 
1 1 1   -8   58    6 o  185.049   8.5466  118.926   10.946  137.024   17.566  107.438   13.995  197.768   12.904  175.244   11.605 22.52422 17.35475 
1 1 1   -8   58    7 o  214.917   6.7619  160.237   10.058  170.451   13.664  148.158   14.859  221.460   8.9150  206.045   10.454 15.41457 13.73905 
1 1 1   -8   58    8 o  127.504   10.441   56.998   9.1328   57.543   12.232   56.312   13.729  127.441   14.104  125.598   16.169 1.843285 21.45603 
1 1 1   -8   58    9 o   39.938   18.629 -11.4772   12.646  -5.0634   17.312 -18.8146   18.517   53.138   23.586   47.021   22.127 6.117149 32.34067 
1 1 1   -8   58   10 o  178.538   7.8194  110.820   9.6623  116.716   12.751  102.868   14.807  182.667   10.125  170.936   12.605 11.73091 16.16817 
1 1 1   -8   58   11 o   92.419   13.796   30.673   8.5544   36.760   11.144   21.939   13.348  100.638   16.576   77.231   23.145 23.40696 28.46893 
1 1 1   -8   58   12 o  160.641   8.2335   90.158   9.1233  100.368   12.046   76.423   13.972  169.064   10.344  146.518   13.946 22.54652 17.36394 
1 1 1   -8   60    1 o  436.194   5.3769  659.274   16.232  664.542   22.665  653.726   23.259  437.669   7.4821  434.054   7.7424 3.614655 10.76696 
1 1 1   -8   60    2 o  106.710   13.809   40.392   9.9592   15.566   16.310   55.153   12.576   71.528   25.775  124.763   14.856 -53.23585 29.74981 
1 1 1   -8   60    3 o  232.520   9.3565  187.873   15.057  182.244   20.190  194.927   22.602  228.244   12.833  235.859   13.907 -7.615234 18.92362 
1 1 1   -8   60    4 f  123.930   10.550   53.825   8.9632   44.064   12.025   66.029   13.446  111.016   16.121  136.689   14.431 -25.67272 21.63648 
1 1 1   -8   60    5 o   32.988   15.241  -6.5524   8.1612  -0.6562   10.879 -14.1429   12.343   44.956   19.344   37.745   17.854 7.211239 26.32430 
1 1 1   -8   60    6 f  144.232   9.0048   72.602   8.9441   68.917   12.084   77.066   13.301  139.931   12.613  147.937   13.127 -8.005463 18.20443 
1 1 1   -8   60    7 o   99.499   13.107   35.205   8.8065   35.239   11.866   35.164   13.139   98.445   18.082   97.890   20.068 0.5550385 27.01261 
1 1 1   -8   60    8 o  106.772   12.009   40.330   8.7207   43.456   11.709   36.436   13.069  110.047   15.828   99.667   19.644 10.37942 25.22758 
1 1 1   -8   60    9 o  138.080   9.7865   66.791   9.2920   65.241   12.489   68.712   13.907  135.722   13.474  139.030   14.674 -3.308273 19.92142 
1 1 1   -8   60   10 f  148.880   8.9362   77.511   9.1655   77.866   11.917   76.997   14.342  148.679   11.674  147.212   14.255 1.467255 18.42498 
1 1 1   -8   60   11 f  116.307   12.470   48.070   9.8818   38.268   14.571   56.417   13.447  101.068   21.492  125.164   15.879 -24.09564 26.72194 
1 1 1   -8   62    1 o  155.973   8.4359   84.746   9.0727   84.894   12.229   84.565   13.531  155.683   11.429  155.159   12.712 0.5234985 17.09449 
1 1 1   -8   62    2 o  137.554   11.118   66.333   10.495   66.733   12.575   65.415   19.050  137.577   13.375  134.368   21.187 3.209229 25.05536 
1 1 1   -8   62    3 o  373.299   6.4120  483.336   16.566  511.707   28.355  468.633   20.413  383.324   10.688  367.340   8.0288 15.98428 13.36758 
1 1 1   -8   62    4 o  242.848   6.4032  204.574   10.762  217.852   15.012  190.531   15.438  250.358   8.6634  234.027   9.5312 16.33119 12.88010 
1 1 1   -8   62    5 o  215.839   6.7535  161.670   10.089  157.797   13.855  166.042   14.720  212.958   9.3998  218.408   9.7379 -5.449738 13.53456 
1 1 1   -8   62    6 o  210.408   7.9214  153.842   11.536  164.318   13.977  131.463   20.429  217.285   9.2943  192.801   15.439 24.48389 18.02075 
1 1 1   -8   62    7 o  139.802   9.6659   68.408   9.2952   57.979   12.482   81.391   13.926  127.722   14.370  151.816   13.391 -24.09357 19.64257 
1 1 1   -8   62    8 o  154.025   9.8384   83.056   10.433   94.013   12.493   57.805   18.966  163.661   11.095  124.972   22.766 38.68909 25.32606 
1 1 1   -8   62    9 o   83.910   15.028   25.564   8.4071   19.049   11.028   34.603   12.990   71.975   20.902   96.621   20.080 -24.64530 28.98453 
1 1 1   -8   62   10 o   94.271   21.572   33.400   13.770   0.0000   0.0000   33.400   13.770  ?   ?    94.271   21.572 0.000000 21.57176 
1 1 1   -8   64    1 o  149.700   8.7234   78.175   8.9991   85.751   12.030   68.550   13.560  156.424   11.186  139.173   14.280 17.25166 18.13922 
1 1 1   -8   64    2 o  277.826   5.9495  267.703   11.440  266.916   15.744  268.585   16.652  277.141   8.2078  277.940   8.6563 -0.7995605 11.92898 
1 1 1   -8   64    3 o  104.001   12.387   38.319   8.7410   46.802   11.980   28.660   12.782  114.412   15.530   88.028   21.227 26.38372 26.30173 
1 1 1   -8   64    4 o  188.943   10.698  124.884   13.933   0.0000   0.0000  124.884   13.933  ?   ?   188.943   10.698 0.000000 10.69838 
1 1 1   -8   64    5 o   48.581   18.160   6.4105   8.2184   9.5575   11.025   2.4750   12.329   57.379   21.113   50.799   21.158 6.580482 29.88947 
1 1 1   -8   64    6 o   95.577   13.617   32.675   8.7532   35.870   11.847   28.834   12.990   99.178   17.918   88.040   21.503 11.13750 27.98997 
1 1 1   -8   64    7 o   60.149   21.492   11.356   11.317   11.356   11.317   0.0000   0.0000   60.149   21.492  ?   ?  0.000000 21.49209 
1 1 1   -8   64    8 o   55.763   18.451   10.657   8.2882   10.104   10.961   11.396   12.665   57.813   21.085   61.580   22.633 -3.766830 30.93237 
1 1 1   -8   64    9 o   88.211   14.672   28.223   8.6427   25.181   11.357   32.408   13.322   81.992   20.156   92.876   21.193 -10.88459 29.24679 
1 1 1   -8   66    1 o   93.183   19.971   32.013   12.492   34.737   15.874   27.580   20.248   96.400   23.908   87.806   28.828 8.594376 37.45222 
1 1 1   -8   66    2 o   94.124   13.717   31.700   8.6730   39.785   11.835   22.321   12.746  104.907   16.872   77.934   22.425 26.97278 28.06307 
1 1 1   -8   66    3 o  232.827   6.5919  188.202   10.622  196.169   14.770  179.666   15.288  237.372   8.9902  227.052   9.7285 10.32074 13.24644 
1 1 1   -8   66    4 o  242.319   6.3534  203.842   10.656  220.067   15.017  187.389   15.122  251.444   8.6289  231.896   9.4220 19.54779 12.77626 
1 1 1   -8   66    5 o   65.724   17.942   15.847   8.3902   18.739   11.660   12.742   12.082   71.761   21.662   62.943   22.236 8.818436 31.04327 
1 1 1   -8   66    6 o   93.480   13.574   31.346   8.5254   30.219   11.263   32.859   13.046   90.505   18.603   93.959   20.626 -3.453964 27.77601 
1 1 1   -8   66    7 f  144.706   9.0294   73.326   8.9980   87.561   11.970   54.830   13.644  157.747   11.033  123.249   16.402 34.49833 19.76761 
1 1 1   -8   68    1 o   93.724   14.752   31.657   9.2526   44.662   12.690   16.895   13.520  111.073   17.052   70.033   23.573 41.03977 29.09427 
1 1 1   -8   68    2 o  177.928   7.8912  110.138   9.7177  107.119   13.349  113.543   14.174  174.680   11.099  179.781   11.451 -5.100922 15.94712 
1 1 1   -8   68    3 o  200.570   7.2943  139.868   10.126  139.366   13.958  140.425   14.712  199.526   10.141  200.164   10.658 -0.6379852 14.71160 
1 1 1   -8   68    4 o   76.550   16.793   21.579   8.6524   37.010   11.558   1.9032   13.051  100.747   17.192   51.236   21.582 49.51114 27.59241 
1 1 1   -8   68    5 o  172.301   9.7000  104.016   11.520   99.268   18.395  107.080   14.778  166.498   16.166  174.176   12.338 -7.678009 20.33678 
1 1 1   -8   70    1 f   96.584   13.730   33.509   8.9197   30.513   12.346   36.780   12.901   90.396   20.238   99.675   19.398 -9.279472 28.03326 
1 1 1   -8   70    2 o  175.027   11.058  107.756   13.327  116.585   18.671   98.585   19.029  180.871   15.051  165.610   16.835 15.26138 22.58250 
1 1 1   -7    1    1 o  2886.58   19.158 28850.49  382.754 29164.81  547.990 28551.08  534.840  2901.44   27.289  2870.80   26.918 30.64746 38.33083 
1 1 1   -7    1    2 o  3398.01   22.475 39988.50  528.576 40087.95  749.779 39890.24  745.282  3400.89   31.854  3392.51   31.741 8.377441 44.96861 
1 1 1   -7    1    3 o  3139.71   20.802 34137.93  452.044 34236.49  641.284 34040.59  637.308  3143.11   29.479  3134.12   29.380 8.989746 41.61995 
1 1 1   -7    1    4 o  1954.13   13.177 13218.93  178.214 13168.28  250.963 13270.45  253.116  1950.07   18.594  1957.61   18.682 -7.544922 26.35829 
1 1 1   -7    1    5 o  812.678   8.8668  2285.95   49.873  2247.80   69.547  2326.34   71.558  805.793   12.470  819.745   12.613 -13.95264 17.73650 
1 1 1   -7    1    6 o  369.821   6.3718  473.371   16.309   0.0000   0.0000  473.371   16.309  ?   ?   369.821   6.3718 0.000000 6.371784 
1 1 1   -7    1    8 o  839.847   9.1484  2442.42   53.177  2442.42   53.177   0.0000   0.0000  839.847   9.1484  ?   ?  0.000000 9.148410 
1 1 1   -7    1    9 o  1152.53   11.657  4600.12   92.988  4600.12   92.988   0.0000   0.0000  1152.53   11.657  ?   ?  0.000000 11.65727 
1 1 1   -7    1   10 f  422.490   4.7105  617.761   13.774  632.724   19.714  603.490   19.253  427.556   6.6621  417.562   6.6620 9.994293 9.421512 
1 1 1   -7    1   11 o  757.608   6.0921  1986.55   31.944  1992.24   45.249  1980.90   45.103  758.638   8.6178  756.474   8.6145 2.163818 12.18512 
1 1 1   -7    1   12 o  1761.91   13.885 10752.53  169.317 10829.27  295.603 10715.06  206.558  1766.55   24.177  1758.44   16.972 8.108398 29.53969 
1 1 1   -7    1   13 o  434.835   5.0405  654.436   15.170  677.905   21.784  632.340   21.137  442.528   7.1124  427.397   7.1454 15.13147 10.08185 
1 1 1   -7    1   14 o  1116.57   8.1227  4316.84   62.772  4324.41   88.896  4309.30   88.651  1117.23   11.496  1115.28   11.485 1.951782 16.25008 
1 1 1   -7    1   15 f  233.827   6.0833  189.295   9.8448  199.674   13.865  178.740   13.981  240.102   8.3433  227.154   8.8931 12.94855 12.19417 
1 1 1   -7    1   16 o  244.319   6.6442  206.752   11.235  188.732   19.089  216.304   13.897  232.898   11.882  249.847   8.0367 -16.94862 14.34445 
1 1 1   -7    1   17 o   85.407   13.180   25.958   7.5404   21.080   10.653   30.856   10.675   76.216   19.959   92.554   17.300 -16.33873 26.41301 
1 1 1   -7    1   18 o   81.581   16.380   24.096   8.9272   24.249   15.776   24.023   10.828   82.461   25.261   81.097   19.525 1.363640 31.92713 
1 1 1   -7    1   19 o  156.582   7.7363   85.123   8.3840   86.326   11.738   83.870   11.979  157.069   10.864  154.742   11.263 2.326370 15.64862 
1 1 1   -7    1   20 o   82.142   17.014   24.675   9.3542   26.604   11.170   20.146   17.116   84.912   19.428   77.107   26.516 7.805832 32.87165 
1 1 1   -7    1   21 o   39.548   16.682   0.7913   7.8152  -5.9520   10.831   8.1140   11.287   39.759   18.063   55.486   21.161 -15.72678 27.82154 
1 1 1   -7    3    1 o  1663.26   11.301  9575.32  130.097  9674.56  186.055  9480.37  181.982  1671.70   16.081  1654.84   15.889 16.85498 22.60644 
1 1 1   -7    3    2 o  2791.89   18.550 26988.30  358.446 27346.96  514.507 26650.05  499.658  2809.59   26.459  2773.61   26.029 35.98169 37.11541 
1 1 1   -7    3    3 o  2697.76   17.946 25199.23  335.089 25506.46  480.252 24907.76  467.768  2713.40   25.573  2681.41   25.205 31.99219 35.90639 
1 1 1   -7    3    4 o  1240.88   10.059  5329.53   86.387  5396.76  107.182  5204.88  145.942  1248.61   12.403  1226.05   17.199 22.56567 21.20425 
1 1 1   -7    3    5 f  771.091   6.0156  2057.77   32.104  2068.29   64.288  2054.28   37.056  772.954   12.017  770.424   6.9494 2.530090 13.88187 
1 1 1   -7    3    6 o  850.893   7.4942  2506.11   44.135   0.0000   0.0000  2506.11   44.135  ?   ?   850.893   7.4942 0.000000 7.494248 
1 1 1   -7    3    7 o  672.541   6.3900  1565.72   29.744  1599.36   37.013  1504.39   49.978  679.674   7.8681  659.046   10.957 20.62762 13.48920 
1 1 1   -7    3    8 o  727.748   6.7708  1833.40   34.103  1845.07   41.823  1810.24   58.912  729.998   8.2779  722.888   11.775 7.109924 14.39346 
1 1 1   -7    3    9 o  238.208   5.9121  196.399   9.7470  196.453   11.983  196.293   16.757  238.229   7.2675  238.100   10.169 0.1293182 12.49861 
1 1 1   -7    3   10 o  644.182   6.4252  1436.28   28.646  1419.29   34.846  1471.71   50.312  640.331   7.8628  651.964   11.150 -11.63257 13.64344 
1 1 1   -7    3   11 f  1703.57   13.476 10050.23  158.891  9994.41  193.481 10165.85  278.460  1698.53   16.458  1712.09   23.500 -13.55896 28.68982 
1 1 1   -7    3   12 o  594.428   5.3968  1222.94   22.203  1200.95   31.017  1246.06   31.797  589.018   7.6085  599.977   7.6572 -10.95874 10.79455 
1 1 1   -7    3   13 o  964.962   8.3690  3223.76   55.893  3226.63   68.474  3218.05   96.759  965.282   10.249  963.671   14.507 1.610474 17.76248 
1 1 1   -7    3   14 o  757.317   6.1997  1985.39   32.496  2032.39   46.747  1941.44   45.204  766.099   8.8164  748.765   8.7227 17.33337 12.40218 
1 1 1   -7    3   15 o  646.977   6.5522  1449.32   29.339  1450.09   36.064  1447.81   50.452  647.059   8.0530  646.291   11.279 0.7677002 13.85893 
1 1 1   -7    3   16 o  330.797   5.2848  378.895   12.100  398.484   17.475  360.856   16.769  339.144   7.4450  322.732   7.5075 16.41235 10.57306 
1 1 1   -7    3   17 o   96.548   11.817   32.871   7.7313   22.371   11.112   42.724   10.764   78.463   20.305  109.831   14.516 -31.36801 24.96044 
1 1 1   -7    3   18 o  230.392   5.9689  183.958   9.5178  190.539   13.681  177.785   13.250  234.307   8.4362  226.327   8.4587 7.979507 11.94654 
1 1 1   -7    3   19 o  119.280   11.801   50.085   9.6149   53.915   11.615   41.746   17.139  123.425   13.835  106.189   23.897 17.23571 27.61284 
1 1 1   -7    3   20 o  166.515   7.7992   96.374   8.9883   90.564   12.448  102.703   12.992  160.652   11.267  171.176   11.025 -10.52405 15.76350 
1 1 1   -7    3   21 o  247.444   7.1500  212.910   12.245  207.805   20.415  215.779   15.304  243.364   12.120  248.779   8.8880 -5.414871 15.02995 
1 1 1   -7    5    2 o  1302.78   9.0656  5874.15   81.742  5852.47  115.167  5896.16  116.039  1300.29   12.797  1305.13   12.846 -4.843018 18.13254 
1 1 1   -7    5    3 o  172.050   4.7258  102.441   5.6274  106.174   7.8588   98.511   8.0619  175.154   6.4827  168.714   6.9041 6.439789 9.470627 
1 1 1   -7    5    4 o  1699.69   13.349 10000.94  157.032  9760.98  264.548 10131.49  195.126  1678.60   22.771  1710.59   16.481 -31.98389 28.10957 
1 1 1   -7    5    5 o  846.005   6.4231  2477.09   37.609  2422.44   73.314  2496.60   43.813  836.488   12.663  849.315   7.4535 -12.82703 14.69408 
1 1 1   -7    5    6 o  696.452   11.318  1679.51   54.557  1679.51   54.557   0.0000   0.0000  696.452   11.318  ?   ?  0.000000 11.31826 
1 1 1   -7    5    7 o  663.635   5.5563  1524.43   25.521  1592.67   37.199  1463.75   35.077  678.244   7.9245  650.219   7.7945 28.02490 11.11540 
1 1 1   -7    5    8 o  912.197   9.6608  2881.48   60.993  2881.48   60.993   0.0000   0.0000  912.197   9.6608  ?   ?  0.000000 9.660811 
1 1 1   -7    5    9 o  1273.96   8.9777  5618.74   79.159  5636.82   91.695  5565.85  156.835  1275.92   10.384  1267.16   17.883 8.757324 20.67878 
1 1 1   -7    5   10 o  1345.14   9.4306  6263.85   87.797  6284.04  101.724  6204.88  173.839  1347.22   10.910  1338.06   18.771 9.163696 21.71143 
1 1 1   -7    5   11 o  1151.85   8.3115  4592.60   66.260  4630.59   77.201  4486.34  129.118  1156.55   9.6445  1138.00   16.393 18.55273 19.01997 
1 1 1   -7    5   12 o  620.829   6.3606  1334.06   27.330  1349.69   33.582  1303.42   47.034  624.424   7.7704  613.534   11.076 10.89008 13.53026 
1 1 1   -7    5   13 o  674.640   6.7042  1575.50   31.304  1591.66   38.485  1543.90   53.813  678.042   8.2009  667.642   11.646 10.39972 14.24345 
1 1 1   -7    5   14 o  269.392   7.1350  251.253   13.303  251.253   13.303   0.0000   0.0000  269.392   7.1350  ?   ?  0.000000 7.134983 
1 1 1   -7    5   15 o  426.235   5.1727  628.924   15.260  646.103   21.913  612.751   21.262  431.941   7.3301  420.646   7.3031 11.29486 10.34722 
1 1 1   -7    5   16 o  326.503   5.3020  369.128   11.981  382.752   17.224  356.355   16.678  332.376   7.4873  320.709   7.5136 11.66730 10.60725 
1 1 1   -7    5   17 o  212.165   8.7008  156.130   12.776   0.0000   0.0000  156.130   12.776  ?   ?   212.165   8.7008 0.000000 8.700788 
1 1 1   -7    5   18 o  204.315   6.4219  144.707   9.0812  139.316   13.075  149.732   12.622  200.274   9.4331  207.677   8.7814 -7.403046 12.88786 
1 1 1   -7    5   19 o  166.313   8.7634   96.391   10.052   95.861   12.042   97.610   18.255  165.594   10.562  166.015   16.090 -0.4211578 19.24634 
1 1 1   -7    5   20 o   49.316   18.851   6.0836   8.9712   6.4977   11.109   5.3073   15.211   53.365   20.822   58.359   23.819 -4.993641 31.63719 
1 1 1   -7    5   21 o  118.204   10.543   49.239   8.5350   41.642   11.946   57.161   12.198  107.123   16.654  126.571   14.168 -19.44764 21.86496 
1 1 1   -7    7    1 o  2863.15   19.011 28384.56  376.721 28580.26  536.949 28194.85  528.674  2872.17   27.011  2852.76   26.776 19.40308 38.03375 
1 1 1   -7    7    2 o  825.025   8.8298  2355.79   50.419   0.0000   0.0000  2355.79   50.419  ?   ?   825.025   8.8298 0.000000 8.829767 
1 1 1   -7    7    3 o  2533.86   16.908 22229.70  296.522 21092.69  557.772 22677.64  350.092  2466.49   32.674  2559.02   19.767 -92.53442 38.18769 
1 1 1   -7    7    4 o  683.904   6.3786  1618.73   30.192  1650.73   52.577  1602.99   36.880  690.571   11.000  680.555   7.8297 10.01599 13.50237 
1 1 1   -7    7    5 o  1609.60   11.012  8968.82  122.674  8767.96  169.156  9191.65  178.167  1591.20   15.360  1629.16   15.801 -37.95935 22.03626 
1 1 1   -7    7    6 o  908.199   7.8357  2855.26   49.253  2886.27   60.890  2796.58   83.770  913.042   9.6356  898.540   13.470 14.50183 16.56169 
1 1 1   -7    7    7 o  795.344   12.389  2191.71   68.197  2191.71   68.197   0.0000   0.0000  795.344   12.389  ?   ?  0.000000 12.38889 
1 1 1   -7    7    8 f  1268.32   10.311  5570.87   90.512  5682.91  113.044  5370.73  151.083  1280.77   12.753  1244.48   17.541 36.29163 21.68674 
1 1 1   -7    7    9 o  466.765   4.8882  754.043   15.792  760.309   18.279  735.610   31.354  468.691   5.6350  460.940   9.8281 7.751129 11.32894 
1 1 1   -7    7   10 o  688.122   11.575  1639.51   55.127   0.0000   0.0000  1639.51   55.127  ?   ?   688.122   11.575 0.000000 11.57512 
1 1 1   -7    7   11 o  898.857   13.741  2798.05   85.485   0.0000   0.0000  2798.05   85.485  ?   ?   898.857   13.741 0.000000 13.74117 
1 1 1   -7    7   12 o  632.381   6.4456  1384.19   28.211  1406.38   34.775  1341.46   48.247  637.398   7.8828  622.415   11.200 14.98370 13.69581 
1 1 1   -7    7   13 o  914.850   7.0317  2897.28   44.523  2928.27   51.924  2811.22   86.528  919.677   8.1575  900.728   13.880 18.94958 16.09965 
1 1 1   -7    7   14 o  423.800   6.0040  621.743   17.611  648.789   21.714  569.756   30.104  432.888   7.2474  405.551   10.725 27.33658 12.94425 
1 1 1   -7    7   15 o  446.732   6.0432  690.966   18.685  698.352   22.859  676.097   32.434  449.060   7.3550  441.671   10.610 7.388458 12.91014 
1 1 1   -7    7   16 o  409.301   6.3808  580.249   18.076  603.137   23.394  546.341   28.474  417.183   8.1021  396.876   10.366 20.30692 13.15666 
1 1 1   -7    7   17 o  215.573   6.8783  161.054   10.263  159.521   12.215  164.732   18.922  214.477   8.2289  217.281   12.637 -2.804077 15.08018 
1 1 1   -7    7   18 o  184.490   9.1427  118.202   11.674  120.012   15.275  115.659   18.102  185.285   11.976  181.441   14.537 3.844299 18.83459 
1 1 1   -7    7   19 f  221.802   7.3801  170.770   11.329  161.500   13.361  194.488   21.372  215.543   8.9564  235.564   13.162 -20.02094 15.91991 
1 1 1   -7    7   20 o   85.895   16.100   26.824   9.2195   31.790   10.914   14.449   17.228   93.357   17.535   70.508   26.306 22.84846 31.61409 
1 1 1   -7    7   21 o   40.273   17.359  -0.4812   8.7901   6.8532   10.365 -19.2634   16.587   52.410   20.206   43.058   20.463 9.351376 28.75805 
1 1 1   -7    9    1 o  1056.97   7.5827  3866.44   55.470  3798.43   77.131  3939.28   79.832  1047.58   10.638  1066.83   10.812 -19.24268 15.16803 
1 1 1   -7    9    2 o  510.765   9.2076  902.927   32.550  902.927   32.550   0.0000   0.0000  510.765   9.2076  ?   ?  0.000000 9.207617 
1 1 1   -7    9    3 o  1047.65   8.6983  3798.79   63.071  3662.93  105.048  3875.37   78.868  1028.61   14.756  1058.12   10.769 -29.51147 18.26769 
1 1 1   -7    9    4 o  229.241   4.4092  181.866   6.9956  190.771   9.8437  172.779   9.9437  234.781   6.0578  223.435   6.4301 11.34650 8.834238 
1 1 1   -7    9    5 o  1554.39   10.662  8364.39  114.702  8237.98  159.506  8499.77  165.062  1542.31   14.943  1566.60   15.223 -24.29175 21.33157 
1 1 1   -7    9    6 f  186.390   7.6392  120.266   9.8548   0.0000   0.0000  120.266   9.8548  ?   ?   186.390   7.6392 0.000000 7.639172 
1 1 1   -7    9    7 o   89.253   14.865   28.357   8.8597   36.649   11.929   18.156   13.231  101.326   17.652   73.040   23.248 28.28526 29.19016 
1 1 1   -7    9    8 o  485.689   4.9191  816.450   16.536  842.052   23.794  792.534   22.996  493.207   6.9705  478.486   6.9441 14.72101 9.839105 
1 1 1   -7    9    9 f  487.583   5.6891  822.832   19.199  810.379   23.152  850.244   34.350  483.861   6.9135  495.556   10.015 -11.69559 12.16957 
1 1 1   -7    9   10 o  554.528   5.9925  1064.28   22.999  1041.50   27.479  1117.56   42.025  548.544   7.2380  568.150   10.687 -19.60681 12.90756 
1 1 1   -7    9   11 o  576.919   6.1330  1151.97   24.488  1149.27   29.827  1157.56   42.895  576.220   7.4789  578.226   10.719 -2.005493 13.06984 
1 1 1   -7    9   12 o  539.237   6.0911  1006.45   22.733  1021.68   28.016  977.073   38.896  543.278   7.4508  531.207   10.580 12.07092 12.93990 
1 1 1   -7    9   13 o  630.294   7.9230  1375.38   34.563  1375.38   34.563   0.0000   0.0000  630.294   7.9230  ?   ?  0.000000 7.923005 
1 1 1   -7    9   14 o  310.099   6.2144  332.893   13.338  349.590   16.309  299.171   23.177  317.756   7.4156  293.848   11.396 23.90866 13.59653 
1 1 1   -7    9   15 o  364.959   5.5353  461.132   13.982  475.664   16.486  423.902   26.387  370.637   6.4268  349.696   10.903 20.94052 12.65583 
1 1 1   -7    9   16 o  391.374   5.4704  530.422   14.818  532.714   17.407  524.390   28.237  392.169   6.4134  388.793   10.494 3.376099 12.29816 
1 1 1   -7    9   17 o  279.062   6.0624  269.810   11.709  263.995   13.712  285.463   22.499  275.974   7.1791  286.625   11.341 -10.65112 13.42258 
1 1 1   -7    9   18 o  140.197   9.5304   68.598   9.1927   67.285   10.938   71.756   16.963  138.573   11.509  142.000   17.640 -3.427414 21.06256 
1 1 1   -7    9   19 o  139.768   11.176   68.514   10.721   68.514   10.721   0.0000   0.0000  139.768   11.176  ?   ?  0.000000 11.17610 
1 1 1   -7    9   20 o  206.478   7.4270  148.148   10.614  141.994   12.230  166.927   21.362  201.981   8.7486  217.519   14.269 -15.53764 16.73731 
1 1 1   -7    9   21 o  215.419   9.7641  162.104   14.558  175.951   20.619  148.342   20.556  223.128   13.414  204.400   14.628 18.72903 19.84702 
1 1 1   -7   11    1 o  1618.08   11.041  9062.33  123.644  9526.83  260.488  8927.23  140.478  1658.46   22.694  1605.92   12.639 52.53918 25.97585 
1 1 1   -7   11    2 o  797.223   7.0255  2199.61   38.765  2226.34   67.584  2186.51   47.323  801.978   12.176  794.826   8.6024 7.151733 14.90828 
1 1 1   -7   11    3 o  983.585   7.1632  3348.25   48.763  3269.12   67.345  3435.46   70.701  971.842   10.012  996.255   10.254 -24.41333 14.33119 
1 1 1   -7   11    4 o   96.106   10.666   32.367   6.9747   0.0000   0.0000   32.367   6.9747  ?   ?    96.106   10.666 0.000000 10.66562 
1 1 1   -7   11    5 o  623.933   10.660  1347.81   46.035   0.0000   0.0000  1347.81   46.035  ?   ?   623.933   10.660 0.000000 10.66040 
1 1 1   -7   11    6 o  357.116   5.1505  441.412   12.730  421.226   15.203  488.780   23.288  348.839   6.2967  375.719   8.9555 -26.88055 10.94757 
1 1 1   -7   11    7 o  547.081   5.8527  1036.02   22.161  1091.71   39.835  1011.06   26.669  561.436   10.251  540.416   7.1301 21.01984 12.48720 
1 1 1   -7   11    9 o  607.092   10.691  1276.10   44.922  1276.10   44.922   0.0000   0.0000  607.092   10.691  ?   ?  0.000000 10.69116 
1 1 1   -7   11   10 o  436.823   5.6012  660.407   16.934  644.575   20.263  697.073   30.837  431.543   6.7843  448.727   9.9290 -17.18359 12.02552 
1 1 1   -7   11   11 o  909.961   7.9738  2866.21   50.219  2871.94   61.416  2854.63   87.235  910.811   9.7427  907.878   13.883 2.933228 16.96058 
1 1 1   -7   11   12 o  565.988   10.822  1109.27   42.395   0.0000   0.0000  1109.27   42.395  ?   ?   565.988   10.822 0.000000 10.82247 
1 1 1   -7   11   13 o  268.729   5.9886  249.970   11.138  236.807   12.780  291.561   22.717  261.545   7.0599  290.129   11.313 -28.58420 13.33524 
1 1 1   -7   11   14 o  440.914   5.3536  672.939   16.337  684.684   19.144  641.463   31.340  444.723   6.2197  430.305   10.523 14.41736 12.22385 
1 1 1   -7   11   15 o  466.339   7.2986  753.182   23.557  786.341   33.432  720.488   33.197  476.315   10.141  455.907   10.521 20.40799 14.61286 
1 1 1   -7   11   16 o  338.109   6.1441  395.954   14.378  400.028   17.491  387.463   25.249  339.774   7.4377  334.146   10.918 5.628296 13.21049 
1 1 1   -7   11   17 o  506.391   6.6018  888.672   23.138  909.860   29.725  856.097   36.857  512.167   8.3857  496.440   10.727 15.72714 13.61559 
1 1 1   -7   11   18 o  117.651   11.069   48.581   8.9070   51.789   10.468   40.166   16.954  121.256   12.660  104.405   23.969 16.85177 27.10693 
1 1 1   -7   11   19 o   90.188   16.621   29.472   9.9923   45.460   12.901   5.5024   15.797  112.434   17.120   59.658   24.303 52.77509 29.72758 
1 1 1   -7   11   20 o   95.164   14.121   32.479   9.0187   23.304   10.279   63.171   18.800   79.428   18.960  131.282   21.430 -51.85431 28.61387 
1 1 1   -7   11   21 o  132.404   10.320   61.681   9.3822   68.987   10.908   40.907   18.394  139.833   11.369  103.355   25.795 36.47816 28.18952 
1 1 1   -7   13    1 o  1539.74   10.558  8206.08  112.519  8190.25  224.141  8211.42  130.099  1537.76   21.060  1540.19   12.205 -2.426514 24.34074 
1 1 1   -7   13    2 o  954.225   8.0579  3151.43   53.217  3129.76   91.377  3162.55   65.465  950.810   13.886  955.875   9.8953 -5.064331 17.05082 
1 1 1   -7   13    4 o  1458.47   10.067  7363.54  101.618  7085.52  137.797  7695.00  150.454  1430.45   13.918  1490.66   14.583 -60.20618 20.15911 
1 1 1   -7   13    6 o  289.634   4.5453  290.346   9.1116  278.433   12.550  303.626   13.250  283.608   6.3934  296.160   6.4643 -12.55194 9.091942 
1 1 1   -7   13    7 o  366.266   4.6326  464.309   11.743  472.879   16.687  455.901   16.529  369.602   6.5234  362.905   6.5809 6.696716 9.266217 
1 1 1   -7   13    8 o  1548.96   12.342  8309.69  132.313  8321.95  229.744  8303.61  161.849  1548.81   21.432  1548.07   15.106 0.7397461 26.22071 
1 1 1   -7   13    9 o  483.689   5.0139  809.704   16.785  778.538   23.030  845.015   24.514  474.264   7.0161  494.095   7.1684 -19.83090 10.03057 
1 1 1   -7   13   10 o  254.101   5.3471  223.464   9.4037  219.936   10.589  236.634   20.456  252.083   6.0692  261.431   11.306 -9.348587 12.83171 
1 1 1   -7   13   11 o  509.089   7.1669  897.081   25.252  897.081   25.252   0.0000   0.0000  509.089   7.1669  ?   ?  0.000000 7.166881 
1 1 1   -7   13   12 o  600.286   6.3471  1247.28   26.370  1247.28   26.370   0.0000   0.0000  600.286   6.3471  ?   ?  0.000000 6.347061 
1 1 1   -7   13   13 o  322.547   10.789  360.341   24.085   0.0000   0.0000  360.341   24.085  ?   ?   322.547   10.789 0.000000 10.78902 
1 1 1   -7   13   14 o  336.932   6.1626  393.009   14.371  403.294   17.628  372.634   24.813  341.281   7.4632  327.943   10.932 13.33765 13.23669 
1 1 1   -7   13   15 o  446.438   5.4265  690.044   16.767  697.733   19.626  669.268   32.261  448.880   6.3171  439.370   10.609 9.510345 12.34738 
1 1 1   -7   13   16 o  482.729   6.0616  807.138   20.252  812.108   24.563  796.585   35.791  484.112   7.3308  479.093   10.794 5.019104 13.04792 
1 1 1   -7   13   17 o  496.682   5.5359  854.596   19.030  873.133   22.358  805.854   36.255  501.948   6.4358  481.587   10.877 20.36035 12.63841 
1 1 1   -7   13   18 o  115.325   13.110   46.973   10.278   46.973   10.278   0.0000   0.0000  115.325   13.110  ?   ?  0.000000 13.11004 
1 1 1   -7   13   19 f  129.791   10.017   58.995   8.9290   61.236   10.426   52.829   17.294  131.999   11.528  120.179   21.585 11.82088 24.47067 
1 1 1   -7   13   20 o  250.384   12.649  220.244   21.850   0.0000   0.0000  220.244   21.850  ?   ?   250.384   12.649 0.000000 12.64950 
1 1 1   -7   13   21 o  140.983   12.184   70.345   11.772   59.964   14.630   89.415   19.828  128.753   16.819  156.944   18.617 -28.19112 25.08918 
1 1 1   -7   15    1 o  1505.46   11.942  7845.60  124.433  8068.29  221.691  7743.17  150.350  1526.17   20.988  1495.49   14.526 30.68140 25.52440 
1 1 1   -7   15    2 o  977.583   7.1355  3307.57   48.279  3264.23   67.430  3353.16   69.156  971.097   10.033  984.233   10.152 -13.13574 14.27294 
1 1 1   -7   15    3 o  320.005   4.9712  354.400   11.010  341.610   19.214  360.653   13.435  314.152   8.8370  322.810   6.0131 -8.657867 10.68879 
1 1 1   -7   15    4 o  420.058   4.4768  610.666   13.015  612.414   18.321  608.885   18.493  420.641   6.2931  419.427   6.3704 1.214630 8.954605 
1 1 1   -7   15    5 o  473.103   5.3454  774.712   17.503  760.022   21.234  805.854   30.916  468.574   6.5475  482.427   9.2592 -13.85333 11.34030 
1 1 1   -7   15    6 o  844.473   6.4453  2468.67   37.671  2476.46   53.314  2460.91   53.236  845.664   9.1089  843.005   9.1243 2.658936 12.89285 
1 1 1   -7   15    7 o  297.940   4.7843  307.233   9.8656  316.535   13.862  297.685   14.044  302.396   6.6233  293.250   6.9195 9.145813 9.578461 
1 1 1   -7   15    8 o  1023.80   10.632  3629.29   75.339   0.0000   0.0000  3629.29   75.339  ?   ?   1023.80   10.632 0.000000 10.63229 
1 1 1   -7   15    9 o  812.908   6.3858  2287.19   35.928  2257.63   50.165  2318.32   51.480  807.572   8.9752  818.351   9.0891 -10.77887 12.77364 
1 1 1   -7   15   11 o  1194.18   8.5499  4936.69   70.666  4956.65   81.729  4877.56  140.652  1196.53   9.8691  1186.41   17.129 10.11792 19.76882 
1 1 1   -7   15   12 o  721.230   6.0296  1800.49   30.098  1809.43   34.755  1773.66   60.190  722.993   6.9456  715.594   12.153 7.398621 13.99767 
1 1 1   -7   15   13 o  787.211   12.808  2147.32   69.783   0.0000   0.0000  2147.32   69.783  ?   ?   787.211   12.808 0.000000 12.80799 
1 1 1   -7   15   14 f  522.869   10.767  947.317   38.965   0.0000   0.0000  947.317   38.965  ?   ?   522.869   10.767 0.000000 10.76722 
1 1 1   -7   15   15 f  353.119   5.5332  431.740   13.523  427.202   15.716  444.683   26.541  351.223   6.4652  358.108   10.708 -6.885071 12.50876 
1 1 1   -7   15   16 o  451.551   7.3814  706.603   23.069  741.464   33.095  673.659   32.173  462.239   10.345  440.573   10.551 21.66669 14.77618 
1 1 1   -7   15   17 o   52.051   19.362   7.3097   9.3195   7.3097   9.3195   0.0000   0.0000   52.051   19.362  ?   ?  0.000000 19.36179 
1 1 1   -7   15   18 o  117.489   10.630   48.414   8.5505   57.975   10.088   24.020   16.113  128.529   11.461   82.124   25.592 46.40532 28.04070 
1 1 1   -7   15   19 o  250.830   6.7677  218.353   11.749  225.527   14.294  203.415   20.627  254.758   8.1070  240.968   12.410 13.78923 14.82366 
1 1 1   -7   15   20 o  226.230   8.2260  178.094   12.880  177.235   16.218  179.561   21.196  225.312   10.400  225.683   13.634 -0.3705597 17.14753 
1 1 1   -7   15   21 o   81.944   16.290   24.686   8.9133   24.674   10.469   24.717   16.995   81.326   18.950   81.821   26.381 -0.4946823 32.48177 
1 1 1   -7   17    1 o  1549.10   15.028  8309.67  161.128   0.0000   0.0000  8309.67  161.128  ?   ?   1549.10   15.028 0.000000 15.02840 
1 1 1   -7   17    2 o  803.896   6.1658  2236.66   34.306  2181.76   47.435  2296.86   49.673  793.923   8.6327  814.590   8.8106 -20.66779 12.33492 
1 1 1   -7   17    3 o  840.672   9.0081  2446.50   52.413  2446.50   52.413   0.0000   0.0000  840.672   9.0081  ?   ?  0.000000 9.008115 
1 1 1   -7   17    4 o  628.807   7.4516  1368.74   32.430  1368.74   32.430   0.0000   0.0000  628.807   7.4516  ?   ?  0.000000 7.451551 
1 1 1   -7   17    5 o  628.654   5.3253  1367.94   23.170  1323.48   31.895  1417.61   33.716  618.289   7.4535  639.895   7.6129 -21.60559 10.65411 
1 1 1   -7   17    6 o  832.802   6.3970  2400.84   36.872  2318.52   50.439  2495.32   54.036  818.283   8.9061  848.893   9.1972 -30.61047 12.80264 
1 1 1   -7   17    7 o  708.796   6.6440  1739.00   32.593  1695.61   54.711  1762.87   40.580  699.729   11.297  713.596   8.2165 -13.86646 13.96912 
1 1 1   -7   17    8 o  995.389   14.797  3432.20  101.942  3432.20  101.942   0.0000   0.0000  995.389   14.797  ?   ?  0.000000 14.79729 
1 1 1   -7   17    9 o  1436.16   11.549  7141.38  114.797  7404.88  206.775  7023.98  138.021  1461.60   20.441  1424.13   14.003 37.46948 24.77694 
1 1 1   -7   17   11 o  1530.79   12.209  8115.13  129.354  8115.13  129.354   0.0000   0.0000  1530.79   12.209  ?   ?  0.000000 12.20925 
1 1 1   -7   17   12 o  1197.86   9.9108  4968.60   82.166  4968.60   82.166   0.0000   0.0000  1197.86   9.9108  ?   ?  0.000000 9.910802 
1 1 1   -7   17   13 o  557.471   5.4866  1075.73   21.169  1085.95   24.525  1045.85   41.925  560.090   6.3267  549.462   11.024 10.62805 12.71087 
1 1 1   -7   17   14 f  327.468   10.660  371.610   24.159   0.0000   0.0000  371.610   24.159  ?   ?   327.468   10.660 0.000000 10.65956 
1 1 1   -7   17   15 o  491.005   5.4119  834.760   18.391  854.689   21.504  780.488   35.488  496.785   6.2544  474.378   10.809 22.40646 12.48782 
1 1 1   -7   17   16 o  140.536   9.2753   68.807   8.9710   70.381   10.463   64.439   17.431  141.984   10.727  134.443   19.286 7.540970 22.06790 
1 1 1   -7   17   17 f  376.747   5.9801  491.851   15.593  510.972   19.118  453.854   26.951  383.884   7.1956  361.355   10.776 22.52975 12.95760 
1 1 1   -7   17   18 o  254.234   6.2327  224.109   10.967  228.428   12.721  211.610   21.642  256.592   7.1632  245.959   12.757 10.63301 14.63083 
1 1 1   -7   17   19 o   94.410   16.931   32.327   10.657   47.983   13.336   4.6732   17.725  115.445   17.217   61.568   25.482 53.87725 30.75373 
1 1 1   -7   17   20 o  115.327   11.616   47.008   9.1453   50.578   10.470   35.522   18.781  119.393   12.875   96.822   27.006 22.57138 29.91825 
1 1 1   -7   17   21 o   95.222   17.262   33.340   10.957   29.015   13.911   40.410   17.786   87.422   22.766  102.508   25.238 -15.08558 33.98859 
1 1 1   -7   19    1 o  460.134   4.5900  732.741   14.617  715.098   20.371  751.469   20.987  454.541   6.4753  465.957   6.5078 -11.41568 9.180478 
1 1 1   -7   19    2 o  569.784   5.8209  1123.66   22.955  1046.83   37.954  1167.97   28.825  549.877   9.9727  580.887   7.1697 -31.01025 12.28246 
1 1 1   -7   19    3 o  1718.13   11.703 10223.64  139.166  9897.35  189.803 10603.00  204.656  1689.87   16.228  1748.96   16.907 -59.09045 23.43507 
1 1 1   -7   19    4 o  613.366   6.0161  1302.27   25.540  1270.67   30.775  1372.19   45.775  605.838   7.3395  629.446   10.507 -23.60760 12.81687 
1 1 1   -7   19    5 o  509.849   6.8195  899.888   24.064  899.888   24.064   0.0000   0.0000  509.849   6.8195  ?   ?  0.000000 6.819547 
1 1 1   -7   19    7 o  883.367   6.7037  2701.03   40.986  2626.99   56.486  2783.35   59.562  871.080   9.3692  896.620   9.5981 -25.53925 13.41288 
1 1 1   -7   19    8 o  122.200   12.244   52.228   10.217   0.0000   0.0000   52.228   10.217  ?   ?   122.200   12.244 0.000000 12.24436 
1 1 1   -7   19    9 o  722.768   12.007  1808.78   60.064  1808.78   60.064   0.0000   0.0000  722.768   12.007  ?   ?  0.000000 12.00701 
1 1 1   -7   19   10 o  1759.36   13.870 10720.34  168.892 10809.50  208.720 10551.22  287.444  1766.30   17.074  1744.06   23.813 22.23462 29.30127 
1 1 1   -7   19   11 o  175.023   7.7499  106.042   9.3879  111.359   13.152  100.519   13.404  179.014   10.664  169.987   11.460 9.026810 15.65412 
1 1 1   -7   19   12 o  1244.57   8.8695  5363.24   76.400  5415.96   88.926  5214.63  149.298  1250.56   10.274  1226.23   17.592 24.33337 20.37217 
1 1 1   -7   19   14 o  374.798   6.3846  486.386   16.562  503.688   20.760  456.098   27.468  381.351   7.8655  362.746   10.941 18.60492 13.47471 
1 1 1   -7   19   15 o  352.095   7.6198  429.532   18.569  447.561   26.617  412.439   25.917  359.195   10.707  344.802   10.860 14.39362 15.25041 
1 1 1   -7   19   16 o  154.049   9.7969   82.686   10.391   82.686   10.391   0.0000   0.0000  154.049   9.7969  ?   ?  0.000000 9.796926 
1 1 1   -7   19   17 o  135.692   9.1898   64.223   8.5797   74.390   10.045   36.800   16.497  145.987   10.002  100.018   24.113 45.96827 26.10523 
1 1 1   -7   19   18 o  156.586   8.7102   85.449   9.4024   84.316   10.827   88.927   18.962  155.348   10.125  158.085   17.631 -2.736145 20.33188 
1 1 1   -7   19   19 o   59.965   18.366   12.781   8.3394   8.4877   9.5875   26.127   16.903   53.916   19.711   84.716   26.181 -30.79951 32.77097 
1 1 1   -7   19   20 o   42.480   17.534   2.1033   8.3594   1.9405   9.6138   2.6078   16.926   44.895   18.689   58.167   24.544 -13.27234 30.84943 
1 1 1   -7   19   21 o  135.276   12.368   64.988   11.452   76.507   14.367   44.922   18.963  146.243   14.381  107.775   25.770 38.46784 29.51128 
1 1 1   -7   21    1 o  1478.24   10.200  7566.51  104.357  7342.69  142.873  7822.49  152.791  1455.81   14.180  1502.56   14.692 -46.74866 20.41887 
1 1 1   -7   21    2 o  672.026   6.3860  1563.27   29.702  1535.11   35.722  1626.34   53.465  665.905   7.7509  685.258   11.273 -19.35303 13.68044 
1 1 1   -7   21    3 o  119.173   8.2257   49.407   6.7431   34.868   11.368   57.299   8.3757   98.843   17.245  128.282   9.5012 -29.43877 19.68880 
1 1 1   -7   21    4 o   46.168   14.630   7.2508   5.2438   8.5239   7.3671   5.9434   7.4655   51.486   17.401   46.985   17.358 4.501442 24.57862 
1 1 1   -7   21    5 o   63.730   13.223   14.597   5.6413   19.947   7.6201   8.1082   8.3916   74.502   15.290   52.174   18.521 22.32795 24.01733 
1 1 1   -7   21    6 o  870.064   7.6128  2620.53   45.843  2476.58   74.768  2707.24   58.030  845.583   12.776  884.263   9.4819 -38.68005 15.90984 
1 1 1   -7   21    8 o  338.797   4.7927  397.250   11.238  389.074   15.410  406.538   16.424  335.278   6.6410  342.717   6.9242 -7.439514 9.594128 
1 1 1   -7   21    9 o  1026.44   15.217  3649.27  108.103  3649.27  108.103   0.0000   0.0000  1026.44   15.217  ?   ?  0.000000 15.21685 
1 1 1   -7   21   10 o  1009.74   7.4900  3529.22   52.344  3596.30   75.115  3465.90   72.984  1019.16   10.649  1000.52   10.540 18.64233 14.98274 
1 1 1   -7   21   11 o  504.280   5.3429  880.161   18.648  910.493   26.444  850.161   26.300  512.855   7.4501  495.567   7.6678 17.28757 10.69105 
1 1 1   -7   21   12 o  349.220   6.0601  422.149   14.647  440.692   17.689  381.707   26.124  356.788   7.1635  331.956   11.370 24.83203 13.43876 
1 1 1   -7   21   13 o  597.419   6.4654  1235.63   26.733  1242.65   32.337  1220.49   47.515  599.055   7.7993  593.471   11.568 5.584717 13.95161 
1 1 1   -7   21   14 o  260.425   6.0658  234.832   10.933  231.424   12.709  244.537   21.445  258.502   7.1034  265.550   11.668 -7.048584 13.66044 
1 1 1   -7   21   15 o  372.429   10.757  481.268   27.727   0.0000   0.0000  481.268   27.727  ?   ?   372.429   10.757 0.000000 10.75682 
1 1 1   -7   21   16 o   50.826   17.898   7.9257   7.8213   7.3083   9.1020   9.6683   15.291   51.744   19.157   63.803   24.558 -12.05876 31.14589 
1 1 1   -7   21   17 o  141.808   8.9372   70.100   8.7268   70.101   10.229   70.098   16.728  141.612   10.512  140.351   17.609 1.260803 20.50751 
1 1 1   -7   21   18 o  234.266   6.8957  190.420   11.181  189.206   13.319  193.317   20.575  233.386   8.2453  234.969   12.699 -1.583069 15.14094 
1 1 1   -7   21   19 o  194.246   7.3694  131.082   9.9074  134.652   11.300  119.219   20.598  196.771   8.2977  183.148   16.424 13.62253 18.40141 
1 1 1   -7   21   20 o  160.738   8.6409   90.284   9.5777   85.737   10.931  105.317   19.874  156.334   10.157  171.402   16.976 -15.06850 19.78276 
1 1 1   -7   23    1 o  1054.61   7.6460  3850.51   55.809  3693.92   75.663  4037.35   82.649  1032.73   10.586  1079.63   11.061 -46.89893 15.31014 
1 1 1   -7   23    3 o  659.987   7.7642  1508.07   35.466  1508.07   35.466   0.0000   0.0000  659.987   7.7642  ?   ?  0.000000 7.764204 
1 1 1   -7   23    4 o  653.327   6.3438  1477.51   28.685  1462.93   49.733  1484.78   35.114  649.908   11.056  654.887   7.7472 -4.978149 13.50043 
1 1 1   -7   23    5 f  1252.36   8.8434  5430.05   76.652  5267.21  105.026  5615.65  112.128  1233.18   12.305  1273.28   12.724 -40.09680 17.70066 
1 1 1   -7   23    6 o  768.586   8.6200  2044.98   45.854   0.0000   0.0000  2044.98   45.854  ?   ?   768.586   8.6200 0.000000 8.619957 
1 1 1   -7   23    8 o  1223.49   8.6853  5181.69   73.546  5173.95  103.698  5189.53  104.325  1222.40   12.257  1224.23   12.313 -1.836060 17.37328 
1 1 1   -7   23    9 o  1022.15   10.668  3617.21   75.470  3659.02  108.522  3578.05  105.025  1027.79   15.256  1016.37   14.930 11.41595 21.34593 
1 1 1   -7   23   10 o  648.241   6.6119  1454.50   29.665  1378.54   49.493  1497.09   37.059  630.951   11.334  657.626   8.1421 -26.67468 13.95522 
1 1 1   -7   23   12 o  1117.12   9.4289  4321.78   72.901  4494.19   92.495  4039.02  118.450  1138.95   11.734  1079.23   15.858 59.71948 19.72686 
1 1 1   -7   23   13 o  300.486   5.5625  312.571   11.568  320.801   13.369  288.049   23.078  304.400   6.3458  288.290   11.566 16.11005 13.19266 
1 1 1   -7   23   14 o  344.845   6.1389  411.792   14.652  414.032   17.734  406.976   26.007  345.730   7.4114  342.577   10.969 3.152985 13.23773 
1 1 1   -7   23   15 o  147.596   9.8944   75.910   10.049   75.910   10.049   0.0000   0.0000  147.596   9.8944  ?   ?  0.000000 9.894429 
1 1 1   -7   23   16 o  372.778   5.3870  481.370   13.899  488.084   16.123  461.951   27.421  375.308   6.2071  364.628   10.866 10.68002 12.51355 
1 1 1   -7   23   17 o  199.006   8.1826  137.465   11.270  152.490   13.962  109.366   19.093  209.479   9.6302  176.093   15.835 33.38632 18.53374 
1 1 1   -7   23   18 o  121.427   10.360   51.713   8.6231   44.911   9.9378   72.439   17.347  112.640   12.985  142.264   18.022 -29.62393 22.21299 
1 1 1   -7   23   19 o  209.159   7.4351  152.025   10.763  147.610   12.558  164.244   20.891  205.926   8.8114  215.808   14.063 -9.882095 16.59566 
1 1 1   -7   23   20 o  156.099   8.7970   85.227   9.4654   86.626   10.724   80.293   20.136  157.158   9.9101  148.209   20.152 8.948837 22.45724 
1 1 1   -7   25    1 o  441.345   4.6868  674.182   14.316  667.790   19.945  680.974   20.561  439.212   6.5613  443.524   6.6981 -4.311584 9.376340 
1 1 1   -7   25    2 o  1096.60   9.1099  4163.95   69.141  4167.65   84.778  4156.58  119.480  1096.92   11.167  1094.96   15.766 1.954590 19.32009 
1 1 1   -7   25    4 o  775.571   6.1118  2082.01   32.807  2029.90   45.459  2138.66   47.395  765.724   8.5777  785.964   8.7127 -20.24060 12.22647 
1 1 1   -7   25    5 o  1467.14   14.374  7456.52  145.956   0.0000   0.0000  7456.52  145.956  ?   ?   1467.14   14.374 0.000000 14.37381 
1 1 1   -7   25    6 o  535.399   5.8993  992.128   21.860  940.488   37.302  1019.14   26.979  521.198   10.341  542.619   7.1837 -21.42072 12.59121 
1 1 1   -7   25    7 f  845.045   6.5224  2471.60   38.148  2409.14   52.557  2541.14   55.457  834.234   9.1026  856.776   9.3522 -22.54205 13.05071 
1 1 1   -7   25    8 o  547.495   7.4765  1037.53   28.331   0.0000   0.0000  1037.53   28.331  ?   ?   547.495   7.4765 0.000000 7.476517 
1 1 1   -7   25    9 o  1060.05   9.0029  3890.07   66.052  3787.80  111.936  3944.70   81.815  1045.66   15.467  1067.37   11.075 -21.71106 19.02311 
1 1 1   -7   25   10 o  330.053   10.731  377.220   24.512  377.220   24.512   0.0000   0.0000  330.053   10.731  ?   ?  0.000000 10.73058 
1 1 1   -7   25   11 f  469.216   10.110  762.439   32.833  762.439   32.833   0.0000   0.0000  469.216   10.110  ?   ?  0.000000 10.11033 
1 1 1   -7   25   13 o  295.726   5.5529  302.761   11.365  305.749   12.934  292.634   23.810  297.164   6.2887  290.530   11.841 6.634247 13.40753 
1 1 1   -7   25   14 o  292.544   6.2924  296.392   12.740  296.392   12.740   0.0000   0.0000  292.544   6.2924  ?   ?  0.000000 6.292394 
1 1 1   -7   25   15 o  295.284   5.5543  301.992   11.351  305.466   13.114  291.610   22.671  296.937   6.3809  289.777   11.304 7.159882 12.98036 
1 1 1   -7   25   16 o   65.746   20.492   15.101   10.331   8.8728   13.340   24.434   16.329   60.117   22.986   83.066   25.743 -22.94932 34.51114 
1 1 1   -7   25   17 o  226.666   6.5127  178.159   10.217  180.490   11.758  170.976   20.641  228.072   7.4491  220.892   13.567 7.180252 15.47740 
1 1 1   -7   25   18 o  132.950   9.9381   61.882   9.0786   63.619   10.450   56.537   18.335  134.584   11.323  124.227   22.136 10.35674 24.86417 
1 1 1   -7   25   19 o   70.160   17.426   18.120   8.4236   17.591   9.5641   19.951   17.787   69.230   19.259   77.141   27.002 -7.910286 33.16631 
1 1 1   -7   27    1 o  203.167   5.3762  142.867   7.5597  139.167   10.444  146.940   10.957  200.501   7.5259  206.023   7.6841 -5.521912 10.75566 
1 1 1   -7   27    2 o  862.952   7.5821  2577.91   45.285  2518.05   76.662  2610.00   56.123  852.591   12.992  868.228   9.3396 -15.63708 16.00026 
1 1 1   -7   27    3 o  668.161   7.8948  1545.45   36.509  1545.45   36.509   0.0000   0.0000  668.161   7.8948  ?   ?  0.000000 7.894783 
1 1 1   -7   27    4 o  1068.96   8.9393  3955.86   66.137  3815.61  110.116  4035.01   82.718  1049.45   15.160  1079.49   11.071 -30.03394 18.77264 
1 1 1   -7   27    6 o  414.413   5.5597  594.381   15.946  560.000   27.558  611.689   19.552  402.196   9.8998  420.391   6.7200 -18.19543 11.96519 
1 1 1   -7   27    7 o  1011.80   8.6347  3543.75   60.468  3462.93  102.977  3586.28   74.703  999.922   14.880  1017.79   10.605 -17.86353 18.27207 
1 1 1   -7   27    8 o  945.397   10.056  3094.25   65.800  3147.80   95.502  3045.85   90.787  953.332   14.474  937.793   13.987 15.53888 20.12834 
1 1 1   -7   27    9 o  993.744   8.5849  3418.65   59.045  3539.51  105.946  3364.20   71.113  1010.77   15.145  985.712   10.424 25.05292 18.38513 
1 1 1   -7   27   10 o  105.927   14.025   39.556   10.029   32.156   17.069   43.457   12.394   94.623   25.491  110.736   16.690 -16.11283 30.46884 
1 1 1   -7   27   11 o  745.678   6.1890  1924.77   31.941  2031.05   46.729  1831.57   43.761  765.870   8.8156  727.294   8.6935 38.57562 12.38110 
1 1 1   -7   27   12 o  509.366   5.4545  898.132   19.229  946.779   27.298  850.220   27.092  522.905   7.5429  495.509   7.8996 27.39575 10.92242 
1 1 1   -7   27   13 o  303.652   5.4399  319.224   11.433  323.310   13.036  305.610   23.796  305.570   6.1638  296.870   11.581 8.699280 13.11935 
1 1 1   -7   27   14 o  448.935   5.1919  697.872   16.132  719.594   18.662  633.659   32.087  455.828   5.9154  427.351   10.848 28.47672 12.35629 
1 1 1   -7   27   15 o  241.268   5.9597  201.657   9.9518  206.803   11.338  184.390   20.769  244.292   6.7059  229.865   13.109 14.42642 14.72470 
1 1 1   -7   27   16 o  222.294   7.1368  171.350   10.980  177.100   13.331  159.219   19.363  225.894   8.5266  213.361   13.177 12.53345 15.69479 
1 1 1   -7   27   17 o   97.702   16.492   34.380   10.755   26.876   13.523   47.298   17.742   85.474   22.538  113.358   23.390 -27.88450 32.48121 
1 1 1   -7   27   18 o  183.178   7.6656  116.571   9.7185  115.013   11.003  122.098   20.724  181.844   8.7428  185.525   16.305 -3.681030 18.50121 
1 1 1   -7   27   19 o  128.657   10.796   58.242   9.5241   58.242   9.5241   0.0000   0.0000  128.657   10.796  ?   ?  0.000000 10.79567 
1 1 1   -7   27   20 o  227.790   7.4267  180.673   11.709  187.571   13.669  161.658   22.693  231.873   8.5172  212.763   15.518 19.11038 17.70141 
1 1 1   -7   29    1 f  765.494   6.9903  2028.34   37.035  2020.47   45.202  2044.39   64.597  763.961   8.5490  768.321   12.148 -4.360107 14.85426 
1 1 1   -7   29    2 o  401.715   4.7223  558.511   13.129  532.358   17.987  588.333   19.208  392.176   6.6269  412.277   6.7317 -20.10104 9.446236 
1 1 1   -7   29    3 o  1377.74   9.6163  6571.57   91.697  6467.02  127.493  6683.61  131.981  1366.46   13.481  1389.13   13.727 -22.67249 19.23986 
1 1 1   -7   29    5 o  1773.40   12.078 10889.50  148.249 10796.68  207.786 10985.75  211.578  1765.33   17.006  1780.70   17.167 -15.37097 24.16468 
1 1 1   -7   29    6 o  916.463   6.9156  2907.07   43.865  2898.45   61.839  2915.80   62.233  915.022   9.7645  917.755   9.7976 -2.733398 13.83252 
1 1 1   -7   29    7 o  641.392   7.8617  1423.96   34.899  1383.42   49.544  1463.90   49.168  632.110   11.325  650.250   10.925 -18.13971 15.73544 
1 1 1   -7   29    8 o  882.920   13.700  2700.00   83.721  2700.00   83.721   0.0000   0.0000  882.920   13.700  ?   ?  0.000000 13.70043 
1 1 1   -7   29    9 o  1410.85   11.415  6893.35  111.466  6600.00  184.712  7061.37  139.789  1379.56   19.345  1427.66   14.147 -48.10327 23.96637 
1 1 1   -7   29   10 o  652.860   6.7131  1475.45   30.333  1510.24   54.448  1459.79   36.527  660.291   11.914  649.339   8.1276 10.95197 14.42251 
1 1 1   -7   29   11 o  931.539   8.2650  3004.76   53.287  3020.98   93.016  2996.84   65.013  933.479   14.397  930.173   10.099 3.305237 17.58577 
1 1 1   -7   29   12 o  302.345   8.5310  316.618   17.852   0.0000   0.0000  316.618   17.852  ?   ?   302.345   8.5310 0.000000 8.530981 
1 1 1   -7   29   13 o  293.196   6.9910  297.744   14.186  299.062   16.161  293.317   29.617  293.807   7.9475  290.195   14.795 3.612061 16.79477 
1 1 1   -7   29   14 o  297.833   5.3336  307.187   10.994  308.211   12.529  303.756   22.928  298.298   6.0685  295.807   11.199 2.491547 12.73756 
1 1 1   -7   29   15 o  221.221   6.1222  169.567   9.3737  178.952   10.808  141.073   18.832  227.224   6.8723  200.830   13.629 26.39322 15.26376 
1 1 1   -7   29   16 o  153.796   9.1598   82.440   9.7059   89.296   11.595   66.390   17.741  159.909   10.536  136.111   19.380 23.79823 22.05834 
1 1 1   -7   29   17 o   96.660   16.138   33.646   10.416   36.763   12.933   27.893   17.571  100.429   19.307   87.622   26.623 12.80676 32.88682 
1 1 1   -7   29   18 o  119.047   10.557   49.812   8.6080   46.853   9.5740   62.293   19.664  115.125   12.202  130.124   22.658 -14.99914 25.73429 
1 1 1   -7   29   19 o  131.687   9.8282   60.864   8.8931   60.883   9.8763   60.780   20.446  131.487   10.952  127.413   24.067 4.073441 26.44214 
1 1 1   -7   31    1 o  1081.91   9.0603  4052.17   67.844  3968.81   81.295  4243.42  123.137  1070.64   10.971  1106.72   16.076 -36.08276 19.46277 
1 1 1   -7   31    2 o  1451.15   10.071  7290.57  101.148  7102.48  139.025  7502.10  147.435  1432.02   14.027  1471.72   14.474 -39.69458 20.15597 
1 1 1   -7   31    3 o  649.273   6.3915  1459.06   28.721  1436.58   48.732  1471.02   35.553  644.151   10.931  651.901   7.8797 -7.750305 13.47478 
1 1 1   -7   31    6 o  935.018   7.0267  3026.01   45.473  2992.04   63.571  3061.60   65.071  929.668   9.8799  940.409   9.9976 -10.74048 14.05575 
1 1 1   -7   31    7 o  223.410   5.6931  172.748   8.8029  172.623   12.136  172.887   12.788  223.314   7.8521  223.482   8.2674 -0.1678314 11.40204 
1 1 1   -7   31    8 o  248.145   6.8018  213.139   11.682  189.171   19.856  225.825   14.446  233.386   12.337  255.409   8.1723 -22.02319 14.79789 
1 1 1   -7   31    9 o  1378.14   13.686  6580.44  130.540   0.0000   0.0000  6580.44  130.540  ?   ?   1378.14   13.686 0.000000 13.68583 
1 1 1   -7   31   10 o  696.264   11.983  1679.51   57.747  1679.51   57.747   0.0000   0.0000  696.264   11.983  ?   ?  0.000000 11.98335 
1 1 1   -7   31   11 o  561.390   6.4345  1091.08   25.001  1107.81   43.384  1082.77   30.591  565.442   11.086  559.188   7.9042 6.254028 13.61510 
1 1 1   -7   31   12 o  438.044   7.2523  664.526   21.987  664.526   21.987   0.0000   0.0000  438.044   7.2523  ?   ?  0.000000 7.252282 
1 1 1   -7   31   13 o  249.303   6.3044  215.260   10.878  225.426   14.734  203.079   16.128  255.044   8.3472  242.014   9.6284 13.02946 12.74287 
1 1 1   -7   31   14 o   99.820   10.510   34.968   7.1520   36.833   7.9690   27.244   16.215  102.350   11.446   87.076   25.361 15.27344 27.82429 
1 1 1   -7   31   15 o   55.770   17.742   10.687   7.7067   7.8219   8.7714   20.385   16.139   52.003   18.877   77.606   25.750 -25.60302 31.92790 
1 1 1   -7   31   16 o  172.725   6.9610  103.478   8.3215  107.644   9.3298   87.268   18.404  176.125   7.6537  156.801   17.243 19.32463 18.86553 
1 1 1   -7   31   17 o  100.512   10.855   35.610   7.4317   32.208   8.2452   50.341   17.158   95.168   12.846  117.161   21.967 -21.99300 25.44740 
1 1 1   -7   31   18 o   38.237   17.702  -8.8786   11.091  -8.8786   11.091   0.0000   0.0000   38.237   17.702  ?   ?  0.000000 17.70201 
1 1 1   -7   31   19 o   97.215   12.199   33.675   8.0270   30.445   8.8779   48.146   18.790   91.822   14.447  112.660   24.772 -20.83878 28.67678 
1 1 1   -7   33    1 o  687.122   5.7336  1634.07   27.267  1588.78   37.602  1684.29   39.598  677.491   8.0191  697.555   8.2020 -20.06439 11.47079 
1 1 1   -7   33    2 o  465.979   10.086  751.707   32.529   0.0000   0.0000  751.707   32.529  ?   ?   465.979   10.086 0.000000 10.08609 
1 1 1   -7   33    3 o  934.554   8.0978  3023.17   52.378  2996.74   63.754  3078.05   91.871  930.404   9.9006  942.764   14.080 -12.36005 17.21231 
1 1 1   -7   33    4 o  821.778   6.4377  2337.35   36.615  2277.84   50.517  2403.21   53.146  811.190   8.9979  833.207   9.2160 -22.01758 12.88006 
1 1 1   -7   33    5 o  975.560   7.2689  3294.16   49.080  3251.53   68.474  3339.21   70.383  969.130   10.209  982.104   10.355 -12.97424 14.54078 
1 1 1   -7   33    6 f  684.206   6.5977  1620.32   31.243  1654.15   39.089  1560.49   51.989  691.276   8.1701  671.335   11.189 19.94110 13.85443 
1 1 1   -7   33    7 o  930.915   7.0345  2999.69   45.323  2989.51   63.843  3010.02   64.352  929.219   9.9271  932.400   9.9720 -3.180420 14.07083 
1 1 1   -7   33    8 o  413.046   7.3583  590.590   21.036   0.0000   0.0000  590.590   21.036  ?   ?   413.046   7.3583 0.000000 7.358341 
1 1 1   -7   33    9 f  386.868   6.2184  518.077   16.650  557.561   29.651  499.893   20.122  401.230   10.678  379.991   7.6511 21.23917 13.13591 
1 1 1   -7   33   10 o  749.248   12.425  1945.37   64.430  1945.37   64.430   0.0000   0.0000  749.248   12.425  ?   ?  0.000000 12.42478 
1 1 1   -7   33   11 f  447.160   6.1854  692.266   19.143  686.829   31.980  695.301   23.897  445.214   10.379  448.082   7.7056 -2.867920 12.92636 
1 1 1   -7   33   12 o  275.033   6.7542  261.974   12.857  248.788   15.091  296.878   24.553  267.973   8.1369  292.525   12.127 -24.55133 14.60403 
1 1 1   -7   33   13 o  278.706   5.7067  269.015   11.008  258.748   14.816  281.665   16.446  273.241   7.8347  285.058   8.3359 -11.81635 11.43980 
1 1 1   -7   33   14 o  339.553   7.4471  399.684   17.501  397.073   23.848  402.732   25.765  338.186   10.189  340.503   10.933 -2.317444 14.94423 
1 1 1   -7   33   15 o  154.041   7.1431   82.283   7.6156   85.765   8.5948   69.561   16.429  157.029   7.9339  139.902   17.338 17.12683 19.06730 
1 1 1   -7   33   16 o  154.539   7.3622   82.877   7.8745   78.381   8.7600  101.805   17.974  149.985   8.4735  169.800   15.463 -19.81537 17.63287 
1 1 1   -7   33   17 o  133.411   10.895   62.472   9.9721   58.878   11.780   71.561   18.732  129.017   13.387  140.753   19.774 -11.73587 23.87970 
1 1 1   -7   33   18 o   64.726   16.554   15.382   7.4454   17.001   8.0799   6.2732   19.166   67.976   17.169   64.582   26.592 3.393448 31.65274 
1 1 1   -7   33   19 o   94.681   17.542   32.962   11.072   18.319   13.289   66.195   20.019   71.492   23.349  133.216   22.515 -61.72399 32.43617 
1 1 1   -7   35    1 o  2125.62   14.335 15647.67  210.886 15100.55  286.400 16295.62  311.676  2087.40   19.824  2168.27   20.769 -80.87207 28.71121 
1 1 1   -7   35    2 o  2267.55   17.599 17814.18  276.195 17307.32  462.804 18094.56  344.211  2232.61   29.951  2284.63   21.769 -52.01538 37.02588 
1 1 1   -7   35    3 o  384.091   10.334  510.732   27.471   0.0000   0.0000  510.732   27.471  ?   ?   384.091   10.334 0.000000 10.33385 
1 1 1   -7   35    4 o  722.316   5.9804  1805.77   29.898  1837.86   42.677  1774.85   41.897  728.652   8.4625  716.053   8.4540 12.59924 11.96175 
1 1 1   -7   35    5 o  1002.30   8.5581  3477.65   59.368  3456.88   72.479  3520.00  103.497  999.226   10.480  1008.06   14.834 -8.838013 18.16274 
1 1 1   -7   35    6 o  186.287   6.6687  120.119   8.5981  120.715   11.990  119.487   12.336  186.730   9.2778  185.524   9.6405 1.205597 13.37972 
1 1 1   -7   35    7 o  523.184   5.2602  947.386   19.047  926.488   26.426  969.982   27.479  517.341   7.3803  529.342   7.5004 -12.00110 10.52259 
1 1 1   -7   35    8 o  765.964   7.1606  2031.04   37.961  2075.12   65.679  2008.92   46.518  773.968   12.261  761.713   8.8237 12.25482 15.10595 
1 1 1   -7   35    9 o  246.721   6.1366  210.714   10.479  229.269   14.355  189.551   15.331  257.325   8.0603  233.953   9.4683 23.37225 12.43449 
1 1 1   -7   35   10 o  247.447   6.2701  211.979   10.738  212.122   14.400  211.800   16.118  247.489   8.4065  247.277   9.4178 0.2120361 12.62394 
1 1 1   -7   35   11 o  389.317   10.505  525.366   28.305  525.366   28.305   0.0000   0.0000  389.317   10.505  ?   ?  0.000000 10.50468 
1 1 1   -7   35   12 o  302.060   6.5238  316.021   13.639  350.195   23.738  299.181   16.664  317.732   10.795  293.828   8.1941 23.90350 13.55245 
1 1 1   -7   35   13 o  417.499   5.2047  603.640   15.039  600.820   20.455  606.960   22.189  416.391   7.0976  418.466   7.6612 -2.074982 10.44367 
1 1 1   -7   35   14 f  415.969   5.2565  599.363   15.133  609.284   20.772  588.140   22.093  419.224   7.1591  411.822   7.7511 7.402191 10.55137 
1 1 1   -7   35   15 o  122.406   8.4652   52.262   7.1275   46.871   7.9366   74.732   16.204  115.695   10.010  145.193   16.413 -29.49741 19.22470 
1 1 1   -7   35   16 o  140.828   7.8360   69.081   7.6074   74.971   8.3744   41.268   18.197  146.674   8.2833  105.301   25.286 41.37306 26.60842 
1 1 1   -7   35   17 o   66.950   16.427   16.424   7.5549   16.424   7.5549   0.0000   0.0000   66.950   16.427  ?   ?  0.000000 16.42745 
1 1 1   -7   35   18 f   96.760   11.226   33.186   7.3782   34.035   7.9643   28.049   19.595   97.841   12.014   87.495   28.339 10.34653 30.78067 
1 1 1   -7   35   19 o  118.056   11.408   49.397   9.2052   38.048   10.256   96.439   20.879  102.555   14.883  162.621   18.904 -60.06508 24.05959 
1 1 1   -7   37    1 o  1138.60   9.4925  4487.93   74.804  4352.19  125.715  4562.33   93.075  1120.87   16.205  1147.90   11.715 -27.02393 19.99645 
1 1 1   -7   37    2 o  1004.00   7.4433  3489.09   51.722  3387.08   71.040  3604.16   75.452  989.109   10.377  1020.30   10.685 -31.19183 14.89467 
1 1 1   -7   37    3 o  817.103   6.4425  2310.88   36.434  2276.62   50.817  2347.12   52.264  810.953   9.0540  823.410   9.1709 -12.45703 12.88716 
1 1 1   -7   37    4 o  144.021   9.4569   72.119   9.3742   80.895   10.957   48.156   18.106  152.497   10.444  115.747   23.405 36.75055 25.62999 
1 1 1   -7   37    5 o  243.324   6.7501  204.936   11.368  206.439   18.702  204.055   14.316  244.166   11.067  242.783   8.5195 1.382797 13.96639 
1 1 1   -7   37    6 o  615.580   5.5714  1311.58   23.737  1363.07   34.300  1264.25   32.884  627.489   7.8979  604.317   7.8621 23.17200 11.14400 
1 1 1   -7   37    7 o  751.346   7.0914  1954.23   36.876  1960.00   62.961  1951.22   45.497  752.210   12.094  750.700   8.7566 1.510498 14.93104 
1 1 1   -7   37    8 o  364.206   5.2416  459.131   13.213  473.793   18.577  444.119   18.796  369.939   7.2554  358.160   7.5826 11.77899 10.49457 
1 1 1   -7   37    9 o  268.851   5.9080  250.219   10.993  254.572   14.972  245.126   16.194  271.142   7.9781  266.046   8.7946 5.095886 11.87417 
1 1 1   -7   37   10 o  257.626   7.1505  229.836   12.750  210.098   20.226  242.851   16.424  246.170   11.871  264.769   8.9624 -18.59872 14.87464 
1 1 1   -7   37   11 o   84.209   15.066   25.380   8.4587   12.670   11.052   43.353   13.142   62.705   21.313  110.231   17.835 -47.52612 27.79072 
1 1 1   -7   37   12 o  382.094   6.1529  505.688   16.271  494.146   27.256  512.080   20.282  377.386   10.435  384.407   7.6234 -7.021332 12.92304 
1 1 1   -7   37   13 o  120.418   11.449   50.833   9.4271   47.937   14.330   53.043   12.517  115.685   18.523  122.471   15.086 -6.785492 23.88872 
1 1 1   -7   37   14 o  209.764   6.5602  152.525   9.5242  153.091   12.774  151.817   14.291  210.012   8.7886  209.054   9.8772 0.9583588 13.22114 
1 1 1   -7   37   15 o  330.918   4.9651  379.416   11.372  380.505   12.777  375.268   24.941  331.341   5.5716  328.332   10.975 3.008911 12.30860 
1 1 1   -7   37   16 o  214.427   6.4410  159.520   9.5589  159.520   9.5589   0.0000   0.0000  214.427   6.4410  ?   ?  0.000000 6.440983 
1 1 1   -7   37   17 o  222.823   5.8975  172.276   9.0951  171.894   9.8342  174.537   23.912  222.525   6.3853  221.975   15.665 0.5494080 16.91666 
1 1 1   -7   37   18 o  135.592   9.7551   64.534   9.0935   58.074   10.170   90.293   20.307  128.207   11.587  157.779   18.977 -29.57262 22.23456 
1 1 1   -7   39    1 o  348.269   5.7902  419.801   13.957  457.561   24.168  400.908   17.096  363.546   9.6053  340.327   7.2579 23.21890 12.03905 
1 1 1   -7   39    2 o  828.440   6.5186  2375.51   37.376  2322.85   51.750  2432.92   54.039  819.127   9.1282  838.303   9.3138 -19.17621 13.04109 
1 1 1   -7   39    3 o  886.305   6.8330  2719.04   41.915  2662.07   58.032  2781.18   60.604  876.871   9.5622  896.264   9.7699 -19.39270 13.67068 
1 1 1   -7   39    4 o  901.669   7.9611  2814.44   49.682  2792.79   60.452  2859.51   87.206  898.116   9.7252  908.538   13.868 -10.42175 16.93845 
1 1 1   -7   39    5 o  516.328   6.1933  922.785   22.132  927.983   26.646  911.219   39.745  517.754   7.4359  512.947   11.195 4.807068 13.43964 
1 1 1   -7   39    6 o  751.142   8.7167  1953.52   45.316  1953.52   45.316   0.0000   0.0000  751.142   8.7167  ?   ?  0.000000 8.716708 
1 1 1   -7   39    7 o  778.211   6.3132  2096.42   34.003  2089.18   47.856  2103.80   48.324  776.746   8.9018  779.455   8.9576 -2.709473 12.62861 
1 1 1   -7   39    8 o  449.823   5.2338  700.394   16.294  683.404   22.340  719.707   23.818  444.280   7.2652  455.919   7.5483 -11.63840 10.47662 
1 1 1   -7   39    9 o  530.711   5.3845  975.024   19.778  961.068   27.102  990.923   28.928  526.815   7.4330  534.916   7.8136 -8.101013 10.78428 
1 1 1   -7   39   10 o  150.452   11.164   78.923   11.543   78.923   11.543   0.0000   0.0000  150.452   11.164  ?   ?  0.000000 11.16445 
1 1 1   -7   39   11 f   50.594   17.943   7.7035   7.8739   2.5694   10.475   14.373   11.939   47.934   19.689   66.116   22.152 -18.18192 29.63732 
1 1 1   -7   39   12 o  415.831   5.1731  598.830   14.888  627.056   20.868  569.572   21.247  425.380   7.0882  405.374   7.5730 20.00641 10.37267 
1 1 1   -7   39   13 o  181.784   7.1183  114.558   8.9559  130.485   12.210   96.010   13.177  193.900   9.0981  165.780   11.556 28.11961 14.70799 
1 1 1   -7   39   14 o   34.981   15.509  -2.5553   7.4655   4.5988   10.105 -11.1517   11.077   49.524   19.693   36.836   17.264 12.68819 26.18917 
1 1 1   -7   39   15 o  261.631   6.5304  237.429   11.825  242.107   14.280  227.219   21.095  264.064   7.8132  255.252   11.941 8.811890 14.27002 
1 1 1   -7   39   16 o  199.111   6.1141  137.542   8.4257  136.270   9.2353  143.854   20.578  198.135   6.7346  201.870   14.832 -3.734726 16.28957 
1 1 1   -7   39   17 o  226.274   5.8422  177.687   9.1493  171.952   9.9383  209.561   23.430  222.523   6.4530  243.726   13.948 -21.20290 15.36796 
1 1 1   -7   39   18 o  112.443   10.379   44.624   7.9864   44.624   7.9864   0.0000   0.0000  112.443   10.379  ?   ?  0.000000 10.37936 
1 1 1   -7   41    1 o  634.176   5.6640  1392.01   24.861  1362.54   34.398  1424.24   35.971  627.373   7.9219  641.416   8.1029 -14.04352 11.33198 
1 1 1   -7   41    2 o  555.752   6.2582  1069.07   24.072  1040.49   40.671  1084.48   29.865  548.155   10.720  559.712   7.7094 -11.55725 13.20439 
1 1 1   -7   41    3 o  925.590   7.0696  2965.62   45.289  2939.26   63.336  2993.19   64.785  921.334   9.9324  929.740   10.068 -8.405945 14.14261 
1 1 1   -7   41    4 o  577.428   5.4987  1154.06   21.975  1159.32   30.883  1148.66   31.277  578.689   7.7107  576.017   7.8453 2.671936 11.00020 
1 1 1   -7   41    5 o  742.721   6.1886  1909.49   31.812  1904.38   44.541  1914.80   45.451  741.630   8.6775  743.649   8.8307 -2.019531 12.38069 
1 1 1   -7   41    6 o  444.340   6.0817  683.450   18.703  706.341   31.503  670.988   23.243  451.603   10.079  440.233   7.6284 11.37009 12.64043 
1 1 1   -7   41    7 o  1178.36   8.5156  4808.40   69.450  4723.14   96.387  4900.45  100.156  1167.48   11.929  1189.16   12.169 -21.67969 17.04051 
1 1 1   -7   41    8 o  147.124   8.7680   75.239   8.8876   83.018   11.675   64.520   13.705  154.388   10.998  135.565   14.850 18.82256 18.47922 
1 1 1   -7   41    9 o  175.014   7.7226  106.093   9.3543   93.241   11.954  126.394   15.024  163.663   10.611  190.580   11.443 -26.91762 15.60538 
1 1 1   -7   41   10 o  354.064   5.3569  434.071   13.127  416.653   17.651  455.630   19.637  346.799   7.3537  362.632   7.8242 -15.83252 10.73754 
1 1 1   -7   41   11 f  321.622   5.4132  358.231   12.050  363.186   16.341  352.326   17.838  323.740   7.2932  318.814   8.0843 4.926361 10.88788 
1 1 1   -7   41   12 f  346.303   5.3042  415.383   12.713  407.316   17.170  425.172   18.915  342.791   7.2370  350.177   7.8042 -7.385559 10.64332 
1 1 1   -7   41   13 o  159.733   7.7800   88.507   8.6011   78.392   11.424  101.747   13.070  149.738   11.102  170.695   11.124 -20.95654 15.71570 
1 1 1   -7   41   14 o  143.424   10.343   71.923   10.199   99.805   17.132   56.620   12.693  168.285   14.862  126.406   14.787 41.87967 20.96538 
1 1 1   -7   41   15 o  274.480   6.5743  261.396   12.489  276.470   14.587  220.000   24.173  282.177   7.4692  250.283   14.011 31.89400 15.87759 
1 1 1   -7   41   16 o   22.395   11.060 -13.8275   6.2340 -13.9102   6.6352 -13.2049   18.204   23.529   11.580   49.382   22.797 -25.85303 25.56958 
1 1 1   -7   41   17 o  169.333   7.6981   99.770   9.0220   99.906   9.9901   99.171   21.009  169.127   8.5624  165.705   18.642 3.421555 20.51455 
1 1 1   -7   43    1 o  307.599   5.4934  327.493   11.695  342.554   16.407  311.935   16.676  314.565   7.5358  300.170   8.0268 14.39505 11.00987 
1 1 1   -7   43    2 o  563.386   5.4665  1098.62   21.315  1046.35   29.034  1159.72   31.392  549.768   7.6305  578.779   7.8367 -29.01093 10.93793 
1 1 1   -7   43    3 o  470.213   5.3286  765.287   17.342  752.502   23.957  779.359   25.135  466.225   7.4243  474.466   7.6541 -8.241180 10.66331 
1 1 1   -7   43    4 o  378.812   5.3598  496.694   14.052  487.453   19.293  507.136   20.508  375.233   7.4290  382.727   7.7421 -7.493927 10.72986 
1 1 1   -7   43    5 o  344.750   5.4459  411.399   12.994  411.397   17.856  411.402   18.946  344.710   7.4844  344.702   7.9412 0.8056641E-02 10.91233 
1 1 1   -7   43    6 o  378.112   7.4269  495.019   19.436  495.019   19.436   0.0000   0.0000  378.112   7.4269  ?   ?  0.000000 7.426904 
1 1 1   -7   43    7 o  529.746   5.4226  971.481   19.882  987.851   27.940  954.689   28.298  534.103   7.5582  525.051   7.7871 9.052246 10.85199 
1 1 1   -7   43    8 o  459.901   6.2784  732.373   19.984  716.585   33.835  740.831   24.766  454.657   10.752  462.478   7.7373 -7.821075 13.24687 
1 1 1   -7   43    9 o  339.409   5.3846  398.874   12.649  380.323   16.690  423.906   19.388  331.346   7.2778  349.779   8.0087 -18.43277 10.82151 
1 1 1   -7   43   10 o  439.541   5.2430  669.009   15.950  647.118   21.339  696.725   24.010  432.168   7.1341  448.378   7.7370 -16.21039 10.52405 
1 1 1   -7   43   11 o  632.404   6.5712  1385.78   28.762  1370.73   47.358  1394.57   36.203  628.260   10.891  634.173   8.2483 -5.913086 13.66219 
1 1 1   -7   43   12 o  340.676   5.2514  402.037   12.382  407.872   16.865  395.213   18.237  342.996   7.1043  337.567   7.8058 5.428955 10.55475 
1 1 1   -7   43   13 o  334.872   5.2129  388.534   12.082  393.297   16.293  382.716   18.009  336.755   6.9904  332.102   7.8349 4.653351 10.50006 
1 1 1   -7   43   14 o  183.670   10.554  117.832   13.360  133.415   17.590   96.585   20.539  195.008   13.109  164.599   18.341 30.40971 22.54453 
1 1 1   -7   43   15 o   70.408   19.141   18.152   9.5729   17.859   14.721   18.367   12.601   72.570   24.597   71.893   22.667 0.6771240 33.44923 
1 1 1   -7   43   16 o  141.579   8.5557   70.030   8.3442   71.382   9.2258   63.951   19.561  142.808   9.3864  131.710   22.250 11.09749 24.14925 
1 1 1   -7   43   17 o  171.287   6.7261  102.004   7.9738   95.220   8.5486  147.415   22.117  165.404   7.4675  203.208   15.851 -37.80496 17.52220 
1 1 1   -7   45    1 o  357.504   5.4026  442.391   13.368  462.027   18.659  421.685   19.161  365.316   7.3799  348.991   7.9327 16.32465 10.83470 
1 1 1   -7   45    2 o  690.771   6.8474  1651.88   32.737  1664.56   40.308  1627.32   56.112  693.351   8.3997  685.360   11.829 7.991272 14.50822 
1 1 1   -7   45    3 o  558.865   6.3907  1081.22   24.719  1057.07   41.880  1094.12   30.622  552.404   10.954  562.141   7.8707 -9.736694 13.48851 
1 1 1   -7   45    4 o  241.751   6.4336  202.326   10.765  214.030   14.674  188.689   15.839  248.609   8.5283  233.402   9.8051 15.20653 12.99509 
1 1 1   -7   45    5 o  467.524   5.3385  756.634   17.274  754.481   24.037  758.935   24.842  466.792   7.4401  468.160   7.6669 -1.367432 10.68342 
1 1 1   -7   45    6 o  670.424   5.8739  1556.08   27.255  1542.89   37.994  1570.07   39.121  667.437   8.2247  673.279   8.3953 -5.841553 11.75277 
1 1 1   -7   45    7 o  315.179   6.4313  343.984   14.029  337.640   16.635  359.610   26.108  312.217   7.6983  322.022   11.714 -9.805145 14.01717 
1 1 1   -7   45    8 o  382.905   7.2207  507.880   19.136  507.880   19.136   0.0000   0.0000  382.905   7.2207  ?   ?  0.000000 7.220667 
1 1 1   -7   45    9 o  308.542   5.5099  329.673   11.766  310.132   15.599  355.466   17.921  299.166   7.5338  320.254   8.0854 -21.08789 11.05132 
1 1 1   -7   45   10 o  352.678   5.2939  430.774   12.922  420.385   17.336  443.764   19.385  348.283   7.1917  357.789   7.8280 -9.505524 10.63005 
1 1 1   -7   45   11 o  122.527   9.6084   52.435   8.0828   48.867   10.164   58.573   13.331  117.841   12.661  128.706   15.263 -10.86464 19.83077 
1 1 1   -7   45   12 o  225.490   6.0676  176.224   9.4694  171.883   12.275  182.606   14.882  222.573   7.9682  229.294   9.3779 -6.721130 12.30602 
1 1 1   -7   45   13 o  182.530   6.9802  115.578   8.8182  130.893   11.808   96.268   13.259  194.108   8.7894  165.828   11.626 28.28014 14.57478 
1 1 1   -7   45   14 o  203.413   7.8671  143.728   11.076  141.854   18.070  144.856   14.017  201.010   13.059  203.983   9.9289 -2.973099 16.40515 
1 1 1   -7   45   15 f   98.173   15.778   34.769   10.357   16.166   16.338   47.269   13.392   71.621   25.799  114.370   17.473 -42.74863 31.15898 
1 1 1   -7   47    1 o  404.040   5.3224  565.086   14.884  572.829   20.690  556.781   21.427  406.749   7.3493  401.000   7.7203 5.748871 10.65911 
1 1 1   -7   47    2 o  334.391   5.5615  387.070   12.871  392.197   17.980  381.680   18.434  336.549   7.7190  331.999   8.0226 4.550690 11.13307 
1 1 1   -7   47    3 o  258.253   6.1645  230.895   11.018  229.636   15.256  232.269   15.931  257.499   8.5603  258.963   8.8884 -1.463928 12.34028 
1 1 1   -7   47    4 o  124.292   15.693   54.463   13.199   0.0000   0.0000   54.463   13.199  ?   ?   124.292   15.693 0.000000 15.69258 
1 1 1   -7   47    5 o  414.209   5.3320  593.959   15.286  573.135   20.801  618.407   22.538  406.810   7.3877  422.557   7.7064 -15.74780 10.67552 
1 1 1   -7   47    6 o  605.817   7.9644  1271.40   33.394  1271.40   33.394   0.0000   0.0000  605.817   7.9644  ?   ?  0.000000 7.964436 
1 1 1   -7   47    7 o  232.927   7.7304  187.973   12.462  177.658   20.836  193.719   15.551  225.790   13.393  236.390   9.5048 -10.59984 16.42277 
1 1 1   -7   47    8 o  454.777   7.4349  716.644   23.402  672.195   30.384  781.463   36.692  440.222   9.9724  474.515   11.172 -34.29337 14.97560 
1 1 1   -7   47    9 o  249.482   6.1008  215.612   10.534  194.277   13.804  245.363   16.301  236.706   8.4260  265.987   8.8546 -29.28009 12.22297 
1 1 1   -7   47   10 o  213.879   7.5023  158.596   11.106  167.902   16.754  151.302   14.832  219.551   11.061  208.734   10.267 10.81670 15.09179 
1 1 1   -7   47   11 f  206.371   6.5173  147.629   9.3089  134.698   11.787  169.060   15.175  197.001   8.6451  220.599   9.9389 -23.59808 13.17269 
1 1 1   -7   47   12 o  335.601   5.3156  390.276   12.347  376.730   16.267  408.685   18.963  329.550   7.1320  343.138   7.9848 -13.58835 10.70616 
1 1 1   -7   47   13 o  309.181   6.1767  331.519   13.217  364.386   15.798  254.829   24.131  324.040   7.0441  270.093   12.909 53.94733 14.70581 
1 1 1   -7   47   14 o   88.382   13.250   27.937   7.8551   38.621   10.219   12.509   12.280  103.919   14.612   63.052   22.403 40.86758 26.74687 
1 1 1   -7   47   15 o  158.602   12.542   88.700   13.655   0.0000   0.0000   88.700   13.655  ?   ?   158.602   12.542 0.000000 12.54226 
1 1 1   -7   47   16 o   58.288   19.491   11.655   9.2419  -9.0146   16.207   21.614   11.250   48.075   21.939   76.099   20.777 -28.02329 30.21576 
1 1 1   -7   49    1 o  805.969   7.5305  2249.54   42.007  2211.87   50.455  2334.63   75.832  799.059   9.1232  820.442   13.355 -21.38342 16.17336 
1 1 1   -7   49    2 o  611.558   5.7053  1294.82   24.149  1273.02   33.455  1318.53   34.894  606.265   7.9729  616.993   8.1714 -10.72827 11.41656 
1 1 1   -7   49    3 o  574.507   5.5871  1142.69   22.215  1148.29   31.187  1136.93   31.653  575.789   7.8260  572.924   7.9824 2.864807 11.17880 
1 1 1   -7   49    4 o  106.823   12.118   40.087   8.8008   32.319   11.733   50.080   13.308   94.766   18.553  118.901   16.626 -24.13415 24.91239 
1 1 1   -7   49    5 o  435.982   6.2602  658.250   18.890  649.268   31.855  663.121   23.460  432.710   10.637  437.511   7.7475 -4.800354 13.15903 
1 1 1   -7   49    6 o  235.900   6.4862  192.744   10.590  186.216   14.196  200.935   15.902  231.783   8.8494  240.738   9.5437 -8.954758 13.01513 
1 1 1   -7   49    7 o  514.135   6.3347  915.628   22.541  917.370   27.089  911.707   40.646  514.515   7.6070  512.474   11.460 2.040405 13.75453 
1 1 1   -7   49    9 o  193.042   9.5868  129.344   12.809  130.439   16.189  127.512   20.943  193.304   12.163  190.502   16.033 2.802414 20.12459 
1 1 1   -7   49   10 f   90.371   13.173   29.035   7.9969   29.870   10.204   27.705   12.875   91.012   16.818   87.016   21.503 3.995949 27.29861 
1 1 1   -7   49   11 o  135.860   8.9544   64.382   8.3727   50.460   10.496   88.737   13.883  119.630   12.880  159.056   12.718 -39.42535 18.10072 
1 1 1   -7   49   12 o  145.874   8.3280   74.150   8.3732   73.330   10.637   75.485   13.577  144.738   10.694  146.367   13.557 -1.628571 17.26691 
1 1 1   -7   49   13 o  227.607   6.1720  179.710   9.7227  197.492   12.898  156.307   14.797  238.428   7.8160  211.842   10.092 26.58603 12.76476 
1 1 1   -7   49   14 o  119.456   9.6731   50.051   7.9288   41.648   10.046   63.932   12.912  108.105   13.737  134.204   14.113 -26.09922 19.69426 
1 1 1   -7   49   15 o   59.300   20.062   11.894   9.7923   11.741   16.458   11.977   12.184   66.302   25.488   61.839   22.278 4.463844 33.85183 
1 1 1   -7   51    1 o  563.776   5.5572  1100.49   21.684  1088.80   30.101  1113.09   31.264  560.637   7.7574  566.840   7.9691 -6.203003 11.12132 
1 1 1   -7   51    2 o  551.251   5.5226  1052.15   21.070  1047.68   29.386  1056.88   30.227  549.939   7.7207  552.335   7.9070 -2.395813 11.05124 
1 1 1   -7   51    3 o   99.616   13.365   35.066   8.9820   60.564   12.499   7.8330   12.917  131.320   13.966   58.512   22.557 72.80725 26.53014 
1 1 1   -7   51    4 o  527.336   5.4948  962.917   20.055  914.754   27.251  1019.82   29.620  513.829   7.6627  542.516   7.8886 -28.68732 10.99759 
1 1 1   -7   51    5 o  222.817   6.6583  171.980   10.268  170.210   13.808  174.170   15.357  221.575   9.0041  224.095   9.9016 -2.520065 13.38341 
1 1 1   -7   51    6 o  491.872   7.6978  838.498   26.206  826.341   36.647  851.219   37.488  487.933   10.852  495.212   10.938 -7.278778 15.40761 
1 1 1   -7   51    7 o  493.129   5.3856  842.228   18.381  868.841   26.083  815.974   25.907  500.660   7.5273  485.170   7.7152 15.49084 10.77895 
1 1 1   -7   51    8 o  259.778   6.1362  233.825   11.033  250.931   15.345  215.518   15.874  268.979   8.2425  249.209   9.2033 19.77013 12.35472 
1 1 1   -7   51    9 f  106.519   13.394   40.141   9.6559   39.525   11.350   41.756   18.374  105.181   16.103  106.489   25.303 -1.307816 29.99280 
1 1 1   -7   51   10 o   77.628   15.647   21.818   8.1165   36.629   10.294  -2.5225   13.196  101.289   15.149   47.979   20.968 53.30985 25.86795 
1 1 1   -7   51   11 o  145.778   8.6324   74.080   8.6708   75.684   11.017   71.469   14.056  147.039   10.903  142.231   14.480 4.808182 18.12620 
1 1 1   -7   51   12 o  229.467   6.2611  182.650   9.9438  173.307   12.844  196.627   15.710  223.320   8.3101  237.712   9.5487 -14.39207 12.65840 
1 1 1   -7   51   13 o   34.852   15.522  -2.8004   7.5617   3.0535   9.8785 -11.0847   11.752   46.901   19.175   38.226   17.873 8.675957 26.21316 
1 1 1   -7   51   14 o  138.608   9.3986   67.287   8.9630   64.537   12.699   70.018   12.653  134.799   13.806  140.621   13.153 -5.821564 19.06854 
1 1 1   -7   51   15 o  121.279   12.674   52.296   10.481   49.463   17.494   53.883   13.091  114.667   22.845  122.232   15.847 -7.564713 27.80299 
1 1 1   -7   53    1 o  715.371   6.1183  1772.39   30.293  1778.78   42.765  1765.96   42.916  716.375   8.6253  713.780   8.6872 2.594421 12.24184 
1 1 1   -7   53    2 o   62.560   21.738   12.276   11.518   4.0683   15.943   21.234   16.657   59.148   24.292   79.435   26.151 -20.28732 35.69229 
1 1 1   -7   53    3 o  310.293   5.6523  333.439   12.139  336.215   16.783  330.393   17.578  311.478   7.7850  308.744   8.2263 2.734131 11.32603 
1 1 1   -7   53    4 o  425.821   5.3438  627.931   15.749  636.977   22.038  618.490   22.514  428.734   7.4270  422.445   7.7004 6.289185 10.69846 
1 1 1   -7   53    5 o  149.373   10.633   77.840   10.921   64.098   17.511   86.589   13.971  134.056   19.440  157.295   12.948 -23.23972 23.35747 
1 1 1   -7   53    6 o   41.443   17.482   0.5718   8.5833  -4.8773   11.431   7.6149   12.996   42.441   18.980   58.202   22.573 -15.76098 29.49212 
1 1 1   -7   53    7 f  224.330   6.6227  174.410   10.282  178.109   14.047  170.139   15.092  226.557   8.9585  221.367   9.8507 5.190399 13.31501 
1 1 1   -7   53    8 o  183.896   8.7228  117.372   11.102  128.488   17.577  109.993   14.320  191.579   13.339  177.431   11.727 14.14749 17.76140 
1 1 1   -7   53    9 o  168.528   8.9579   98.909   10.411   92.517   12.092  117.219   20.467  162.738   10.797  182.260   16.401 -19.52151 19.63581 
1 1 1   -7   53   10 o  165.171   8.8412   95.051   10.070   89.199   11.546  113.659   20.589  159.764   10.500  179.199   16.797 -19.43556 19.80845 
1 1 1   -7   53   11 o  198.042   7.4945  136.173   10.273  137.753   11.902  131.561   20.341  199.079   8.6379  193.062   15.350 6.016861 17.61321 
1 1 1   -7   53   12 o  222.184   6.3435  171.305   9.7548  175.346   12.679  165.444   15.271  224.588   8.1568  217.886   10.126 6.701569 13.00281 
1 1 1   -7   53   13 o  188.816   6.9684  123.857   9.1064  136.850   12.607  109.681   13.168  198.188   9.1909  176.878   10.808 21.31000 14.18782 
1 1 1   -7   53   14 o   89.530   12.428   28.669   7.4935   38.303   10.015   16.412   11.295  103.230   14.410   67.643   21.475 35.58793 25.86176 
1 1 1   -7   55    1 o  219.771   6.5638  167.333   9.9840  171.385   13.779  162.854   14.487  222.307   8.9552  216.666   9.6608 5.640991 13.17290 
1 1 1   -7   55    2 o  408.930   5.3418  579.138   15.119  590.292   21.230  567.660   21.535  412.700   7.4325  404.690   7.6887 8.010010 10.69390 
1 1 1   -7   55    3 o  291.347   6.5319  294.100   13.171  272.244   15.774  344.439   23.939  280.219   8.1331  314.948   10.982 -34.72897 13.66575 
1 1 1   -7   55    4 o  426.967   5.3561  631.413   15.828  652.803   22.326  609.802   22.441  433.964   7.4334  419.399   7.7312 14.56509 10.72506 
1 1 1   -7   55    5 o  394.539   6.2617  539.369   17.098  563.967   20.812  488.293   29.990  403.327   7.4557  374.814   11.561 28.51285 13.75646 
1 1 1   -7   55    6 o  113.425   11.034   45.134   8.5527   50.191   11.462   38.781   12.847  119.179   14.174  103.702   18.581 15.47710 23.37016 
1 1 1   -7   55    7 f  160.551   12.100   90.223   13.347   0.0000   0.0000   90.223   13.347  ?   ?   160.551   12.100 0.000000 12.10030 
1 1 1   -7   55    8 o  399.680   5.4361  553.537   15.038  579.682   21.195  527.038   21.339  408.767   7.4917  389.708   7.9113 19.05911 10.89561 
1 1 1   -7   55    9 o  214.989   6.7344  160.317   10.021  155.768   13.270  166.352   15.285  211.721   9.0559  218.684   10.099 -6.963745 13.56464 
1 1 1   -7   55   10 o  124.363   10.258   54.208   8.7510   74.401   11.166   22.062   14.089  145.684   11.159   78.257   23.853 67.42596 26.33403 
1 1 1   -7   55   11 o  209.746   7.4704  152.810   10.845  154.206   12.564  148.732   21.479  210.572   8.6206  205.189   15.233 5.383209 17.50329 
1 1 1   -7   55   12 o  144.300   8.5839   72.721   8.5343   78.903   11.172   64.061   13.224  149.937   10.839  134.236   14.462 15.70135 18.07303 
1 1 1   -7   55   13 o  155.824   8.0086   84.743   8.6079   78.127   11.104   94.709   13.627  149.067   10.836  163.901   12.098 -14.83382 16.24192 
1 1 1   -7   57    1 o  288.107   6.7672  287.666   13.494  266.195   23.133  298.740   16.613  276.705   12.079  293.501   8.1784 -16.79608 14.58738 
1 1 1   -7   57    2 o  246.398   6.1390  210.357   10.469  222.845   14.576  197.048   15.047  253.477   8.3084  238.299   9.1230 15.17789 12.33934 
1 1 1   -7   57    3 f  385.398   5.3817  514.510   14.355  514.883   19.987  514.113   20.630  385.359   7.4939  385.046   7.7413 0.3129883 10.77434 
1 1 1   -7   57    4 o  254.708   8.4812  225.092   14.951  225.092   14.951   0.0000   0.0000  254.708   8.4812  ?   ?  0.000000 8.481177 
1 1 1   -7   57    5 o   75.423   16.716   20.667   8.4964   26.182   11.505   14.052   12.601   84.667   19.959   66.014   22.749 18.65276 30.26368 
1 1 1   -7   57    6 o  158.211   8.3556   87.116   9.1169   84.753   12.222   90.081   13.689  155.655   11.424  160.345   12.433 -4.689499 16.88449 
1 1 1   -7   57    7 o  119.393   10.416   49.950   8.5209   61.801   11.420   35.069   12.797  132.562   12.599   98.144   19.527 34.41827 23.23886 
1 1 1   -7   57    9 o  191.320   7.3177  127.065   9.6897  118.654   12.796  138.370   14.835  184.353   10.067  198.994   10.812 -14.64088 14.77322 
1 1 1   -7   57   10 o  205.635   6.9256  146.798   9.8567  161.765   13.317  128.665   14.658  215.637   8.9229  191.727   11.094 23.91046 14.23700 
1 1 1   -7   57   11 o   84.677   18.087   26.347   10.278   21.317   12.618   36.263   17.717   76.278   22.417   98.137   25.759 -21.85921 34.14714 
1 1 1   -7   57   12 o   59.896   18.713   12.758   8.6095   25.551   11.991  -0.8542   12.369   82.762   20.923   47.403   20.511 35.35924 29.29972 
1 1 1   -7   59    1 o  269.017   5.9195  250.775   11.022  254.711   15.535  246.785   15.639  270.947   8.2844  266.682   8.4729 4.264832 11.84998 
1 1 1   -7   59    2 o  210.277   6.8534  153.293   9.9741  165.792   13.940  140.184   14.277  218.520   9.2171  200.591   10.319 17.92931 13.83576 
1 1 1   -7   59    3 o   34.968   15.895  -5.0846   8.4020 -14.3326   11.291   6.3902   12.577   35.358   16.827   55.959   22.059 -20.60172 27.74425 
1 1 1   -7   59    4 o  118.618   10.852   49.338   8.8105   54.340   12.023   43.538   12.948  123.976   14.273  110.129   17.578 13.84693 22.64300 
1 1 1   -7   59    5 o  236.625   6.3936  194.123   10.471  177.810   14.158  213.820   15.557  226.255   9.0410  248.108   9.0597 -21.85307 12.79916 
1 1 1   -7   59    6 o  187.518   8.3922  122.107   10.892  117.268   16.969  125.497   14.204  182.776   13.510  189.574   10.871 -6.798370 17.34027 
1 1 1   -7   59    7 o   65.444   17.901   15.561   8.3422   5.9306   11.095   28.086   12.653   52.832   20.753   87.336   21.157 -34.50398 29.63567 
1 1 1   -7   59    8 o  137.062   9.3947   65.657   8.8583   72.768   11.983   57.088   13.154  143.875   12.147  126.670   15.315 17.20544 19.54746 
1 1 1   -7   59    9 o  163.548   9.4938   93.430   10.700   91.966   12.771   96.878   19.600  161.911   11.471  164.777   17.452 -2.865601 20.88436 
1 1 1   -7   59   10 o  103.377   12.408   37.930   8.7007   39.557   11.406   35.665   13.455  104.711   16.267   98.273   20.448 6.438286 26.12926 
1 1 1   -7   59   11 o   63.262   19.338   14.396   9.2511   16.142   10.822   9.6585   17.828   67.092   20.984   65.882   26.170 1.210304 33.54380 
1 1 1   -7   59   12 f   87.209   16.007   27.806   9.3055   27.498   10.606   28.839   19.393   86.118   18.356   87.874   28.165 -1.755577 33.61855 
1 1 1   -7   61    1 o  258.149   6.1015  231.001   10.901  230.038   14.973  232.086   15.903  257.417   8.4039  258.512   8.8886 -1.094604 12.23244 
1 1 1   -7   61    2 o  223.693   7.7428  173.638   11.987  187.610   20.108  165.934   14.931  231.662   12.588  218.487   9.8738 13.17503 15.99860 
1 1 1   -7   61    3 o  112.802   12.845   44.939   9.8496   52.779   11.737   26.263   18.113  122.124   14.148   85.987   27.184 36.13728 30.64498 
1 1 1   -7   61    4 o  136.227   9.5778   64.829   8.9729   64.514   12.118   65.211   13.350  135.341   13.101  135.829   14.422 -0.4875183 19.48385 
1 1 1   -7   61    5 o   32.959   15.780 -14.1649   10.251 -12.1707   13.033 -17.4000   16.601   40.421   18.874   44.469   20.934 -4.047947 28.18600 
1 1 1   -7   61    6 f   77.614   15.927   21.900   8.2690   17.099   11.276   27.486   12.162   69.332   21.376   86.390   20.626 -17.05827 29.70484 
1 1 1   -7   61    7 o  206.262   7.1696  147.701   10.235  153.447   13.999  141.101   15.002  209.965   9.6333  200.904   10.829 9.061295 14.49398 
1 1 1   -7   61    8 o  174.356   7.9732  105.663   9.6216  111.034   13.100   99.372   14.177  178.113   10.676  168.152   12.267 9.960526 16.26186 
1 1 1   -7   61    9 o  257.604   7.3195  230.589   13.050  232.000   23.169  229.933   15.794  256.919   13.073  256.989   8.8797 -0.6951904E-01 15.80325 
1 1 1   -7   61   10 o  146.425   8.9691   74.994   9.0457   66.627   11.679   87.537   14.300  137.288   12.426  157.303   13.258 -20.01396 18.17132 
1 1 1   -7   61   11 o   67.858   17.208   17.041   8.0938   20.517   10.598   12.176   12.538   74.209   20.126   62.327   22.577 11.88118 30.24550 
1 1 1   -7   63    1 o  127.299   9.9450   56.709   8.6925   50.118   11.717   64.778   12.963  118.824   14.552  135.410   14.036 -16.58652 20.21774 
1 1 1   -7   63    2 o  146.210   10.337   74.769   10.393   78.077   12.452   67.171   18.872  149.127   12.170  136.337   20.646 12.79008 23.96605 
1 1 1   -7   63    3 o  219.441   7.8388  167.211   11.905  183.512   20.128  158.439   14.765  228.899   12.756  213.379   9.9980 15.52055 16.20694 
1 1 1   -7   63    4 o  191.643   7.1666  127.478   9.5056  144.012   13.188  109.603   13.713  203.478   9.3648  176.963   11.255 26.51488 14.64131 
1 1 1   -7   63    5 o  163.481   7.9931   92.854   9.0440   86.637   12.133  100.628   13.568  157.223   11.223  169.424   11.641 -12.20120 16.17041 
1 1 1   -7   63    6 o  137.941   10.825   66.757   10.252   70.336   12.327   58.732   18.460  141.249   12.747  126.645   21.850 14.60385 25.29638 
1 1 1   -7   63    7 o  118.312   10.964   49.267   8.8758   49.560   11.900   48.899   13.325  117.836   14.926  116.513   17.027 1.323654 22.64267 
1 1 1   -7   63    8 o  258.607   6.1938  232.141   11.086  237.452   15.070  225.877   16.366  261.225   8.3352  254.609   9.2873 6.616028 12.47916 
1 1 1   -7   63    9 o   51.470   18.223   8.3275   8.1183   8.3573   10.589   8.2850   12.644   54.887   20.595   57.647   22.291 -2.760384 30.34869 
1 1 1   -7   65    1 o   48.762   18.462   6.1212   8.5527   16.195   11.468  -6.5052   12.839   67.936   21.646   43.858   19.821 24.07838 29.34989 
1 1 1   -7   65    2 o  208.884   7.0003  151.458   10.120  173.783   14.161  128.152   14.469  223.506   9.1543  191.408   10.968 32.09785 14.28601 
1 1 1   -7   65    3 o  245.568   6.3432  209.230   10.781  231.229   15.270  187.367   15.223  257.881   8.5557  232.012   9.4800 25.86884 12.76991 
1 1 1   -7   65    4 o  137.579   11.440   66.526   10.794   76.585   18.576   61.397   13.264  145.904   18.835  131.424   14.842 14.48021 23.97966 
1 1 1   -7   65    5 o  177.582   7.8429  109.612   9.6394  105.613   13.099  114.335   14.237  173.615   10.957  180.568   11.451 -6.952606 15.84883 
1 1 1   -7   65    6 o  158.127   8.5331   87.263   9.3042   92.247   12.564   81.209   13.846  162.098   11.269  151.594   13.332 10.50345 17.45645 
1 1 1   -7   65    7 o   81.006   17.512   24.145   9.5323   26.935   11.140   16.517   18.419   85.284   19.321   73.656   27.255 11.62751 33.40842 
1 1 1   -7   65    8 o  194.945   7.1736  132.151   9.6788  129.648   13.030  135.232   14.457  192.442   9.8154  196.348   10.678 -3.906021 14.50422 
1 1 1   -7   67    1 o   71.130   22.194   18.093   12.114   24.815   16.251   9.6878   18.173   82.646   25.692   66.692   26.444 15.95396 36.86969 
1 1 1   -7   67    2 f  109.782   11.818   42.604   8.8379   44.681   11.873   40.022   13.235  111.569   15.819  104.675   18.967 6.893333 24.69806 
1 1 1   -7   67    3 o  159.092   9.8126   88.552   10.752   95.220   18.179   84.965   13.334  163.491   16.282  155.292   12.512 8.199265 20.53451 
1 1 1   -7   67    4 o  232.562   6.5212  187.794   10.496  189.944   14.605  185.497   15.095  233.529   9.0364  230.710   9.4535 2.819397 13.07766 
1 1 1   -7   67    5 o  106.755   11.842   40.375   8.6019   37.713   11.519   43.732   12.934  101.911   16.924  109.721   17.629 -7.810165 24.43782 
1 1 1   -7   67    6 o   58.939   18.513   12.324   8.4135   16.121   11.158   7.3195   12.809   67.194   21.346   56.703   22.290 10.49064 30.86260 
1 1 1   -7   69    1 o  211.204   8.3359  155.277   12.185  163.544   14.851  138.244   21.316  216.492   9.9114  197.217   15.748 19.27460 18.60710 
1 1 1   -7   69    2 o   33.510   15.452  -6.2843   8.3271   0.0206   11.586 -13.0216   11.976   46.755   20.037   37.405   17.661 9.349689 26.70891 
1 1 1   -7   69    3 o  194.579   7.3767  131.661   9.9342  136.684   13.878  126.382   14.227  197.566   10.184  189.796   10.876 7.770599 14.89947 
1 1 1   -7   69    4 o  135.412   9.8126   64.359   9.1340   71.545   12.332   55.624   13.595  142.173   12.665  124.285   16.189 17.88744 20.55472 
1 1 1   -6    0    1 o  272.872   5.3583  257.974   10.111  257.974   10.111  257.974   10.111  272.872   5.3583  272.872   5.3583 0.000000 0.000000 
1 1 1   -6    0    2 o  2451.55   32.726 20824.39  555.063 20824.39  555.063 20824.39  555.063  2451.55   32.726  2451.55   32.726 0.000000 0.000000 
1 1 1   -6    0    3 o  309.820   5.7442  332.525   12.308  332.525   12.308  332.525   12.308  309.820   5.7442  309.820   5.7442 0.000000 0.000000 
1 1 1   -6    0    4 o  1834.35   17.556 11650.41  222.836 11650.41  222.836 11650.41  222.836  1834.35   17.556  1834.35   17.556 0.000000 0.000000 
1 1 1   -6    0    5 o  186.787   6.7769  121.219   8.7349  121.219   8.7349  121.219   8.7349  186.787   6.7769  186.787   6.7769 0.000000 0.000000 
1 1 1   -6    0    6 o  1086.87   15.587  4092.20  117.201  4092.20  117.201  4092.20  117.201  1086.87   15.587  1086.87   15.587 0.000000 0.000000 
1 1 1   -6    0    7 o  790.964   8.7392  2166.38   47.828  2166.38   47.828  2166.38   47.828  790.964   8.7392  790.964   8.7392 0.000000 0.000000 
1 1 1   -6    0    9 o  506.946   6.9237  889.992   24.282  889.992   24.282  889.992   24.282  506.946   6.9237  506.946   6.9237 0.000000 0.000000 
1 1 1   -6    0   10 o  703.043   8.1468  1711.47   39.629  1711.47   39.629  1711.47   39.629  703.043   8.1468  703.043   8.1468 0.000000 0.000000 
1 1 1   -6    0   11 o  1445.42   14.204  7236.17  142.070  7236.17  142.070  7236.17  142.070  1445.42   14.204  1445.42   14.204 0.000000 0.000000 
1 1 1   -6    0   12 o  794.346   8.9279  2185.02   49.070  2185.02   49.070  2185.02   49.070  794.346   8.9279  794.346   8.9279 0.000000 0.000000 
1 1 1   -6    0   13 f  354.669   7.1233  435.950   17.470  435.950   17.470  435.950   17.470  354.669   7.1233  354.669   7.1233 0.000000 0.000000 
1 1 1   -6    0   14 o  549.721   7.5648  1046.83   28.770  1046.83   28.770  1046.83   28.770  549.721   7.5648  549.721   7.5648 0.000000 0.000000 
1 1 1   -6    0   15 o  154.150   11.341   83.692   11.950   83.692   11.950   83.692   11.950  154.150   11.341  154.150   11.341 0.000000 0.000000 
1 1 1   -6    0   16 f   55.385   28.914   15.761   14.507   15.761   14.507   15.761   14.507   55.385   28.914   55.385   28.914 0.000000 0.000000 
1 1 1   -6    0   17 o  269.030   7.8399  251.716   14.570  251.716   14.570  251.716   14.570  269.030   7.8399  269.030   7.8399 0.000000 0.000000 
1 1 1   -6    0   18 f   25.983   17.756  -5.9362   10.020  -5.9362   10.020  -5.9362   10.020   25.983   17.756   25.983   17.756 0.000000 0.000000 
1 1 1   -6    0   19 o  201.667   9.3247  142.829   12.952  142.829   12.952  142.829   12.952  201.667   9.3247  201.667   9.3247 0.000000 0.000000 
1 1 1   -6    0   20 o   30.591   20.112  -0.7697   10.776  -0.7697   10.776  -0.7697   10.776   30.591   20.112   30.591   20.112 0.000000 0.000000 
1 1 1   -6    0   21 o   45.550   24.821   12.111   11.091   12.111   11.091   12.111   11.091   45.550   24.821   45.550   24.821 0.000000 0.000000 
1 1 1   -6    2    1 o  1792.47   13.998 11121.69  173.663 10824.39  291.702 11284.92  216.141  1767.90   23.840  1805.45   17.297 -37.55347 29.45392 
1 1 1   -6    2    2 o  1377.94   10.993  6571.74  104.841  6682.82  130.638  6370.73  175.729  1389.47   13.585  1356.48   18.718 32.99377 23.12778 
1 1 1   -6    2    3 o  1775.04   12.024 10905.77  147.719 10968.25  210.211 10844.83  207.626  1779.91   17.064  1769.88   16.950 10.03760 24.05141 
1 1 1   -6    2    4 o  1031.75   7.4510  3684.11   53.206  3681.10   75.223  3687.14   75.268  1031.27   10.539  1032.12   10.537 -0.8458252 14.90270 
1 1 1   -6    2    5 o  2602.90   20.050 23465.65  361.204 22263.41  588.403 24192.66  457.564  2533.40   33.558  2642.28   25.020 -108.8872 41.85876 
1 1 1   -6    2    6 o  1440.49   11.486  7183.84  114.510  7234.00  141.284  7087.81  195.495  1445.34   14.124  1430.21   19.750 15.13342 24.28009 
1 1 1   -6    2    7 o  412.310   4.5353  588.370   12.942  597.186   15.095  563.903   25.146  415.378   5.2506  403.570   9.0029 11.80856 10.42211 
1 1 1   -6    2    8 o  149.711   6.8625   77.590   7.1107   77.632   8.7979   77.512   12.075  149.492   8.5386  149.118   11.796 0.3738861 14.56207 
1 1 1   -6    2    9 o  448.082   5.4357  694.914   16.857  698.855   20.775  687.317   28.844  449.332   6.6802  445.555   9.3535 3.777008 11.49410 
1 1 1   -6    2   10 o  720.755   6.7363  1798.07   33.604  1818.05   58.647  1788.30   41.001  724.609   11.694  718.761   8.2421 5.848389 14.30678 
1 1 1   -6    2   11 o  806.800   6.3245  2252.91   35.316  2287.50   50.606  2220.07   49.308  812.908   8.9946  800.840   8.8960 12.06848 12.65076 
1 1 1   -6    2   12 f  604.857   6.2544  1266.27   26.183  1289.76   46.125  1255.11   31.803  610.333   10.919  602.159   7.6309 8.173340 13.32151 
1 1 1   -6    2   13 o  465.958   5.8388  751.498   18.830  757.801   23.103  739.024   32.500  467.884   7.1342  461.979   10.164 5.904816 12.41827 
1 1 1   -6    2   14 o  978.693   7.3355  3316.09   49.688  3372.98   71.344  3262.50   69.242  986.835   10.446  970.550   10.308 16.28442 14.67539 
1 1 1   -6    2   15 o  472.571   5.1647  773.066   16.892  806.542   24.486  742.662   23.335  482.619   7.3304  463.114   7.2801 19.50482 10.33130 
1 1 1   -6    2   16 o  250.279   5.7397  216.902   9.9423  219.978   14.160  213.911   13.964  251.969   8.1194  248.470   8.1198 3.498932 11.48286 
1 1 1   -6    2   17 o  231.590   5.9750  185.788   9.5771  191.067   13.692  180.732   13.401  234.743   8.4277  228.303   8.4807 6.439789 11.95611 
1 1 1   -6    2   18 f  171.342   8.1344  101.853   9.6463  124.732   17.550   91.949   11.547  188.716   13.526  162.348   10.330 26.36842 17.01984 
1 1 1   -6    2   19 o  110.126   12.600   42.850   9.4311   40.030   11.382   49.024   16.845  105.702   16.064  115.839   21.811 -10.13729 27.08808 
1 1 1   -6    2   20 o   98.752   11.974   34.560   8.0167   36.730   11.373   32.417   11.302  100.758   16.907   94.273   17.978 6.484924 24.67922 
1 1 1   -6    2   21 o   36.574   16.470  -4.1056   8.7729   6.3870   10.864 -23.7707   14.873   52.656   20.578   37.830   18.334 14.82608 27.56100 
1 1 1   -6    4    1 o  555.484   6.7335  1067.87   25.887  1038.05   35.689  1100.98   37.606  547.657   9.4157  564.010   9.6338 -16.35364 13.47088 
1 1 1   -6    4    2 o  991.772   8.2898  3404.19   56.903  3358.86   68.734  3502.93  101.445  985.123   10.081  1005.95   14.571 -20.82330 17.71802 
1 1 1   -6    4    3 o  856.434   6.4188  2538.42   38.047  2463.79   52.343  2622.01   55.401  843.726   8.9636  870.393   9.1965 -26.66705 12.84214 
1 1 1   -6    4    4 o  1496.63   10.283  7752.73  106.510  8024.39  220.602  7670.15  121.625  1522.18   20.939  1488.59   11.805 33.59058 24.03791 
1 1 1   -6    4    5 o  609.995   5.9640  1287.76   25.179  1271.71   43.055  1296.10   31.041  606.135   10.263  611.955   7.3289 -5.819885 12.61115 
1 1 1   -6    4    6 f  1746.19   13.708 10558.84  165.673 10541.46  286.320 10567.59  203.133  1743.60   23.726  1746.62   16.804 -3.022705 29.07397 
1 1 1   -6    4    7 o  421.146   5.2148  613.888   15.200  615.474   18.632  610.732   26.282  421.671   6.3843  419.987   9.0416 1.684174 11.06845 
1 1 1   -6    4    8 o  699.377   6.5653  1693.21   31.779  1718.20   39.351  1646.34   53.887  704.461   8.0708  689.412   11.293 15.04901 13.88090 
1 1 1   -6    4    9 o  925.060   8.0061  2962.35   51.259  2943.70   62.414  3000.98   89.844  922.067   9.7800  930.748   13.947 -8.680603 17.03433 
1 1 1   -6    4   10 o  658.258   6.4209  1499.73   29.253  1483.43   35.430  1534.63   51.849  654.644   7.8197  665.755   11.252 -11.11090 13.70274 
1 1 1   -6    4   11 o  1315.87   10.688  5994.58   97.343  5941.46  167.320  6021.76  119.681  1309.47   18.462  1318.70   13.113 -9.237549 22.64494 
1 1 1   -6    4   12 f  717.994   5.9083  1784.25   29.360  1834.86   42.558  1738.29   40.559  728.046   8.4458  708.632   8.2696 19.41376 11.82023 
1 1 1   -6    4   13 o  1747.65   11.944 10578.65  144.475 10835.90  209.649 10346.00  199.376  1767.97   17.133  1727.62   16.674 40.34717 23.90776 
1 1 1   -6    4   14 o  1121.99   8.1481  4358.68   63.274  4485.23   92.001  4245.10   87.160  1137.83   11.682  1106.99   11.376 30.84595 16.30638 
1 1 1   -6    4   15 o  460.508   5.9220  734.178   18.875  726.052   23.161  750.244   32.568  457.903   7.3083  465.334   10.112 -7.431702 12.47664 
1 1 1   -6    4   16 o  260.699   5.6533  235.337   10.200  237.176   14.412  233.491   14.439  261.637   7.9586  259.594   8.0367 2.043457 11.31057 
1 1 1   -6    4   17 o  468.500   6.0218  760.341   19.526  775.610   34.700  753.266   23.620  472.677   10.607  466.203   7.3204 6.474243 12.88770 
1 1 1   -6    4   18 o   89.166   12.621   28.222   7.5713   39.014   10.990   18.473   10.446  104.562   15.669   71.543   20.206 33.01863 25.56958 
1 1 1   -6    4   19 o  269.433   5.7296  251.645   10.684  234.644   14.890  269.692   15.341  259.933   8.2764  278.707   7.9527 -18.77481 11.47804 
1 1 1   -6    4   20 o  147.292   8.4250   75.685   8.5530   77.263   11.821   73.952   12.391  148.296   11.609  144.894   12.478 3.402267 17.04343 
1 1 1   -6    4   21 o  124.000   10.112   54.044   8.6026   51.352   12.169   56.734   12.163  119.735   15.014  126.159   14.176 -6.424698 20.64873 
1 1 1   -6    6    1 o  2521.73   23.756 22023.94  414.614 22092.69  588.302 21956.10  584.423  2524.63   33.669  2516.83   33.550 7.802002 47.53111 
1 1 1   -6    6    2 o  1506.90   11.930  7859.71  124.423  7882.64  152.826  7814.63  214.281  1509.01   14.633  1502.26   20.609 6.758545 25.27570 
1 1 1   -6    6    3 o  2349.04   18.130 19105.35  294.757 19434.15  519.883 18949.58  357.828  2367.90   31.722  2339.15   22.102 28.74683 38.66297 
1 1 1   -6    6    4 o  997.684   14.432  3445.85   99.657  3445.85   99.657   0.0000   0.0000  997.684   14.432  ?   ?  0.000000 14.43236 
1 1 1   -6    6    5 o  596.269   5.1097  1230.43   21.087  1256.27   30.211  1205.89   29.447  602.478   7.2450  590.274   7.2079 12.20410 10.21981 
1 1 1   -6    6    6 o  822.221   6.3028  2339.87   35.867  2278.36   49.448  2408.17   52.104  811.281   8.8065  834.067   9.0260 -22.78589 12.61041 
1 1 1   -6    6    7 o  1128.51   9.3137  4409.79   72.745  4498.70   90.777  4250.24  121.610  1139.65   11.509  1107.27   15.869 32.37378 19.60262 
1 1 1   -6    6    8 f  348.474   6.3742  420.355   15.373  420.355   15.373   0.0000   0.0000  348.474   6.3742  ?   ?  0.000000 6.374156 
1 1 1   -6    6    9 o  849.652   7.5360  2498.95   44.316  2498.95   44.316   0.0000   0.0000  849.652   7.5360  ?   ?  0.000000 7.535967 
1 1 1   -6    6   10 o  1361.79   9.5214  6419.94   89.741  6418.46  103.566  6424.39  179.782  1361.55   10.990  1361.51   19.079 0.4626465E-01 22.01772 
1 1 1   -6    6   11 o  1360.03   19.063  6409.76  179.435   0.0000   0.0000  6409.76  179.435  ?   ?   1360.03   19.063 0.000000 19.06254 
1 1 1   -6    6   12 f  1191.28   8.5399  4912.68   70.411  4986.63   82.543  4715.12  134.921  1200.14   9.9374  1166.53   16.711 33.60840 19.44254 
1 1 1   -6    6   13 o  233.586   6.9071  188.872   11.167  173.315   13.299  226.049   20.559  223.742   8.5883  255.474   11.627 -31.73288 14.45503 
1 1 1   -6    6   14 o  138.897   12.197   67.358   11.607   67.358   11.607   0.0000   0.0000  138.897   12.197  ?   ?  0.000000 12.19731 
1 1 1   -6    6   15 o  494.403   5.2130  846.160   17.838  842.502   25.141  849.868   25.313  493.252   7.3643  495.402   7.3827 -2.150543 10.42767 
1 1 1   -6    6   16 o  203.331   6.4173  143.188   9.0309  137.295   12.909  148.837   12.639  199.012   9.3719  207.229   8.8121 -8.217087 12.86413 
1 1 1   -6    6   17 o  351.204   10.352  428.146   25.163  428.146   25.163   0.0000   0.0000  351.204   10.352  ?   ?  0.000000 10.35221 
1 1 1   -6    6   18 o  258.405   6.4941  231.456   11.614  218.683   20.031  237.924   14.255  250.726   11.543  261.890   7.8647 -11.16376 13.96787 
1 1 1   -6    6   19 f  221.006   6.1529  169.363   9.4116  176.421   13.273  162.225   13.347  225.360   8.5099  216.062   8.9255 9.297775 12.33217 
1 1 1   -6    6   20 o  266.724   6.5666  246.927   12.122  246.872   15.162  247.024   20.181  266.469   8.2212  266.069   10.959 0.3995667 13.69998 
1 1 1   -6    6   21 o  163.650   7.8227   93.193   8.8603  100.122   13.058   87.280   12.062  168.767   11.243  157.548   11.133 11.21893 15.82306 
1 1 1   -6    8    1 f  1484.82   11.767  7631.08  120.929  7682.87  149.146  7531.71  206.609  1489.78   14.465  1474.83   20.241 14.94739 24.87826 
1 1 1   -6    8    2 o  1335.00   18.492  6170.73  170.865  6170.73  170.865   0.0000   0.0000  1335.00   18.492  ?   ?  0.000000 18.49247 
1 1 1   -6    8    3 o  2545.31   19.590 22433.93  345.100 22490.85  423.825 22321.95  594.476  2548.13   24.032  2537.34   33.852 10.78369 41.51456 
1 1 1   -6    8    4 o  1960.48   13.223 13305.15  179.426 12985.64  247.022 13661.97  261.051  1936.49   18.431  1986.24   18.990 -49.74878 26.46320 
1 1 1   -6    8    5 o  1608.96   12.724  8962.29  141.686  8487.80  230.995  9248.48  179.397  1565.19   21.323  1634.25   15.861 -69.06360 26.57534 
1 1 1   -6    8    6 o  1565.25   10.735  8482.78  116.294  8426.44  163.265  8540.81  165.692  1559.64   15.125  1570.18   15.247 -10.53564 21.47608 
1 1 1   -6    8    8 o  1064.39   8.8927  3922.65   65.510  3986.29   81.365  3805.37  110.457  1072.83   10.958  1047.80   15.231 25.02930 18.76349 
1 1 1   -6    8    9 o  278.074   5.5378  267.629   10.658  268.533   12.873  265.659   19.004  278.533   6.6777  277.002   9.9126 1.531769 11.95201 
1 1 1   -6    8   10 o  823.834   12.866  2350.24   73.362   0.0000   0.0000  2350.24   73.362  ?   ?   823.834   12.866 0.000000 12.86624 
1 1 1   -6    8   11 o  557.128   6.0352  1074.28   23.272  1099.12   28.777  1027.32   39.562  563.514   7.3783  544.738   10.493 18.77649 12.82776 
1 1 1   -6    8   12 o  566.015   10.719  1109.27   41.993   0.0000   0.0000  1109.27   41.993  ?   ?   566.015   10.719 0.000000 10.71939 
1 1 1   -6    8   13 o  1051.48   7.7592  3827.48   56.467  3850.75   65.605  3760.98  110.916  1054.60   8.9882  1041.72   15.384 12.87854 17.81720 
1 1 1   -6    8   14 o  280.025   6.4857  271.453   12.570  288.427   15.310  236.342   22.019  288.627   7.6639  261.170   12.181 27.45685 14.39168 
1 1 1   -6    8   15 o  587.500   6.3617  1195.05   25.868  1198.39   31.629  1188.29   44.954  588.247   7.7687  585.529   11.093 2.717102 13.54260 
1 1 1   -6    8   16 o  267.804   7.9348  248.506   14.707  265.317   20.641  231.171   20.961  276.565   10.783  258.099   11.734 18.46570 15.93644 
1 1 1   -6    8   17 o  335.270   5.2214  389.299   12.116  394.153   17.281  384.607   16.992  337.218   7.4042  333.112   7.3703 4.106140 10.44717 
1 1 1   -6    8   18 o  260.458   5.6479  235.060   10.181  209.443   14.422  260.507   14.375  245.660   8.4826  274.054   7.5786 -28.39481 11.37491 
1 1 1   -6    8   19 o   42.052   16.635   3.4426   7.1754   0.5251   10.181   6.3217   10.114   44.733   18.964   51.734   19.955 -7.000664 27.52927 
1 1 1   -6    8   20 o  251.481   5.8448  219.383   10.173  217.692   14.433  221.053   14.341  250.199   8.3347  252.141   8.2180 -1.941360 11.70479 
1 1 1   -6    8   21 o  124.955   11.869   55.207   10.142   58.749   12.262   47.537   18.043  128.414   14.024  112.359   23.935 16.05438 27.74077 
1 1 1   -6   10    1 o  2198.63   14.728 16733.93  224.121 16009.76  425.961 17011.15  263.551  2149.53   28.632  2216.64   17.179 -67.10352 33.39002 
1 1 1   -6   10    2 o  929.698   6.8272  2991.32   43.930  2931.14   60.897  3056.63   63.433  920.264   9.5611  939.755   9.7527 -19.49109 13.65765 
1 1 1   -6   10    3 o  2290.12   17.697 18159.56  280.504 17804.88  474.553 18350.03  347.758  2266.43   30.253  2301.76   21.829 -35.33252 37.30611 
1 1 1   -6   10    4 o  1627.90   11.114  9173.08  125.222  8847.59  170.117  9558.02  184.999  1598.56   15.376  1661.46   16.088 -62.90100 22.25408 
1 1 1   -6   10    5 o  478.834   9.3889  793.659   31.116   0.0000   0.0000  793.659   31.116  ?   ?   478.834   9.3889 0.000000 9.388915 
1 1 1   -6   10    6 o  617.481   5.2589  1319.65   22.475  1296.31   31.277  1344.56   32.317  611.952   7.3846  623.236   7.4921 -11.28369 10.51966 
1 1 1   -6   10    7 o  1644.08   12.982  9365.99  147.723  9318.85  179.949  9463.42  258.689  1639.41   15.859  1650.42   22.647 -11.01233 27.64765 
1 1 1   -6   10    8 o  646.348   11.085  1446.83   49.587  1446.83   49.587   0.0000   0.0000  646.348   11.085  ?   ?  0.000000 11.08467 
1 1 1   -6   10    9 f  733.448   6.8322  1862.01   34.682  1892.88   42.854  1803.42   59.045  739.461   8.3733  721.656   11.822 17.80511 14.48669 
1 1 1   -6   10   10 o  903.116   9.6432  2823.51   60.276  2823.51   60.276   0.0000   0.0000  903.116   9.6432  ?   ?  0.000000 9.643204 
1 1 1   -6   10   11 o  293.289   5.1773  297.702   10.509  314.014   12.215  251.219   20.620  301.212   5.8592  269.371   11.060 31.84128 12.51614 
1 1 1   -6   10   12 o  429.811   5.7404  639.401   17.076  656.590   21.000  605.854   29.338  435.534   6.9668  418.313   10.133 17.22104 12.29711 
1 1 1   -6   10   13 o  1123.94   9.4442  4374.05   73.465  4374.05   73.465   0.0000   0.0000  1123.94   9.4442  ?   ?  0.000000 9.444177 
1 1 1   -6   10   14 f  369.023   5.3760  471.372   13.731  469.231   15.930  477.561   27.081  368.167   6.2516  371.302   10.538 -3.135376 12.25282 
1 1 1   -6   10   15 o  433.909   5.4356  651.802   16.324  655.685   19.146  641.463   31.240  435.167   6.3568  430.221   10.492 4.946320 12.26717 
1 1 1   -6   10   16 o  288.199   5.9104  287.642   11.789  298.336   13.999  261.561   21.863  293.468   6.8922  274.539   11.506 18.92874 13.41218 
1 1 1   -6   10   17 o  131.669   10.008   60.521   9.0520   63.946   10.709   51.951   16.941  135.174   11.558  120.009   21.169 15.16498 24.11890 
1 1 1   -6   10   18 o  223.816   6.7341  173.676   10.431  183.955   12.378  148.488   19.377  230.273   7.7668  205.909   13.674 24.36415 15.72598 
1 1 1   -6   10   19 o  172.608   12.507  104.517   14.840  104.517   14.840   0.0000   0.0000  172.608   12.507  ?   ?  0.000000 12.50712 
1 1 1   -6   10   20 o  210.868   7.0812  154.430   10.335  149.173   11.780  172.000   21.535  207.118   8.2175  220.918   14.159 -13.79970 16.37045 
1 1 1   -6   10   21 o  137.326   11.963   66.622   11.257   66.547   14.587   66.732   17.701  136.242   15.760  135.234   19.474 1.008179 25.05205 
1 1 1   -6   12    1 o  1763.35   11.943 10762.87  145.755 10745.44  205.675 10780.46  206.584  1761.72   16.868  1764.58   16.915 -2.865601 23.88847 
1 1 1   -6   12    2 o  1818.07   12.297 11441.48  154.732 11405.08  218.027 11478.41  219.628  1814.94   17.357  1820.76   17.428 -5.820679 24.59704 
1 1 1   -6   12    3 o  807.407   6.1608  2256.13   34.428  2145.43   46.486  2390.61   51.235  787.321   8.5309  831.088   8.9073 -43.76648 12.33352 
1 1 1   -6   12    4 o  2164.93   14.530 16227.83  217.707 15780.93  298.217 16737.77  318.556  2134.39   20.187  2198.06   20.940 -63.67139 29.08609 
1 1 1   -6   12    5 o  1251.59   12.444  5424.08  107.792   0.0000   0.0000  5424.08  107.792  ?   ?   1251.59   12.444 0.000000 12.44363 
1 1 1   -6   12    6 o  263.603   9.0067  240.585   16.432   0.0000   0.0000  240.585   16.432  ?   ?   263.603   9.0067 0.000000 9.006709 
1 1 1   -6   12    8 o  689.188   5.7044  1644.01   27.210  1649.72   38.491  1638.30   38.469  690.319   8.0563  687.925   8.0797 2.393921 11.40989 
1 1 1   -6   12    9 o  736.737   6.8420  1878.72   34.888  1890.96   42.701  1854.15   60.505  739.095   8.3477  731.745   11.947 7.350037 14.57436 
1 1 1   -6   12   10 o   49.923   17.017   7.9148   7.0461   5.8099   8.2136   13.780   13.711   48.139   18.123   67.403   23.701 -19.26419 29.83643 
1 1 1   -6   12   11 o  767.469   6.1729  2038.61   32.789  2022.75   37.490  2090.24   67.632  764.459   7.0857  776.942   12.577 -12.48303 14.43589 
1 1 1   -6   12   12 o  283.967   6.0570  279.102   11.904  292.132   14.592  253.171   20.585  290.507   7.2572  270.395   11.000 20.11261 13.17803 
1 1 1   -6   12   13 o  1146.35   9.6267  4550.52   76.379  4584.91   94.284  4484.88  130.274  1150.49   11.841  1137.35   16.550 13.13928 20.34918 
1 1 1   -6   12   14 o  694.596   6.8365  1670.32   32.866  1723.94   41.016  1574.15   54.933  705.578   8.3991  674.014   11.776 31.56390 14.46415 
1 1 1   -6   12   15 o  706.735   7.0530  1729.70   34.499  1746.92   42.871  1698.05   58.111  710.112   8.7230  699.768   11.999 10.34393 14.83430 
1 1 1   -6   12   16 o  282.394   6.4649  276.225   12.635  286.045   15.389  255.902   22.137  287.312   7.7387  271.515   11.780 15.79770 14.09450 
1 1 1   -6   12   17 o  268.134   6.1730  249.098   11.456  253.217   13.447  238.195   21.876  270.284   7.1883  261.758   12.075 8.525879 14.05273 
1 1 1   -6   12   18 o  179.839   7.7495  112.207   9.6457  132.331   11.320   58.878   18.428  195.258   8.3766  127.507   21.657 67.75186 23.22050 
1 1 1   -6   12   19 o  169.396   7.8729   99.648   9.2303   93.878   10.848  114.781   17.568  164.003   9.5990  180.563   14.172 -16.55983 17.11674 
1 1 1   -6   12   20 o   37.927   16.515  -1.2754   8.1201  -9.7392   9.4024   23.561   16.106   33.639   15.810   80.850   25.642 -47.21128 30.12418 
1 1 1   -6   12   21 o  165.835   8.5478   96.094   9.7776  107.458   11.443   65.366   18.818  175.205   9.4722  133.162   21.124 42.04329 23.15019 
1 1 1   -6   14    1 o  1313.25   9.1431  5969.07   83.103  6025.73  118.671  5914.54  116.413  1319.36   12.996  1307.14   12.868 12.22522 18.28854 
1 1 1   -6   14    2 o  1225.02   9.9230  5194.14   84.132  5034.15  140.802  5282.98  104.921  1205.78   16.872  1235.38   12.271 -29.60364 20.86247 
1 1 1   -6   14    3 o  1250.52   8.7687  5412.56   75.893  5251.10  103.984  5596.61  111.019  1231.62   12.199  1271.48   12.616 -39.85913 17.54884 
1 1 1   -6   14    4 o  1983.89   15.450 13630.07  212.145 13524.40  257.440 13853.66  374.476  1975.83   18.826  1998.58   27.072 -22.75085 32.97441 
1 1 1   -6   14    5 o  850.153   6.4347  2501.67   37.862  2429.79   52.032  2582.56   55.197  837.771   8.9737  863.696   9.2338 -25.92499 12.87596 
1 1 1   -6   14    6 o  1162.23   8.2656  4676.76   66.488  4624.19   92.896  4731.97   95.204  1155.40   11.617  1168.77   11.769 -13.37256 16.53677 
1 1 1   -6   14    8 f  965.551   7.1693  3227.12   47.910  3239.79   67.995  3214.63   67.519  967.313   10.156  963.550   10.125 3.762817 14.34065 
1 1 1   -6   14    9 o  1014.34   14.999  3563.90  105.300  3563.90  105.300   0.0000   0.0000  1014.34   14.999  ?   ?  0.000000 14.99919 
1 1 1   -6   14   10 o  1145.95   8.2291  4545.55   65.267  4527.06   74.898  4603.90  133.049  1143.57   9.4630  1152.83   16.675 -9.259399 19.17319 
1 1 1   -6   14   11 o  593.029   7.5449  1217.31   30.968  1217.31   30.968   0.0000   0.0000  593.029   7.5449  ?   ?  0.000000 7.544903 
1 1 1   -6   14   12 o  655.781   6.5805  1488.56   29.867  1488.56   29.867   0.0000   0.0000  655.781   6.5805  ?   ?  0.000000 6.580463 
1 1 1   -6   14   13 o  476.588   5.2514  786.176   17.322  782.957   19.935  796.098   34.999  475.596   6.0561  479.442   10.547 -3.845886 12.16225 
1 1 1   -6   14   14 o  325.633   5.5923  367.060   12.604  369.561   14.793  360.439   24.073  326.721   6.5419  322.547   10.784 4.174652 12.61276 
1 1 1   -6   14   15 o  549.848   6.2677  1046.88   23.852  1074.07   29.460  995.122   40.641  556.862   7.6437  535.750   10.960 21.11212 13.36256 
1 1 1   -6   14   16 o  370.224   5.4868  474.662   14.059  488.012   16.569  440.341   26.568  375.348   6.3782  356.228   10.776 19.11957 12.52190 
1 1 1   -6   14   17 o  330.014   5.6164  377.277   12.828  378.062   14.896  375.024   25.236  330.297   6.5163  328.534   11.099 1.763733 12.87017 
1 1 1   -6   14   18 o  197.463   7.2731  135.248   9.9399  136.934   11.536  130.390   19.587  198.613   8.3919  192.629   14.805 5.984085 17.01777 
1 1 1   -6   14   19 o  344.808   5.5849  412.184   13.328  423.256   15.726  383.951   25.111  349.295   6.5049  331.936   10.930 17.35861 12.71967 
1 1 1   -6   14   20 o  101.389   21.118   38.041   14.338   4.1761   27.736   50.390   16.749   73.570   31.251  116.965   21.482 -43.39494 37.92186 
1 1 1   -6   14   21 o  204.189   7.8715  145.180   11.124  147.354   13.133  139.658   20.930  205.474   9.2347  197.993   15.395 7.480179 17.95213 
1 1 1   -6   16    1 o  963.294   7.0415  3211.52   46.946  3127.14   64.699  3305.34   68.224  950.508   9.8348  977.210   10.087 -26.70233 14.08819 
1 1 1   -6   16    2 o  1679.78   11.441  9767.52  133.010  9434.35  181.048 10158.23  196.057  1650.65   15.848  1712.76   16.539 -62.11035 22.90596 
1 1 1   -6   16    3 o  317.468   4.2042  348.793   9.2377  339.392   12.906  358.670   13.228  313.152   5.9546  321.923   5.9371 -8.771027 8.408716 
1 1 1   -6   16    4 o  774.894   6.0123  2078.24   32.245  2007.51   44.159  2159.03   47.194  761.541   8.3781  789.750   8.6342 -28.20923 12.03088 
1 1 1   -6   16    5 o  630.724   6.0727  1376.97   26.509  1382.94   32.621  1365.37   45.489  632.053   7.4570  627.918   10.467 4.134521 12.85171 
1 1 1   -6   16    7 o  772.683   8.5796  2067.05   45.882  2067.05   45.882   0.0000   0.0000  772.683   8.5796  ?   ?  0.000000 8.579558 
1 1 1   -6   16    8 o  424.025   5.4531  622.291   16.003  606.341   26.620  631.317   20.027  418.501   9.1904  427.073   6.7753 -8.572083 11.41791 
1 1 1   -6   16   10 o  1048.83   8.8717  3807.89   64.401  3850.11   79.422  3726.83  110.042  1054.55   10.882  1037.30   15.328 17.24658 18.79759 
1 1 1   -6   16   11 o  1108.60   8.0501  4254.20   61.766  4216.85   70.435  4378.54  128.512  1103.67   9.2208  1124.17   16.517 -20.49646 18.91673 
1 1 1   -6   16   12 o  847.112   6.6247  2483.93   38.840  2476.02   44.596  2508.78   79.038  845.728   7.6189  851.002   13.419 -5.274353 15.43134 
1 1 1   -6   16   13 o  1111.71   8.1076  4279.04   62.382  4362.30   73.264  4059.51  118.959  1122.37   9.4314  1082.05   15.885 40.32629 18.47349 
1 1 1   -6   16   14 o  392.773   7.6784  534.201   20.873  533.659   31.340  534.634   27.983  392.418   11.539  392.833   10.292 -0.4157410 15.46213 
1 1 1   -6   16   15 o  407.366   5.9931  574.618   16.897  586.361   20.503  549.756   29.833  411.453   7.1998  398.184   10.825 13.26852 13.00079 
1 1 1   -6   16   16 o  341.940   5.9861  404.983   14.167  421.098   17.227  371.317   24.899  348.612   7.1399  327.072   10.999 21.53955 13.11333 
1 1 1   -6   16   17 f  191.153   9.0808  126.806   12.014  126.806   12.014   0.0000   0.0000  191.153   9.0808  ?   ?  0.000000 9.080799 
1 1 1   -6   16   18 o  151.085   8.5867   79.515   8.9419   82.179   10.511   72.537   17.012  153.434   9.9517  142.735   17.593 10.69911 20.21235 
1 1 1   -6   16   19 o  135.707   9.7244   64.420   9.0731   70.276   10.651   48.927   17.324  141.576   10.955  115.310   22.515 26.26541 25.03869 
1 1 1   -6   16   20 o   72.596   17.157   19.386   8.4841   16.183   9.9181   28.122   16.381   66.845   19.933   86.985   25.535 -20.13970 32.39396 
1 1 1   -6   16   21 o  143.871   11.869   73.154   11.713   69.696   14.635   79.317   19.537  139.407   15.427  147.316   19.651 -7.909668 24.98327 
1 1 1   -6   18    1 o  1674.76   13.188  9710.78  152.869  9043.90  244.472 10138.95  195.890  1615.56   21.864  1711.05   16.541 -95.48486 27.41626 
1 1 1   -6   18    2 o  1277.20   10.325  5646.92   91.270  5590.24  156.574  5676.08  112.328  1270.36   17.808  1280.39   12.676 -10.02747 21.85849 
1 1 1   -6   18    3 o  1191.97   8.4258  4918.15   69.511  4823.17   96.317  5021.38  100.418  1180.25   11.791  1204.24   12.048 -23.99146 16.85793 
1 1 1   -6   18    4 f  392.561   6.1471  533.402   16.701  533.402   16.701   0.0000   0.0000  392.561   6.1471  ?   ?  0.000000 6.147098 
1 1 1   -6   18    5 o  376.499   4.4041  490.611   11.476  478.083   15.888  504.279   16.595  371.635   6.1770  381.679   6.2820 -10.04395 8.810147 
1 1 1   -6   18    6 o  597.373   7.3226  1235.39   30.275  1235.39   30.275   0.0000   0.0000  597.373   7.3226  ?   ?  0.000000 7.322649 
1 1 1   -6   18    7 o  902.179   7.8049  2817.59   48.734  2771.22   82.435  2842.51   60.424  894.437   13.316  906.079   9.6354 -11.64282 16.43672 
1 1 1   -6   18    8 o  1246.30   8.8068  5377.03   75.966  5460.60  109.061  5298.27  105.874  1255.73   12.549  1236.93   12.367 18.79407 17.61859 
1 1 1   -6   18   10 o  276.881   10.700  265.415   20.505  265.415   20.505   0.0000   0.0000  276.881   10.700  ?   ?  0.000000 10.70024 
1 1 1   -6   18   11 o  1750.71   11.950 10613.73  144.798 10707.06  168.583 10351.22  282.738  1758.18   13.854  1727.21   23.652 30.96960 27.41047 
1 1 1   -6   18   12 o  133.720   9.2353   62.206   8.4948   62.707   9.5679   60.341   18.461  134.166   10.385  130.199   21.218 3.966522 23.62296 
1 1 1   -6   18   13 o  376.771   10.690  491.707   27.876   0.0000   0.0000  491.707   27.876  ?   ?   376.771   10.690 0.000000 10.68979 
1 1 1   -6   18   14 o  341.726   5.4150  404.252   12.807  410.686   14.964  386.634   24.762  344.414   6.2776  334.029   10.711 10.38507 12.41481 
1 1 1   -6   18   15 o  386.387   6.3711  517.032   17.038  511.677   21.384  526.341   28.195  384.296   8.0397  389.604   10.456 -5.307587 13.18982 
1 1 1   -6   18   16 o  157.527   8.2567   86.264   8.9706   88.362   10.261   79.463   18.475  159.336   9.3459  149.804   18.192 9.531708 20.45271 
1 1 1   -6   18   17 o  125.484   9.7524   55.006   8.4034   52.177   9.7584   63.122   16.530  121.935   11.707  133.016   18.452 -11.08099 21.85279 
1 1 1   -6   18   18 o  264.721   6.4390  242.992   11.797  248.698   14.121  229.805   21.466  267.704   7.6215  256.792   12.078 10.91168 14.28141 
1 1 1   -6   18   19 o  203.922   8.4631  144.557   11.945  140.316   14.965  152.000   19.827  200.334   10.833  207.874   13.860 -7.539871 17.59176 
1 1 1   -6   18   20 o  134.106   9.8547   63.061   9.0827   58.097   10.570   77.073   17.759  128.265   12.048  146.327   17.909 -18.06190 21.58417 
1 1 1   -6   18   21 o  235.643   6.5677  193.064   10.711  194.812   12.309  187.610   21.741  236.535   7.5189  230.098   13.714 6.436813 15.63978 
1 1 1   -6   20    1 o  706.781   6.5429  1728.97   32.006  1701.95   54.665  1743.07   39.481  701.122   11.265  709.626   8.0386 -8.504822 13.83917 
1 1 1   -6   20    2 o  1076.18   7.7400  4008.98   57.650  3863.39   78.498  4179.45   84.942  1056.32   10.737  1098.66   11.171 -42.33484 15.49421 
1 1 1   -6   20    3 o  860.425   6.4930  2562.58   38.667  2510.03   53.577  2619.71   55.860  851.459   9.0915  869.853   9.2785 -18.39447 12.99025 
1 1 1   -6   20    4 o  1301.64   10.505  5867.77   94.634  5720.72  112.926  6214.63  173.438  1285.00   12.697  1338.42   18.723 -53.42224 22.62241 
1 1 1   -6   20    6 o  613.666   5.3027  1303.43   22.522  1275.61   31.256  1333.46   32.480  607.033   7.4395  620.641   7.5614 -13.60797 10.60763 
1 1 1   -6   20    8 o  297.989   4.8001  307.319   9.8999  310.815   13.770  303.578   14.243  299.667   6.6392  296.155   6.9489 3.511658 9.610685 
1 1 1   -6   20   10 o  923.794   9.9295  2954.41   63.486  2952.68   90.257  2956.10   89.317  923.336   14.124  923.878   13.968 -0.5418091 19.86421 
1 1 1   -6   20   11 o  691.573   6.7449  1655.48   32.284  1722.69   40.331  1535.61   53.866  705.428   8.2606  665.907   11.688 39.52142 14.31206 
1 1 1   -6   20   12 o  1545.88   10.703  8276.21  114.515  8326.44  132.934  8131.71  225.484  1550.36   12.389  1530.58   21.285 19.77820 24.62825 
1 1 1   -6   20   13 o  777.505   6.3197  2092.71   34.008  2166.63   40.160  1905.37   63.934  791.069   7.3351  741.507   12.458 49.56171 14.45686 
1 1 1   -6   20   14 o  488.721   5.3223  826.860   18.003  845.480   20.942  774.146   35.236  494.164   6.1231  472.614   10.772 21.54993 12.39089 
1 1 1   -6   20   15 o  589.091   6.5425  1201.96   26.675  1218.22   33.079  1171.71   45.107  592.930   8.0607  581.142   11.215 11.78845 13.81096 
1 1 1   -6   20   16 o  197.143   7.9425  134.738   10.837  134.738   10.837   0.0000   0.0000  197.143   7.9425  ?   ?  0.000000 7.942481 
1 1 1   -6   20   17 o  162.898   7.9151   92.050   8.9237   90.906   10.390   95.268   17.425  161.540   9.3325  164.453   15.492 -2.913437 18.08548 
1 1 1   -6   20   18 o  162.334   9.5258   91.926   10.656   95.180   13.518   86.585   17.317  164.827   11.930  156.326   16.242 8.500519 20.15301 
1 1 1   -6   20   19 o  240.270   6.3436  200.310   10.549  202.699   12.263  193.512   20.689  241.590   7.3339  234.869   12.775 6.721268 14.73071 
1 1 1   -6   20   20 o   97.985   12.824   34.240   8.4880   32.022   9.8871   40.454   16.551   94.009   15.753  103.770   23.581 -9.761391 28.35864 
1 1 1   -6   22    1 o  649.968   10.823  1462.93   48.686  1462.93   48.686   0.0000   0.0000  649.968   10.823  ?   ?  0.000000 10.82271 
1 1 1   -6   22    2 o  745.100   6.8051  1921.78   35.093  1859.02   59.094  1955.98   43.618  732.622   11.654  751.641   8.3845 -19.01904 14.35687 
1 1 1   -6   22    3 o  393.375   6.2769  535.654   17.089  535.654   17.089   0.0000   0.0000  393.375   6.2769  ?   ?  0.000000 6.276863 
1 1 1   -6   22    6 o  352.411   5.1730  429.839   12.617  394.293   20.295  452.236   16.109  337.481   8.6887  361.461   6.4393 -23.97995 10.81469 
1 1 1   -6   22    7 o  1084.01   7.8301  4067.56   58.746  4008.91   81.852  4129.85   84.365  1076.03   10.991  1092.13   11.161 -16.10107 15.66423 
1 1 1   -6   22    8 o  482.447   4.8832  805.535   16.306  822.091   23.074  789.023   23.045  487.358   6.8408  477.454   6.9737 9.904053 9.768742 
1 1 1   -6   22    9 o  258.269   5.1904  230.853   9.2779  229.619   12.641  232.295   13.660  257.566   7.0911  259.059   7.6187 -1.492889 10.40809 
1 1 1   -6   22   10 o  1027.88   10.721  3658.04   76.271  3658.04   76.271   0.0000   0.0000  1027.88   10.721  ?   ?  0.000000 10.72121 
1 1 1   -6   22   11 o  672.615   6.7969  1566.01   31.641  1572.19   55.205  1562.98   38.613  673.763   11.838  671.921   8.3031 1.841736 14.45996 
1 1 1   -6   22   12 o  836.129   13.284  2422.44   76.877   0.0000   0.0000  2422.44   76.877  ?   ?   836.129   13.284 0.000000 13.28447 
1 1 1   -6   22   13 o  541.027   6.2203  1013.33   23.292  1078.22   29.232  900.488   38.548  558.030   7.5687  509.812   10.925 48.21756 13.29044 
1 1 1   -6   22   14 o  282.002   11.617  275.756   22.675   0.0000   0.0000  275.756   22.675  ?   ?   282.002   11.617 0.000000 11.61745 
1 1 1   -6   22   15 f  628.832   5.7153  1369.41   24.874  1409.64   29.143  1261.46   47.735  637.925   6.6008  602.879   11.440 35.04596 13.20789 
1 1 1   -6   22   16 o  187.136   14.467  122.683   18.592   0.0000   0.0000  122.683   18.592  ?   ?   187.136   14.467 0.000000 14.46701 
1 1 1   -6   22   17 o  113.655   10.791   45.314   8.3867   40.419   9.5873   61.268   17.309  106.891   13.243  130.621   19.763 -23.72920 23.78992 
1 1 1   -6   22   18 o  146.028   8.7541   74.360   8.8067   81.758   10.392   55.512   16.588  152.993   9.8670  123.852   20.036 29.14107 22.33352 
1 1 1   -6   22   19 o  177.350   8.1091  109.344   9.9536  104.406   11.651  122.683   19.149  172.850   9.7794  186.262   14.981 -13.41241 17.89046 
1 1 1   -6   22   20 o  159.378   8.4814   88.718   9.3219   83.907   10.714  103.707   18.913  154.692   10.062  170.389   16.234 -15.69664 19.09894 
1 1 1   -6   24    1 o  616.113   7.4479  1314.15   31.759  1316.58   44.880  1311.71   44.950  616.558   10.517  615.413   10.553 1.145020 14.89897 
1 1 1   -6   24    2 o  463.900   4.6797  744.848   15.025  742.349   21.108  747.415   21.392  463.083   6.5858  464.659   6.6520 -1.575928 9.360651 
1 1 1   -6   24    3 o  151.724   7.0111   79.692   7.3624   94.537   12.880   72.486   8.9729  164.813   11.360  144.404   9.0232 20.40926 14.50789 
1 1 1   -6   24    4 o  1105.00   7.9472  4227.19   60.779  4143.46   84.227  4318.17   87.793  1093.79   11.126  1116.59   11.360 -22.80249 15.90114 
1 1 1   -6   24    7 o  811.766   6.3099  2280.75   35.451  2293.52   50.278  2268.11   49.993  813.972   8.9247  809.451   8.9237 4.521912 12.62072 
1 1 1   -6   24    8 o  912.457   6.8745  2881.69   43.414  2877.77   61.065  2885.69   61.735  911.760   9.6769  913.010   9.7696 -1.249817 13.75091 
1 1 1   -6   24    9 o  788.036   7.1460  2149.45   38.975  2143.49   47.670  2161.46   67.691  786.904   8.7528  790.077   12.379 -3.173340 15.16076 
1 1 1   -6   24   10 o  119.251   14.988   50.042   12.097   0.0000   0.0000   50.042   12.097  ?   ?   119.251   14.988 0.000000 14.98797 
1 1 1   -6   24   11 o  998.301   14.998  3453.66  103.627  3453.66  103.627   0.0000   0.0000  998.301   14.998  ?   ?  0.000000 14.99800 
1 1 1   -6   24   12 o  567.371   5.4056  1114.25   21.227  1137.57   24.603  1046.34   41.986  573.256   6.2009  549.606   11.038 23.64996 12.66022 
1 1 1   -6   24   13 o  457.491   5.9253  724.572   18.762  727.093   22.627  719.024   33.564  458.246   7.1342  455.539   10.646 2.707458 12.81498 
1 1 1   -6   24   14 o  371.064   5.9917  476.770   15.388  506.691   18.560  410.976   27.522  382.487   7.0110  344.225   11.552 38.26181 13.51310 
1 1 1   -6   24   15 o  351.995   5.3195  429.064   12.959  434.765   14.921  411.561   26.146  354.288   6.0852  344.353   10.971 9.935211 12.54528 
1 1 1   -6   24   16 o  116.722   10.098   47.657   8.0772   51.743   9.2235   34.215   16.729  121.533   11.087   96.637   24.867 24.89581 27.22714 
1 1 1   -6   24   17 o  328.887   6.3025  374.969   14.346  378.161   17.571  368.585   24.848  330.144   7.6896  325.492   11.030 4.651245 13.44586 
1 1 1   -6   24   18 o  279.878   5.8019  271.593   11.239  271.588   13.002  271.610   22.353  279.784   6.7142  279.091   11.572 0.6932983 13.37879 
1 1 1   -6   24   19 o  210.501   6.9049  153.878   10.060  148.888   11.434  170.976   21.164  206.939   7.9832  220.282   13.954 -13.34370 16.07629 
1 1 1   -6   24   20 o  136.953   11.941   66.266   11.205   66.266   11.205   0.0000   0.0000  136.953   11.941  ?   ?  0.000000 11.94096 
1 1 1   -6   26    1 o  773.260   6.0835  2069.73   32.558  2012.30   44.774  2134.18   47.428  762.359   8.4857  785.094   8.7284 -22.73462 12.17345 
1 1 1   -6   26    2 o  722.124   6.7065  1805.11   33.518  1828.00   41.463  1761.95   56.942  726.630   8.2446  713.224   11.535 13.40643 14.17875 
1 1 1   -6   26    3 o  1060.41   7.6846  3892.72   56.399  3777.05   77.418  4023.53   82.328  1044.36   10.711  1077.87   11.036 -33.51367 15.37877 
1 1 1   -6   26    4 o  595.741   6.0736  1228.42   25.043  1319.51   46.245  1190.63   29.788  617.301   10.824  586.478   7.3387 30.82312 13.07726 
1 1 1   -6   26    5 o  1128.05   9.3210  4405.36   72.773  4251.22  121.068  4492.56   91.060  1107.72   15.791  1139.04   11.551 -31.31738 19.56502 
1 1 1   -6   26    6 o  1088.44   7.8750  4100.77   59.324  4066.87   83.187  4135.86   84.625  1083.80   11.090  1092.95   11.187 -9.148804 15.75254 
1 1 1   -6   26    7 o  323.813   4.6873  362.887   10.505  354.012   14.530  372.606   15.205  319.816   6.5644  328.107   6.6957 -8.290588 9.376755 
1 1 1   -6   26    8 o  1027.20   8.6676  3652.39   61.621  3639.68   75.358  3678.05  107.052  1025.34   10.619  1030.51   15.009 -5.174683 18.38607 
1 1 1   -6   26    9 o  664.270   5.6592  1527.20   26.018  1514.89   36.245  1540.30   37.371  661.542   7.9162  667.063   8.0946 -5.521362 11.32206 
1 1 1   -6   26   10 o  680.724   8.0886  1604.15   38.108  1604.15   38.108   0.0000   0.0000  680.724   8.0886  ?   ?  0.000000 8.088585 
1 1 1   -6   26   11 o  374.669   9.6757  486.098   25.090  486.098   25.090   0.0000   0.0000  374.669   9.6757  ?   ?  0.000000 9.675708 
1 1 1   -6   26   12 o  904.030   13.991  2833.17   87.542  2833.17   87.542   0.0000   0.0000  904.030   13.991  ?   ?  0.000000 13.99118 
1 1 1   -6   26   13 o  365.308   7.5082  462.147   18.983  440.341   26.065  486.780   27.703  356.459   10.565  374.778   10.680 -18.31940 15.02284 
1 1 1   -6   26   14 o  180.102   7.8387  112.383   9.7711  112.383   9.7711   0.0000   0.0000  180.102   7.8387  ?   ?  0.000000 7.838722 
1 1 1   -6   26   15 o  137.865   9.7055   66.265   9.2017   64.824   10.873   69.902   17.273  136.124   11.653  140.359   18.210 -4.235016 21.61977 
1 1 1   -6   26   16 o  115.238   10.139   46.478   8.0039   49.474   9.1523   36.737   16.504  118.770   11.269  100.037   24.119 18.73304 26.62121 
1 1 1   -6   26   17 o  190.118   8.8168  125.538   11.601  120.980   14.662  133.171   18.973  186.059   11.441  194.751   14.173 -8.692032 18.21486 
1 1 1   -6   26   18 o  157.186   8.3642   86.105   9.0667   90.131   10.342   72.732   18.848  160.692   9.3390  142.054   19.701 18.63788 21.80260 
1 1 1   -6   26   19 o  192.176   7.2444  128.325   9.6355  133.772   10.773  106.537   21.546  196.132   7.9360  172.322   18.348 23.81017 19.99036 
1 1 1   -6   26   20 o   98.754   13.103   34.904   8.7344   42.013   9.8932   9.7756   18.599  108.402   13.477   66.582   26.638 41.81960 29.85303 
1 1 1   -6   28    1 o  426.649   4.6815  630.004   13.824  584.296   18.767  684.221   20.440  410.855   6.5999  444.600   6.6424 -33.74484 9.363794 
1 1 1   -6   28    2 o  887.306   7.7479  2725.44   47.581  2617.07   79.077  2786.94   59.572  869.218   13.145  897.182   9.5936 -27.96368 16.27319 
1 1 1   -6   28    3 o  1286.64   9.0488  5731.10   80.580  5621.01  111.665  5850.72  116.396  1273.97   12.664  1299.71   12.939 -25.74731 18.10558 
1 1 1   -6   28    4 o  564.755   5.9014  1103.92   23.067  1087.32   39.010  1112.84   28.603  560.408   10.058  567.010   7.2887 -6.602112 12.42094 
1 1 1   -6   28    5 o  888.524   7.7992  2732.71   47.962  2714.63   83.287  2741.68   58.666  885.357   13.592  889.927   9.5248 -4.570068 16.59706 
1 1 1   -6   28    6 o  1138.15   8.1613  4483.88   64.289  4474.21   90.675  4493.67   91.163  1136.78   11.525  1139.25   11.562 -2.467407 16.32469 
1 1 1   -6   28    7 o  1904.20   12.912 12555.51  170.166 12345.56  236.086 12782.53  245.490  1887.66   18.071  1920.72   18.467 -33.06567 25.83732 
1 1 1   -6   28    9 o  962.360   7.1988  3205.77   47.949  3202.64   67.448  3208.98   68.177  961.769   10.133  962.717   10.232 -0.9473267 14.40018 
1 1 1   -6   28   10 o  512.858   9.6777  910.732   34.352  910.732   34.352   0.0000   0.0000  512.858   9.6777  ?   ?  0.000000 9.677687 
1 1 1   -6   28   11 o  541.850   5.3770  1016.25   20.165  1026.11   27.987  1005.61   29.080  544.416   7.4275  538.940   7.7960 5.475952 10.76779 
1 1 1   -6   28   12 o  466.900   6.3107  754.694   20.393  760.976   34.547  751.334   25.264  468.662   10.651  465.808   7.8364 2.854431 13.22296 
1 1 1   -6   28   13 o  523.674   6.0132  949.524   21.794  947.519   26.094  954.146   39.631  523.058   7.2081  524.618   10.915 -1.559998 13.07999 
1 1 1   -6   28   14 o   85.144   12.783   25.732   7.3000   25.047   8.0283   29.000   17.541   83.720   14.373   90.059   26.421 -6.338264 30.07700 
1 1 1   -6   28   15 o  232.048   6.5623  186.577   10.539  186.577   10.539   0.0000   0.0000  232.048   6.5623  ?   ?  0.000000 6.562345 
1 1 1   -6   28   16 o   37.454   16.088  -0.5048   7.5004  -1.1854   8.6464   1.5644   15.076   39.510   17.122   55.109   23.204 -15.59922 28.83726 
1 1 1   -6   28   17 o  193.324   6.8568  129.643   9.1745  125.401   10.471  143.658   19.032  190.056   7.9606  202.345   13.670 -12.28854 15.81918 
1 1 1   -6   28   18 o  162.354   10.353   92.215   11.573   93.033   14.254   90.634   19.824  162.619   12.767  159.126   18.335 3.492569 22.34216 
1 1 1   -6   28   19 o   69.119   18.587   17.585   9.0848   17.585   9.0848   0.0000   0.0000   69.119   18.587  ?   ?  0.000000 18.58714 
1 1 1   -6   28   20 o  144.857   9.0125   73.536   8.9909   70.847   10.025   84.585   20.323  141.905   10.277  152.011   19.786 -10.10568 22.29578 
1 1 1   -6   30    1 o  1082.78   9.0397  4058.79   67.744  3942.42   80.572  4339.51  125.137  1067.05   10.910  1119.12   16.156 -52.06995 19.49473 
1 1 1   -6   30    2 o  754.305   6.9340  1969.42   36.200  1959.15   44.230  1990.24   63.004  752.295   8.4947  758.115   12.008 -5.820557 14.70855 
1 1 1   -6   30    3 o  979.965   7.2572  3324.05   49.222  3302.89   69.198  3345.71   70.029  976.732   10.236  983.041   10.293 -6.308289 14.51622 
1 1 1   -6   30    4 o  636.997   5.4750  1404.34   24.138  1426.07   34.502  1383.51   33.782  641.867   7.7664  632.217   7.7205 9.650208 10.95094 
1 1 1   -6   30    6 o  482.326   10.223  805.366   34.127  805.366   34.127   0.0000   0.0000  482.326   10.223  ?   ?  0.000000 10.22307 
1 1 1   -6   30    7 o  985.744   8.3979  3363.51   57.294  3301.03   69.138  3500.49  102.368  976.481   10.230  1005.33   14.712 -28.85223 17.91927 
1 1 1   -6   30    8 o  1283.61   9.0668  5703.95   80.550  5551.22  110.578  5876.62  117.573  1266.09   12.619  1302.64   13.041 -36.54688 18.14681 
1 1 1   -6   30    9 o  478.642   5.0826  792.921   16.837  793.257   23.297  792.555   24.361  478.711   7.0316  478.493   7.3561 0.2180176 10.17620 
1 1 1   -6   30   10 o  771.934   6.2292  2062.64   33.281  2072.62   46.959  2052.56   47.174  773.698   8.7693  769.942   8.8525 3.755981 12.46067 
1 1 1   -6   30   11 o  407.784   5.1667  575.585   14.582  564.248   19.828  588.940   21.520  403.707   7.0962  412.434   7.5391 -8.726837 10.35345 
1 1 1   -6   30   12 o  228.018   7.7369  180.052   12.210  156.293   20.212  193.704   15.322  211.822   13.863  236.465   9.3618 -24.64253 16.72821 
1 1 1   -6   30   13 o  571.614   7.4537  1131.83   29.489  1131.83   29.489   0.0000   0.0000  571.614   7.4537  ?   ?  0.000000 7.453727 
1 1 1   -6   30   14 o  294.444   6.3930  300.323   13.028  313.316   16.039  275.122   22.338  300.677   7.7071  281.505   11.465 19.17151 13.81474 
1 1 1   -6   30   15 o   93.596   12.417   30.995   7.8450   27.902   9.0260   40.546   15.863   88.209   15.342  105.445   22.426 -17.23575 27.17166 
1 1 1   -6   30   16 o  244.439   6.4214  207.132   10.864  204.047   12.801  215.073   20.538  242.525   7.6264  248.547   11.939 -6.022659 14.16684 
1 1 1   -6   30   17 o  179.757   6.8885  112.109   8.5701  105.828   9.5259  138.781   19.630  174.579   7.8838  198.639   14.375 -24.06091 16.39518 
1 1 1   -6   30   18 o   98.861   11.620   34.595   7.7990   28.193   8.4574   70.976   20.162   88.563   14.284  139.500   21.579 -50.93674 25.87846 
1 1 1   -6   30   19 o   85.551   18.247   27.003   10.475   19.546   12.366   45.946   19.709   73.214   22.354  109.866   26.274 -36.65113 34.49633 
1 1 1   -6   32    1 o  1701.46   13.427 10025.62  158.113  9894.76  190.828 10312.20  282.394  1690.02   16.314  1724.27   23.663 -34.24377 28.74212 
1 1 1   -6   32    2 f  417.544   6.7853  603.436   19.609   0.0000   0.0000  603.436   19.609  ?   ?   417.544   6.7853 0.000000 6.785306 
1 1 1   -6   32    3 o  892.903   7.8120  2759.66   48.277  2689.76   81.258  2797.80   60.018  881.328   13.321  898.997   9.6460 -17.66937 16.44706 
1 1 1   -6   32    4 o  528.513   5.0901  966.719   18.619  951.910   26.073  982.130   26.598  524.425   7.1833  532.684   7.2144 -8.259033 10.18075 
1 1 1   -6   32    5 o  995.987   7.3700  3433.52   50.804  3389.37   70.940  3480.00   72.791  989.468   10.359  1002.60   10.490 -13.13702 14.74253 
1 1 1   -6   32    6 o  1740.58   11.894 10489.80  143.290 10142.54  195.091 10896.57  211.145  1711.10   16.473  1773.48   17.202 -62.38147 23.81766 
1 1 1   -6   32    7 o  479.081   10.355  794.634   34.335  794.634   34.335   0.0000   0.0000  479.081   10.355  ?   ?  0.000000 10.35496 
1 1 1   -6   32    8 o  285.225   5.1891  281.567   10.244  268.688   13.895  296.901   15.161  278.607   7.2059  292.866   7.4798 -14.25894 10.38616 
1 1 1   -6   32    9 o  786.010   12.236  2140.00   66.563  2140.00   66.563   0.0000   0.0000  786.010   12.236  ?   ?  0.000000 12.23575 
1 1 1   -6   32   12 o  579.616   6.3106  1163.26   25.316  1196.48   30.876  1095.12   44.219  587.759   7.5902  562.020   11.368 25.73840 13.66894 
1 1 1   -6   32   13 o  717.784   7.0565  1784.77   35.056  1832.19   61.734  1762.19   42.588  726.502   12.277  713.049   8.6296 13.45337 15.00687 
1 1 1   -6   32   14 o  181.121   7.0552  113.680   8.8442  116.864   10.183  103.902   17.844  183.604   8.0134  172.080   15.136 11.52368 17.12659 
1 1 1   -6   32   15 o  265.942   5.3251  244.999   9.8015  240.195   11.037  262.927   21.321  263.282   6.0568  275.019   11.202 -11.73651 12.73421 
1 1 1   -6   32   16 o  285.833   8.0604  283.580   15.946  283.580   15.946   0.0000   0.0000  285.833   8.0604  ?   ?  0.000000 8.060350 
1 1 1   -6   32   17 o   88.447   11.923   27.779   7.1126   26.490   7.7550   34.605   17.848   86.035   13.465   96.438   26.103 -10.40294 29.37125 
1 1 1   -6   32   19 o  171.644   10.056  103.284   11.895   95.724   14.271  120.488   21.527  164.603   12.623  183.287   17.170 -18.68391 21.31076 
1 1 1   -6   34    1 o  1209.08   8.6050  5060.31   72.008  4939.00   99.325  5194.70  104.545  1194.35   12.016  1224.86   12.332 -30.50952 17.21805 
1 1 1   -6   34    2 o  1239.14   10.160  5315.58   87.135  5189.08  103.943  5614.63  159.818  1224.20   12.268  1273.00   18.139 -48.79980 21.89818 
1 1 1   -6   34    3 o  1921.67   13.031 12786.98  173.320 12495.08  238.771 13112.08  251.985  1899.07   18.166  1945.32   18.716 -46.25146 26.08233 
1 1 1   -6   34    4 o  924.092   8.0513  2955.83   51.494  2959.02   88.510  2954.19   63.311  924.379   13.835  923.780   9.9023 0.5985718 17.01327 
1 1 1   -6   34    5 o  1047.55   7.6772  3798.31   55.661  3705.19   76.797  3901.36   80.788  1034.51   10.726  1061.53   10.996 -27.02112 15.36091 
1 1 1   -6   34    6 o  910.789   9.7486  2871.84   61.452  2871.84   61.452   0.0000   0.0000  910.789   9.7486  ?   ?  0.000000 9.748641 
1 1 1   -6   34    7 o  1347.56   9.4634  6286.94   88.261  6217.18  123.288  6360.28  126.411  1339.77   13.296  1355.08   13.479 -15.31396 18.93277 
1 1 1   -6   34    8 o  1575.35   12.599  8596.39  137.373  8068.29  222.733  8920.59  174.518  1524.89   21.104  1604.36   15.717 -79.47046 26.31354 
1 1 1   -6   34    9 f  708.286   5.9686  1736.50   29.259  1682.98   40.131  1797.24   42.749  697.201   8.3167  720.468   8.5731 -23.26752 11.94421 
1 1 1   -6   34   10 o  987.024   7.3835  3372.99   50.439  3322.44   69.882  3427.96   72.875  979.372   10.310  994.778   10.585 -15.40558 14.77571 
1 1 1   -6   34   11 o  155.963   8.0638   84.468   8.6747  100.743   11.602   63.832   13.064  170.233   9.8894  134.908   14.205 35.32547 17.30825 
1 1 1   -6   34   12 o  150.458   8.1908   78.663   8.4973   85.471   11.117   69.096   13.178  156.676   10.310  140.408   13.737 16.26706 17.17513 
1 1 1   -6   34   13 o  463.161   5.1800  742.826   16.605  752.469   23.009  732.347   23.987  466.024   7.1337  459.719   7.5390 6.305817 10.37908 
1 1 1   -6   34   14 o  226.031   7.1036  177.077   11.113  170.390   13.672  190.098   19.078  221.623   8.9132  233.573   11.840 -11.95010 14.81984 
1 1 1   -6   34   15 o  463.026   5.0197  742.665   16.087  754.360   18.496  706.341   32.597  466.587   5.7275  450.808   10.447 15.77817 11.91424 
1 1 1   -6   34   16 o  217.651   5.8259  164.216   8.7762  167.373   9.8492  152.049   19.335  219.689   6.4776  208.231   13.489 11.45784 14.96337 
1 1 1   -6   34   17 o  117.597   10.079   48.514   8.1239   48.514   8.1239   0.0000   0.0000  117.597   10.079  ?   ?  0.000000 10.07879 
1 1 1   -6   34   18 o  152.738   7.6974   81.320   8.1110   81.195   8.8230   82.000   20.609  152.517   8.3907  150.227   20.344 2.289810 22.00665 
1 1 1   -6   34   19 o   43.673   17.188   4.1024   7.6247   6.7531   8.3022 -10.1805   19.272   49.000   18.265   52.448   23.930 -3.447739 30.10427 
1 1 1   -6   36    1 o  733.296   5.9916  1861.06   30.409  1782.26   41.417  1953.23   44.791  717.560   8.3395  751.183   8.6152 -33.62286 11.99038 
1 1 1   -6   36    2 o  1489.63   10.328  7681.99  106.480  7532.50  147.432  7844.98  153.952  1474.80   14.444  1505.05   14.779 -30.25244 20.66532 
1 1 1   -6   36    3 f  954.086   8.2782  3150.89   54.664  3104.23   65.770  3255.12   98.304  946.938   10.035  969.474   14.651 -22.53571 17.75808 
1 1 1   -6   36    4 o  697.605   5.8607  1684.32   28.297  1704.90   40.229  1664.18   39.810  701.805   8.2821  693.373   8.2955 8.431763 11.72218 
1 1 1   -6   36    5 o  181.707   7.3743  114.286   9.2740  105.149   11.292  133.219   16.256  174.025   9.4103  195.772   12.056 -21.74704 15.29351 
1 1 1   -6   36    6 o  1023.78   7.5660  3628.19   53.611  3588.69   74.987  3669.48   76.676  1018.05   10.642  1029.44   10.762 -11.38824 15.13519 
1 1 1   -6   36    8 o  230.175   6.1725  183.390   9.8332  178.076   13.744  188.962   14.074  226.786   8.7566  233.615   8.7043 -6.829193 12.34677 
1 1 1   -6   36    9 o  245.323   7.2245  208.359   12.267  209.171   20.845  207.929   15.172  245.700   12.258  245.041   8.9457 0.6587372 15.17497 
1 1 1   -6   36   10 o  350.442   6.2322  425.168   15.116  413.220   25.682  431.501   18.698  345.341   10.745  353.005   7.6529 -7.664185 13.19165 
1 1 1   -6   36   11 o  520.414   6.0298  937.738   21.718  946.713   26.532  919.512   37.809  522.830   7.3323  515.039   10.607 7.791931 12.89440 
1 1 1   -6   36   12 o  471.583   5.1632  770.021   16.852  774.313   23.448  765.436   24.236  472.775   7.1661  470.037   7.4499 2.737732 10.33700 
1 1 1   -6   36   13 o  372.582   5.1062  480.725   13.167  481.392   17.771  479.912   19.607  372.733   6.8886  372.106   7.6132 0.6264648 10.26708 
1 1 1   -6   36   14 o  169.258   10.485   99.895   12.222   87.024   17.215  112.976   17.354  157.080   16.060  179.525   14.080 -22.44531 21.35825 
1 1 1   -6   36   15 o  220.313   6.2564  168.257   9.5398  166.813   11.153  172.195   18.415  219.294   7.3484  222.042   12.028 -2.748825 14.09484 
1 1 1   -6   36   16 o  280.725   5.1801  273.121   10.065  269.232   11.182  289.707   23.093  278.667   5.7980  288.269   11.575 -9.602570 12.94569 
1 1 1   -6   36   17 o  148.598   7.8713   76.956   8.0666   76.956   8.0666   0.0000   0.0000  148.598   7.8713  ?   ?  0.000000 7.871336 
1 1 1   -6   36   18 o  109.025   9.5292   41.769   7.1183   41.015   7.7167   46.073   18.435  107.858   10.469  110.484   24.726 -2.625145 26.85067 
1 1 1   -6   38    1 o  1205.01   9.9442  5026.86   82.935  4806.83  137.141  5153.73  104.134  1177.92   16.822  1219.99   12.333 -42.07544 20.85834 
1 1 1   -6   38    2 o  652.428   5.6379  1473.22   25.458  1439.61   35.338  1509.49   36.707  644.902   7.9172  660.367   8.0313 -15.46545 11.27761 
1 1 1   -6   38    3 o  1158.30   8.3401  4644.30   66.861  4575.58   93.037  4717.69   96.150  1149.54   11.694  1167.24   11.902 -17.70227 16.68530 
1 1 1   -6   38    4 o  926.220   7.0399  2969.45   45.129  2832.21   60.883  3136.82   67.234  904.468   9.7257  951.844   10.206 -47.37555 14.09786 
1 1 1   -6   38    5 o  652.783   6.5656  1474.97   29.663  1490.24   50.689  1467.01   36.581  656.016   11.164  650.981   8.1192 5.035156 13.80432 
1 1 1   -6   38    6 o  1137.84   8.2399  4482.14   64.890  4446.11   90.955  4519.50   92.605  1133.04   11.599  1142.34   11.713 -9.303955 16.48382 
1 1 1   -6   38    7 o  606.670   6.3498  1274.01   26.662  1222.44   43.413  1305.23   33.783  594.123   10.558  614.013   7.9496 -19.88965 13.21593 
1 1 1   -6   38    8 f  605.816   5.5535  1270.39   23.285  1254.69   32.452  1287.04   33.431  601.991   7.7888  609.696   7.9225 -7.704956 11.11001 
1 1 1   -6   38    9 o  433.546   6.1466  650.700   18.444  616.097   31.393  668.939   22.792  421.698   10.756  439.540   7.4922 -17.84250 13.10816 
1 1 1   -6   38   10 o  490.406   6.2447  832.696   21.195  749.756   33.976  885.537   27.120  465.117   10.554  505.656   7.7491 -40.53851 13.09369 
1 1 1   -6   38   11 o  317.300   5.3212  348.587   11.686  337.975   15.798  361.410   17.365  312.361   7.3075  322.988   7.7682 -10.62729 10.66511 
1 1 1   -6   38   12 o  366.859   5.1297  466.036   13.025  466.129   17.752  465.928   19.170  366.796   6.9926  366.681   7.5536 0.1151733 10.29330 
1 1 1   -6   38   13 o  351.160   5.8833  427.190   14.299  431.122   22.741  424.618   18.389  352.490   9.3213  349.978   7.5917 2.511719 12.02169 
1 1 1   -6   38   14 o   51.645   17.524   8.6607   7.4718   4.7605   9.5407   14.847   12.016   48.749   19.214   66.629   22.224 -17.87925 29.37806 
1 1 1   -6   38   15 o  327.914   6.6754  372.913   15.150  372.146   19.445  374.098   24.168  327.345   8.5826  327.886   10.650 -0.5409546 13.67771 
1 1 1   -6   38   16 o   86.316   13.747   26.703   7.9372   26.703   7.9372   0.0000   0.0000   86.316   13.747  ?   ?  0.000000 13.74711 
1 1 1   -6   38   17 o   75.684   13.175   20.642   6.6505   18.210   7.0524   40.176   19.986   70.666   14.889  103.010   27.513 -32.34398 31.28353 
1 1 1   -6   38   18 o   64.835   16.330   15.488   7.3238   13.322   7.8859   29.083   19.753   60.525   17.703   88.545   28.430 -28.01941 33.49118 
1 1 1   -6   40    1 o  1170.89   9.7290  4746.46   78.843  4447.81  127.597  4930.91  100.277  1133.01   16.272  1193.28   12.142 -60.27124 20.30242 
1 1 1   -6   40    2 o  594.607   5.4594  1223.68   22.467  1179.39   30.882  1273.49   32.747  583.707   7.6442  606.541   7.8008 -22.83453 10.92187 
1 1 1   -6   40    3 o  1431.94   10.004  7099.38   99.150  6835.65  134.540  7412.87  146.684  1404.77   13.838  1462.81   14.488 -58.04102 20.03499 
1 1 1   -6   40    4 o  1548.14   15.136  8304.54  162.179  8304.54  162.179   0.0000   0.0000  1548.14   15.136  ?   ?  0.000000 15.13591 
1 1 1   -6   40    5 o  1255.91   10.308  5461.96   89.597  5331.34  107.136  5765.85  163.415  1240.62   12.477  1289.48   18.311 -48.85889 22.15761 
1 1 1   -6   40    6 o  660.273   5.8022  1509.02   26.515  1503.82   37.259  1514.35   37.741  659.059   8.1683  661.362   8.2451 -2.302307 11.60619 
1 1 1   -6   40    7 o  294.612   5.5159  300.437   11.247  280.739   15.241  323.991   16.666  284.758   7.7332  305.905   7.8719 -21.14749 11.03488 
1 1 1   -6   40    8 o  1175.59   8.4768  4785.84   68.971  4644.25   94.413  4947.87  100.999  1157.70   11.783  1194.88   12.213 -37.18506 16.97042 
1 1 1   -6   40    9 o  349.152   6.3072  422.077   15.242  411.220   25.882  427.841   18.858  344.465   10.856  351.484   7.7522 -7.018921 13.33985 
1 1 1   -6   40   10 o  219.301   8.0859  166.611   12.273  158.098   20.121  171.654   15.488  212.968   13.724  222.529   10.056 -9.560867 17.01364 
1 1 1   -6   40   11 o  210.356   7.7267  153.329   11.249  155.707   18.848  152.014   14.020  211.339   12.948  209.374   9.6751 1.964935 16.16378 
1 1 1   -6   40   12 o  275.825   6.2173  263.561   11.869  263.951   18.273  263.276   15.610  275.827   9.5719  275.568   8.1846 0.2591553 12.59404 
1 1 1   -6   40   13 o  312.130   5.2444  337.470   11.329  348.926   15.441  324.110   16.675  317.263   7.0321  305.705   7.8809 11.55731 10.56209 
1 1 1   -6   40   14 o  333.536   5.1768  385.424   11.950  425.139   16.659  343.324   17.152  350.144   6.8744  314.553   7.8786 35.59088 10.45614 
1 1 1   -6   40   15 o  112.317   8.4553   44.069   6.5246   45.483   7.1501   37.034   15.952  114.026   9.1368  100.050   23.446 13.97537 25.16324 
1 1 1   -6   40   16 o   96.485   11.006   32.886   7.2178   35.084   7.9286   22.254   17.441   99.563   11.731   80.055   26.775 19.50832 29.23251 
1 1 1   -6   40   17 f  100.532   10.924   35.723   7.4784   37.093   8.1253   28.137   19.126  102.313   11.684   87.635   27.958 14.67823 30.30096 
1 1 1   -6   40   18 f  113.142   8.8187   44.931   6.8511   45.157   7.3258   43.356   19.349  113.315   9.4264  106.055   26.450 7.259689 28.07915 
1 1 1   -6   42    1 o  249.201   5.8262  214.946   10.049  222.960   14.043  206.537   14.385  253.783   7.9952  244.252   8.5094 9.530685 11.67614 
1 1 1   -6   42    2 o  655.436   5.7769  1486.93   26.206  1474.95   36.862  1499.17   37.263  652.728   8.1596  658.065   8.1815 -5.336731 11.55491 
1 1 1   -6   42    3 o  1131.76   9.4656  4434.95   74.144  4412.51   90.428  4480.98  129.515  1128.74   11.575  1136.99   16.458 -8.251709 20.12126 
1 1 1   -6   42    4 o  608.941   5.6249  1283.47   23.707  1254.60   32.736  1315.31   34.377  601.994   7.8569  616.380   8.0582 -14.38574 11.25458 
1 1 1   -6   42    5 o  887.804   7.9642  2728.84   48.937  2673.58   58.440  2858.54   89.527  878.677   9.6096  908.203   14.243 -29.52612 17.18141 
1 1 1   -6   42    6 o  864.953   7.7795  2590.28   46.571  2505.85   77.136  2638.71   58.421  850.356   13.106  872.884   9.6702 -22.52820 16.28765 
1 1 1   -6   42    7 o  563.042   7.6693  1097.68   29.886  1097.68   29.886   0.0000   0.0000  563.042   7.6693  ?   ?  0.000000 7.669305 
1 1 1   -6   42    8 o  475.542   5.2768  782.837   17.368  741.657   23.345  833.878   25.990  462.795   7.2884  490.709   7.6526 -27.91391 10.56801 
1 1 1   -6   42    9 f  343.378   7.1915  408.364   17.091  408.364   17.091   0.0000   0.0000  343.378   7.1915  ?   ?  0.000000 7.191498 
1 1 1   -6   42   10 o  381.512   5.1778  503.965   13.672  489.213   18.249  522.836   20.640  375.800   7.0164  388.461   7.6770 -12.66086 10.40031 
1 1 1   -6   42   11 o  155.057   9.7535   83.732   10.414   67.902   17.344   92.656   13.022  138.258   18.597  162.938   11.624 -24.67969 21.93088 
1 1 1   -6   42   12 o  224.276   7.4590  174.374   11.578  166.098   19.104  179.180   14.556  218.156   12.707  227.236   9.2554 -9.080597 15.72072 
1 1 1   -6   42   13 o   81.929   13.598   24.009   7.4402   17.777   9.5768   33.498   11.817   70.056   19.187   96.191   18.421 -26.13454 26.59815 
1 1 1   -6   42   14 o  232.551   5.8155  187.455   9.3601  195.513   12.567  177.415   14.027  237.355   7.6499  225.983   8.9686 11.37193 11.78800 
1 1 1   -6   42   15 f   99.373   13.035   35.091   8.7492   39.022   10.326   25.088   16.473  104.539   14.676   83.409   25.857 21.12962 29.73148 
1 1 1   -6   42   16 f   23.474   11.409 -10.1744   5.8667 -12.9801   6.2217   12.327   17.619   22.829   11.231   68.654   26.377 -45.82460 28.66829 
1 1 1   -6   42   17 o  188.249   6.6206  123.128   8.6259  109.969   9.3316  200.390   22.612  177.795   7.5833  238.197   13.775 -60.40132 15.72424 
1 1 1   -6   44    1 o  670.313   5.8495  1555.25   27.138  1525.33   37.543  1587.99   39.273  663.762   8.1722  677.252   8.3785 -13.48993 11.70402 
1 1 1   -6   44    2 o  653.393   5.7848  1477.73   26.160  1426.24   35.907  1535.98   38.191  641.841   8.0830  666.066   8.2846 -24.22571 11.57446 
1 1 1   -6   44    3 f  726.332   6.1103  1826.14   30.717  1760.01   42.019  1902.03   45.016  712.971   8.5153  741.166   8.7756 -28.19501 12.22786 
1 1 1   -6   44    4 o  919.044   7.0571  2924.07   44.889  2815.88   61.074  3051.17   66.200  901.722   9.7860  938.610   10.190 -36.88763 14.12841 
1 1 1   -6   44    5 o  741.468   7.0941  1903.36   36.406  1832.19   60.207  1944.38   45.708  727.182   11.963  749.326   8.8135 -22.14362 14.85871 
1 1 1   -6   44    6 f  101.547   14.474   36.477   9.8846   45.426   11.392   9.2244   19.881  113.485   14.862   69.953   27.683 43.53210 31.42046 
1 1 1   -6   44    7 o  280.977   6.5033  273.347   12.647  278.341   20.157  270.105   16.241  283.422   10.276  279.257   8.4030 4.164490 13.27429 
1 1 1   -6   44    8 o  415.495   5.2096  597.671   14.981  595.231   20.416  600.518   22.051  414.570   7.1155  416.382   7.6517 -1.811493 10.44886 
1 1 1   -6   44    9 o  658.009   5.7950  1499.33   26.391  1454.96   35.973  1551.05   38.837  648.004   8.0208  669.019   8.3875 -21.01501 11.60531 
1 1 1   -6   44   10 o  524.864   5.3262  953.980   19.348  924.033   26.191  989.958   28.707  516.401   7.3279  534.463   7.7605 -18.06165 10.67355 
1 1 1   -6   44   11 o  336.707   5.9478  392.744   13.861  381.610   21.042  401.278   18.422  331.660   9.1667  340.215   7.8238 -8.555084 12.05158 
1 1 1   -6   44   12 o  209.429   7.6573  152.106   11.099  178.293   18.756  137.995   13.769  226.072   12.031  199.077   10.025 26.99513 15.66016 
1 1 1   -6   44   13 o  123.145   9.0988   52.957   7.7001   49.824   9.8343   57.919   12.379  119.000   12.109  128.033   14.209 -9.033112 18.66878 
1 1 1   -6   44   14 o  182.057   7.6842  115.067   9.6823  119.479   11.193  101.951   19.298  185.429   8.7215  169.591   16.656 15.83810 18.80163 
1 1 1   -6   44   15 o  251.555   5.8412  219.480   10.170  226.872   13.383  209.379   15.645  255.561   7.5664  245.288   9.2155 10.27380 11.92375 
1 1 1   -6   44   16 o  132.765   8.3638   61.582   7.6461   57.310   8.3058   85.317   19.576  127.885   9.4509  153.795   18.781 -25.90950 21.02531 
1 1 1   -6   44   17 o   76.921   12.828   21.353   6.5891   23.877   7.0075   2.0878   19.360   81.432   12.860   60.955   26.005 20.47775 29.01134 
1 1 1   -6   46    1 o  389.816   5.2897  525.971   14.271  515.075   19.519  538.487   20.919  385.718   7.3117  394.378   7.6640 -8.660553 10.59234 
1 1 1   -6   46    2 o  381.625   6.0657  504.141   16.021  495.786   19.419  521.951   28.351  378.421   7.4144  388.189   10.552 -9.767426 12.89678 
1 1 1   -6   46    3 o  734.949   7.1431  1870.06   36.335  1803.42   61.062  1906.59   45.209  721.424   12.229  742.008   8.8032 -20.58337 15.06838 
1 1 1   -6   46    4 o  585.419   5.5660  1186.34   22.552  1118.61   30.488  1268.18   33.514  568.382   7.7502  605.179   8.0013 -36.79736 11.13938 
1 1 1   -6   46    5 o  260.971   6.0038  235.778   10.844  221.542   14.714  252.704   16.044  252.922   8.4056  270.121   8.5819 -17.19865 12.01259 
1 1 1   -6   46    6 o  240.900   6.2056  200.928   10.347  204.972   13.892  195.890   15.505  243.265   8.2510  237.783   9.4216 5.482178 12.52380 
1 1 1   -6   46    7 o  266.135   7.0435  245.299   12.974  250.358   15.339  232.585   24.317  268.826   8.2444  258.508   13.640 10.31778 15.93779 
1 1 1   -6   46    8 o  345.530   5.9716  413.448   14.281  415.729   17.227  408.439   25.533  346.427   7.1851  343.162   10.750 3.265076 12.93049 
1 1 1   -6   46    9 o  229.302   6.2389  182.123   9.9014  168.160   13.030  201.202   15.231  220.248   8.5480  240.887   9.1358 -20.63954 12.51125 
1 1 1   -6   46   10 o  255.753   9.8003  226.976   17.348  226.976   17.348   0.0000   0.0000  255.753   9.8003  ?   ?  0.000000 9.800318 
1 1 1   -6   46   11 o  250.710   5.8238  217.769   10.105  213.807   13.032  223.745   16.004  248.318   7.5826  253.912   9.1071 -5.594406 11.85053 
1 1 1   -6   46   12 o   75.052   18.286   20.542   9.4113   8.7610   14.912   28.341   12.133   62.102   24.154   88.032   20.325 -25.92981 31.56734 
1 1 1   -6   46   13 o  198.708   7.9809  137.076   10.976  144.244   18.898  133.427   13.483  202.791   13.542  195.617   9.9923 7.174545 16.82954 
1 1 1   -6   46   14 o   62.494   16.446   14.231   7.2101   11.825   9.1547   18.163   11.701   58.944   19.386   71.209   21.745 -12.26459 29.13175 
1 1 1   -6   46   15 o   62.644   17.045   14.324   7.5871   14.331   9.8076   14.313   11.973   63.635   19.988   65.265   22.183 -1.630630 29.85974 
1 1 1   -6   46   16 o  184.496   6.0644  118.186   7.7437  112.081   8.3447  156.049   20.781  179.601   6.7131  209.926   14.390 -30.32489 15.87878 
1 1 1   -6   48    1 o  414.597   6.1005  595.060   17.505  613.064   21.343  558.049   30.600  420.788   7.3284  401.328   11.017 19.45953 13.23142 
1 1 1   -6   48    2 o  338.581   5.5069  396.835   12.905  371.011   17.565  427.123   19.022  327.329   7.7532  351.208   7.8257 -23.87949 11.01609 
1 1 1   -6   48    3 o  241.982   6.3183  202.726   10.582  202.040   14.507  203.507   15.469  241.524   8.6786  242.387   9.2208 -0.8623199 12.66262 
1 1 1   -6   48    4 o  468.063   7.6304  758.706   24.719   0.0000   0.0000  758.706   24.719  ?   ?   468.063   7.6304 0.000000 7.630435 
1 1 1   -6   48    5 o  211.128   6.7832  154.357   9.9118  160.245   13.278  146.948   14.896  215.064   8.9205  205.635   10.501 9.428833 13.77873 
1 1 1   -6   48    7 o  196.518   9.3584  133.881   12.729  133.881   12.729   0.0000   0.0000  196.518   9.3584  ?   ?  0.000000 9.358428 
1 1 1   -6   48    8 o  467.349   9.7949  757.561   31.683  757.561   31.683   0.0000   0.0000  467.349   9.7949  ?   ?  0.000000 9.794930 
1 1 1   -6   48    9 o  415.336   5.2582  597.425   15.115  571.861   20.310  629.163   22.630  406.213   7.2239  426.039   7.6746 -19.82611 10.53966 
1 1 1   -6   48   10 o  138.895   8.5860   67.179   8.2134   77.386   10.550   51.476   13.086  148.925   10.299  120.405   16.107 28.52089 19.11794 
1 1 1   -6   48   11 o  279.573   5.5715  270.814   10.781  258.385   13.864  289.823   17.146  272.959   7.3386  288.977   8.5726 -16.01727 11.28473 
1 1 1   -6   48   12 o  191.052   6.6856  126.581   8.8404  121.576   11.331  134.367   14.133  187.097   8.7502  196.270   10.442 -9.172836 13.62324 
1 1 1   -6   48   13 o  138.926   11.065   67.670   10.551   68.780   17.803   67.069   13.100  138.339   19.104  137.782   13.929 0.5570068 23.64272 
1 1 1   -6   48   14 o   55.562   16.832   10.970   7.0315   15.543   8.8739   3.2559   11.527   65.421   18.676   50.245   20.647 15.17603 27.84046 
1 1 1   -6   48   15 o   56.311   17.584   11.200   7.6028   12.644   10.936   9.8497   10.577   61.691   21.197   57.107   20.729 4.583885 29.64800 
1 1 1   -6   48   16 o  142.744   7.1358   70.882   7.0498   69.768   7.5277   78.829   20.107  141.348   7.7240  146.618   20.365 -5.269623 21.78019 
1 1 1   -6   50    1 o  236.288   6.4276  193.316   10.512  182.703   14.107  206.567   15.762  229.653   8.8751  244.178   9.3266 -14.52475 12.87451 
1 1 1   -6   50    2 o  688.767   5.9970  1642.51   28.588  1647.78   40.351  1637.20   40.508  689.701   8.4531  687.478   8.5134 2.222412 11.99721 
1 1 1   -6   50    3 o  355.034   6.2595  436.457   15.381  452.000   26.502  428.563   18.887  361.102   10.604  351.753   7.7581 9.348877 13.13910 
1 1 1   -6   50    4 f  186.642   7.2494  120.654   9.3645  118.274   12.515  123.682   14.115  184.463   9.8386  188.555   10.862 -4.092438 14.65553 
1 1 1   -6   50    5 f  517.724   6.3382  928.260   22.711  898.537   38.198  944.514   28.246  508.999   10.843  522.134   7.8163 -13.13577 13.36650 
1 1 1   -6   50    6 o   89.349   17.168   28.725   10.231   33.517   16.689   25.840   12.950   96.005   24.904   84.425   21.956 11.58089 33.20053 
1 1 1   -6   50    7 o  523.564   5.4497  949.297   19.748  954.007   27.617  944.369   28.249  524.681   7.6050  522.003   7.8191 2.678162 10.90749 
1 1 1   -6   50    8 f  247.806   8.0936  212.900   13.881  212.900   13.881   0.0000   0.0000  247.806   8.0936  ?   ?  0.000000 8.093600 
1 1 1   -6   50    9 o  257.848   6.7790  230.425   12.098  209.805   17.862  247.902   16.444  245.780   10.500  267.302   8.8884 -21.52155 13.75712 
1 1 1   -6   50   10 o   97.351   12.023   33.471   7.9287   37.268   9.9664   26.926   13.086  102.377   14.469   85.797   21.948 16.58035 26.28818 
1 1 1   -6   50   11 o  334.403   5.2707  387.467   12.199  367.736   15.947  415.302   18.940  325.613   7.0760  345.934   7.9108 -20.32083 10.61368 
1 1 1   -6   50   12 o  200.949   7.2182  140.130   10.039  154.986   11.769  100.439   19.236  211.261   8.0489  168.312   16.735 42.94902 18.57006 
1 1 1   -6   50   13 o  289.503   6.7486  290.878   13.522  354.976   24.857  263.938   16.115  318.993   11.259  275.545   8.4501 43.44794 14.07714 
1 1 1   -6   50   14 o   62.187   16.695   14.133   7.3366   23.644   9.3343  -1.2400   11.867   80.278   17.309   46.197   20.040 34.08083 26.48036 
1 1 1   -6   50   15 o   66.144   15.716   16.090   7.0880   21.183   9.0490   8.0032   11.402   75.702   17.604   55.517   21.245 20.18560 27.59065 
1 1 1   -6   52    1 o  215.577   9.1327  161.059   13.626  161.059   13.626   0.0000   0.0000  215.577   9.1327  ?   ?  0.000000 9.132722 
1 1 1   -6   52    2 o  464.293   5.3334  746.374   17.139  759.294   24.108  733.173   24.369  468.179   7.4400  460.042   7.6536 8.136841 10.67390 
1 1 1   -6   52    3 f  245.698   6.1617  209.059   10.478  222.146   14.730  195.652   14.908  253.191   8.4055  237.587   9.0663 15.60381 12.36328 
1 1 1   -6   52    4 o  364.425   5.4069  459.866   13.637  452.542   18.805  467.990   19.806  361.408   7.5180  367.509   7.7867 -6.101105 10.82374 
1 1 1   -6   52    5 o  155.264   8.5653   83.819   9.1687   76.644   12.186   93.181   13.919  148.094   11.992  163.336   12.406 -15.24127 17.25406 
1 1 1   -6   52    6 o  122.088   12.143   52.284   10.125   58.813   11.604   31.468   20.720  129.420   13.137   94.243   28.964 35.17734 31.80364 
1 1 1   -6   52    7 f  126.691   9.9068   56.041   8.6175   61.785   11.614   49.004   12.855  132.694   12.805  117.459   16.248 15.23466 20.68677 
1 1 1   -6   52    8 o  234.115   6.3612  189.928   10.307  176.161   13.827  207.146   15.463  225.327   8.8664  244.320   9.1445 -18.99335 12.73709 
1 1 1   -6   52    9 o  221.032   7.3755  169.419   11.283  169.357   12.976  169.610   22.844  220.917   8.4868  219.923   15.100 0.9946136 17.32121 
1 1 1   -6   52   10 o   39.472   16.528   0.9542   7.5810  -3.0769   9.3862   8.5180   12.857   39.296   17.408   58.887   22.554 -19.59048 28.49079 
1 1 1   -6   52   11 o   87.236   13.128   27.146   7.6806   40.400   9.5943   3.4949   12.816  106.764   13.270   52.964   21.769 53.79985 25.49506 
1 1 1   -6   52   12 o   84.649   13.092   25.624   7.4224   24.993   9.3756   26.683   12.149   82.816   16.929   85.048   20.810 -2.232101 26.82572 
1 1 1   -6   52   13 o   60.445   16.693   13.291   7.2141   17.588   9.2700   6.6935   11.488   69.274   18.837   54.224   21.169 15.05076 28.33688 
1 1 1   -6   52   14 o  111.976   13.651   44.702   10.360   40.317   18.437   46.725   12.525  103.076   25.882  113.817   16.371 -10.74121 30.62451 
1 1 1   -6   54    1 o   53.537   18.404   9.0916   8.2444   16.606   11.189   0.1659   12.194   69.004   21.297   48.736   20.712 20.26790 29.70746 
1 1 1   -6   54    2 o  604.669   7.9883  1267.11   33.431  1279.02   47.200  1255.12   47.358  607.073   11.234  601.351   11.379 5.721680 15.98964 
1 1 1   -6   54    3 f   73.272   16.441   19.435   8.1327   23.169   11.081   15.076   11.973   79.895   20.067   67.171   22.174 12.72396 29.90578 
1 1 1   -6   54    4 o   69.629   17.306   17.571   8.3037   13.282   11.357   22.497   12.172   63.849   21.605   78.915   21.638 -15.06608 30.57745 
1 1 1   -6   54    5 o   50.284   19.215   6.0688   9.3189   16.170   10.995 -19.6878   17.558   68.082   21.128   45.338   21.399 22.74426 30.07204 
1 1 1   -6   54    6 o  114.568   13.271   46.272   10.328   40.156   16.729   50.038   13.129  104.803   23.628  118.656   16.427 -13.85267 28.77761 
1 1 1   -6   54    7 o   97.004   12.732   33.298   8.3417   36.243   10.900   29.134   12.960  100.651   16.196   89.304   21.272 11.34676 26.73550 
1 1 1   -6   54    8 o  242.958   6.2311  204.582   10.478  211.126   14.298  196.991   15.399  246.663   8.3754  238.184   9.3411 8.479416 12.54603 
1 1 1   -6   54    9 o  249.589   6.2642  215.951   10.821  211.081   14.326  222.421   16.512  246.588   8.3944  253.022   9.4288 -6.434113 12.62412 
1 1 1   -6   54   10 o  276.318   6.5710  264.801   12.566  258.098   18.385  270.680   17.216  272.438   9.7504  279.110   8.9120 -6.672394 13.20964 
1 1 1   -6   54   11 o  133.446   8.8984   62.184   8.1714   67.225   10.231   53.304   13.580  138.495   10.758  122.082   16.495 16.41344 19.69256 
1 1 1   -6   54   12 o  150.500   8.0066   78.948   8.3099   77.586   10.486   81.247   13.624  148.853   10.241  151.789   13.097 -2.936417 16.62559 
1 1 1   -6   54   13 o  132.788   9.4283   61.760   8.6086   64.585   11.925   58.685   12.440  135.114   12.909  128.427   14.235 6.686905 19.21691 
1 1 1   -6   54   14 o   94.644   15.309   32.462   9.6856   6.0780   18.646   42.213   11.335   63.359   26.173  108.124   15.598 -44.76529 30.46802 
1 1 1   -6   56    1 o  429.355   6.1586  638.597   18.301  670.244   32.242  623.555   22.229  439.423   10.602  424.157   7.5721 15.26563 13.02803 
1 1 1   -6   56    2 o  404.125   5.3078  565.613   14.846  584.412   20.931  546.582   21.060  410.637   7.3647  397.100   7.6627 13.53748 10.62811 
1 1 1   -6   56    3 o  109.294   13.083   42.128   9.6995   38.978   11.529   49.756   17.942  104.474   16.492  117.061   22.966 -12.58713 28.27379 
1 1 1   -6   56    4 o  183.445   8.9225  116.743   11.328  111.415   18.446  119.969   14.354  178.178   15.100  185.494   11.234 -7.315872 18.82051 
1 1 1   -6   56    5 o  210.869   6.8396  154.117   9.9820  144.219   13.397  166.468   14.966  203.838   9.4964  218.971   9.8751 -15.13261 13.70034 
1 1 1   -6   56    6 o  122.035   10.081   52.078   8.4381   48.076   11.301   57.119   12.685  116.577   14.307  127.149   14.684 -10.57208 20.50170 
1 1 1   -6   56    7 o  189.857   10.627  125.695   13.908   0.0000   0.0000  125.695   13.908  ?   ?   189.857   10.627 0.000000 10.62671 
1 1 1   -6   56    8 o  257.809   6.1329  230.400   10.943  248.541   15.220  210.984   15.746  267.585   8.2180  246.441   9.2315 21.14365 12.35946 
1 1 1   -6   56    9 o  217.032   6.6802  163.376   10.034  161.819   13.324  165.416   15.252  215.802   8.9208  218.062   10.106 -2.259781 13.48001 
1 1 1   -6   56   10 f   95.792   16.583   33.145   10.596   33.145   10.596   0.0000   0.0000   95.792   16.583  ?   ?  0.000000 16.58294 
1 1 1   -6   56   11 o   36.232   15.935  -1.9487   7.7301  -4.5777   9.8110   2.3550   12.553   38.765   17.441   51.122   21.325 -12.35652 27.54871 
1 1 1   -6   56   12 o   34.587   15.303  -2.2083   7.2314   2.1066   9.2372  -9.0388   11.622   44.406   18.389   39.292   18.166 5.114819 25.84862 
1 1 1   -6   56   13 o  145.520   8.2357   73.977   8.2607   74.059   10.827   73.863   12.778  145.100   10.860  144.424   12.920 0.6753235 16.87815 
1 1 1   -6   58    1 o  378.306   6.1603  495.874   16.129  516.585   27.995  485.582   19.734  385.673   10.488  374.237   7.6189 11.43616 12.96303 
1 1 1   -6   58    2 o  227.084   6.4927  178.703   10.204  186.665   14.223  170.256   14.649  231.947   8.8596  221.471   9.5571 10.47659 13.03189 
1 1 1   -6   58    3 o  237.666   6.3434  195.743   10.434  194.746   14.239  196.900   15.335  236.915   8.6836  238.175   9.3027 -1.260437 12.72573 
1 1 1   -6   58    5 o  247.845   6.1340  212.888   10.522  210.680   14.371  215.440   15.448  246.395   8.4271  249.117   8.9599 -2.722137 12.30019 
1 1 1   -6   58    6 o  250.434   6.1358  217.387   10.635  217.272   14.610  217.517   15.511  250.188   8.4373  250.281   8.9544 -0.9298706E-01 12.30317 
1 1 1   -6   58    7 o  200.251   6.9330  139.086   9.6089  143.438   13.147  134.095   14.079  203.172   9.3495  196.075   10.412 7.096756 13.99342 
1 1 1   -6   58    8 o   47.502   18.296   5.3153   8.4917   1.2294   11.485   10.243   12.612   48.126   20.257   60.618   22.529 -12.49224 30.29709 
1 1 1   -6   58    9 o  327.237   5.5903  371.256   12.661  397.161   17.732  344.309   18.085  338.202   7.5753  314.789   8.3008 23.41278 11.23780 
1 1 1   -6   58   10 o   41.085   17.161   1.2813   8.1439  -3.7546   10.501   8.8800   12.900   41.082   18.295   59.062   22.598 -17.97942 29.07538 
1 1 1   -6   58   11 o  160.654   9.0012   90.146   9.9681  100.811   11.745   62.683   18.848  169.734   10.043  130.734   21.584 39.00061 23.80587 
1 1 1   -6   58   12 o  200.413   6.7048  139.559   9.3002  139.453   12.192  139.706   14.383  200.044   8.8059  199.679   10.443 0.3648529 13.66040 
1 1 1   -6   60    1 o  441.374   5.3622  674.906   16.380  687.381   23.234  662.578   23.098  445.192   7.5404  437.074   7.6354 8.118073 10.73117 
1 1 1   -6   60    2 o  118.322   10.863   49.079   8.7968   52.239   12.291   45.760   12.595  121.439   14.939  113.226   16.562 8.213470 22.30422 
1 1 1   -6   60    4 o   96.486   13.153   33.043   8.5549   35.137   11.462   30.411   12.854   98.714   17.414   91.128   20.834 7.586174 27.15280 
1 1 1   -6   60    5 o  159.697   8.0908   88.748   8.9135   83.744   11.889   95.171   13.469  154.719   11.178  164.879   11.883 -10.15939 16.31422 
1 1 1   -6   60    6 o  177.080   7.5924  108.827   9.3052  117.224   12.780   99.354   13.575  183.305   10.113  168.464   11.716 14.84132 15.47657 
1 1 1   -6   60    7 o  127.871   9.9224   57.226   8.7127   65.924   11.464   45.330   13.406  136.931   12.225  112.158   17.870 24.77273 21.65138 
1 1 1   -6   60    8 o  304.712   6.7943  322.210   14.329  303.756   24.236  332.127   17.767  295.014   11.870  309.153   8.3034 -14.13867 14.48565 
1 1 1   -6   60    9 o  146.065   9.1330   74.533   9.1865   68.630   12.295   81.993   13.823  139.472   12.882  152.474   13.229 -13.00201 18.46529 
1 1 1   -6   60   10 o   56.789   18.384   11.159   8.2466   3.8534   10.734   21.681   12.883   49.413   20.071   76.905   22.665 -27.49148 30.27424 
1 1 1   -6   60   11 o   37.583   16.956  -4.5388   9.3506   2.2732   11.300 -19.3317   16.653   48.526   20.237   43.222   20.530 5.304306 28.82766 
1 1 1   -6   62    1 o  249.761   6.1842  216.249   10.690  207.845   14.758  225.528   15.507  244.649   8.7157  254.836   8.7918 -10.18689 12.37978 
1 1 1   -6   62    2 o   66.372   19.831   15.716   9.8097   9.1756   15.981   19.670   12.427   63.901   24.962   74.160   22.357 -10.25837 33.51015 
1 1 1   -6   62    3 o  267.903   6.0423  248.810   11.204  261.216   15.524  235.327   16.184  274.299   8.1774  260.265   8.9847 14.03415 12.14887 
1 1 1   -6   62    4 o   74.320   16.229   20.105   8.1142   22.572   10.985   17.144   12.037   78.483   20.127   69.956   22.165 8.527992 29.93968 
1 1 1   -6   62    5 o   64.141   20.786   14.178   10.540  -0.5215   13.197   40.068   17.515   49.650   21.334  103.902   24.716 -54.25151 32.64997 
1 1 1   -6   62    6 o   76.274   16.316   21.201   8.3527   18.527   11.426   24.270   12.241   71.715   21.397   81.212   21.457 -9.497177 30.30203 
1 1 1   -6   62    7 o  163.572   8.4387   93.252   9.5209   91.627   12.866   95.219   14.155  161.630   11.578  164.601   12.519 -2.970810 17.05222 
1 1 1   -6   62    8 o   50.665   19.254   6.5854   9.3241   12.430   10.939  -8.9463   17.832   61.529   21.196   51.370   23.274 10.15925 31.47949 
1 1 1   -6   62    9 o  102.783   14.982   37.933   10.345   54.049   18.961   31.104   12.344  120.527   23.574   91.707   20.010 28.82065 30.92160 
1 1 1   -6   62   10 o  124.773   10.178   54.726   8.7129   50.724   11.203   60.852   13.861  119.295   13.825  130.304   15.684 -11.00850 20.90739 
1 1 1   -6   64    1 o  217.476   6.6575  164.059   10.021  155.007   13.524  175.081   14.922  211.157   9.2537  224.373   9.6090 -13.21626 13.34034 
1 1 1   -6   64    2 o  154.045   11.608   83.182   12.285   83.182   12.285   0.0000   0.0000  154.045   11.608  ?   ?  0.000000 11.60778 
1 1 1   -6   64    3 o  238.684   7.3983  197.758   12.222  205.707   20.800  193.566   15.104  242.441   12.438  235.936   9.2496 6.505844 15.50001 
1 1 1   -6   64    4 o  209.350   7.7702  152.210   11.259  171.951   18.133  139.826   14.362  221.680   11.862  200.105   10.406 21.57445 15.77921 
1 1 1   -6   64    5 o   59.681   18.192   12.650   8.1948   19.749   10.969   3.6820   12.329   73.526   20.685   52.190   21.389 21.33515 29.75510 
1 1 1   -6   64    6 o  135.262   11.147   64.265   10.342   59.183   12.117   77.902   19.849  129.253   13.756  146.822   20.058 -17.56956 24.32190 
1 1 1   -6   64    7 o  216.630   6.8844  162.961   10.322  176.159   14.346  148.797   14.862  224.923   9.2157  206.279   10.444 18.64398 13.92870 
1 1 1   -6   64    8 o  139.639   9.2053   68.230   8.8466   77.382   11.914   56.982   13.208  148.268   11.705  126.221   15.441 22.04681 19.37639 
1 1 1   -6   64    9 o   78.522   19.833   22.943   10.782   22.943   10.782   0.0000   0.0000   78.522   19.833  ?   ?  0.000000 19.83326 
1 1 1   -6   66    1 o  229.712   7.5174  183.252   11.952  185.822   14.308  177.317   21.741  231.148   8.9433  224.552   14.060 6.596176 16.66328 
1 1 1   -6   66    2 o   24.921   12.356 -19.0399   8.0643 -17.2893   11.027 -21.0526   11.824   33.001   15.942   32.940   16.051 0.6078339E-01 22.62241 
1 1 1   -6   66    3 o  239.892   6.3748  199.682   10.584  215.124   15.110  184.803   14.831  248.699   8.7781  230.436   9.2993 18.26361 12.78799 
1 1 1   -6   66    4 o   85.020   15.319   26.160   8.6828   23.641   12.055   28.875   12.516   80.008   21.367   88.337   20.814 -8.328194 29.82902 
1 1 1   -6   66    5 o  153.377   8.5171   82.086   9.0056   80.639   12.312   83.751   13.206  151.432   11.842  154.209   12.481 -2.777512 17.20450 
1 1 1   -6   66    6 o  240.213   6.3346  200.311   10.532  203.522   14.516  196.743   15.304  241.798   8.6737  237.632   9.3049 4.166550 12.72060 
1 1 1   -6   66    8 o   88.082   14.496   28.068   8.5294   25.173   11.434   31.698   12.807   82.104   20.249   92.142   20.599 -10.03811 28.88491 
1 1 1   -6   68    1 o  257.851   7.3212  230.984   13.066  237.572   15.817  216.829   23.184  261.285   8.7462  248.302   13.542 12.98285 16.12064 
1 1 1   -6   68    2 o  193.349   7.3729  129.893   9.8664  132.121   13.740  127.521   14.177  194.372   10.250  190.843   10.777 3.528549 14.87292 
1 1 1   -6   68    3 o  232.094   7.5607  187.234   12.145  206.732   20.379  176.494   15.124  243.046   12.115  225.020   9.7114 18.02679 15.52691 
1 1 1   -6   68    4 o   81.162   16.108   24.049   8.7288   28.020   12.080   19.710   12.627   86.861   20.436   73.707   22.603 13.15417 30.47140 
1 1 1   -6   68    5 o   54.428   18.411   9.9064   8.2469   28.755   11.291 -11.6439   12.074   88.186   19.056   38.472   18.029 49.71434 26.23303 
1 1 1   -6   70    1 o  145.712   9.2482   74.314   9.2784   72.106   12.778   76.778   13.495  142.714   13.082  147.225   13.390 -4.511200 18.71979 
1 1 1   -6   70    2 f   90.555   16.313   29.877   9.8483   33.234   16.690   28.084   12.198   93.738   25.187   86.795   20.613 6.942711 32.54656 
1 1 1   -6   70    3 o   48.001   18.167   6.0853   8.2793   6.9656   11.427   5.1126   12.012   54.222   21.128   52.904   21.322 1.317993 30.01698 
1 1 1   -5    1    1 o  2161.07   14.461 16165.99  216.292 16036.89  303.136 16299.88  308.707  2152.14   20.351  2169.70   20.558 -17.56299 28.92723 
1 1 1   -5    1    2 o  1664.37   11.304  9587.80  130.214  9673.49  185.939  9505.33  182.411  1671.64   16.071  1657.05   15.905 14.58752 22.61107 
1 1 1   -5    1    3 o  1625.05   15.650  9141.81  176.018  9239.02  251.706  9048.78  246.237  1633.38   22.265  1616.49   22.009 16.89111 31.30738 
1 1 1   -5    1    4 o  3641.27   24.073 45924.60  606.692 45687.80  1205.81 46004.86  702.023  3627.01   48.035  3643.90   27.836 -16.89404 55.51724 
1 1 1   -5    1    5 f  1667.77   11.363  9627.72  131.160  9699.03  186.860  9558.46  184.147  1673.72   16.131  1661.56   16.013 12.16809 22.72925 
1 1 1   -5    1    6 o  1789.11   14.013 11082.95  173.516 11047.15  211.756 11156.10  302.712  1785.98   17.131  1794.02   24.380 -8.041626 29.79653 
1 1 1   -5    1    7 f  1105.11   7.9082  4227.69   60.487  4249.01   86.008  4206.82   85.081  1107.71   11.219  1102.20   11.153 5.508301 15.81925 
1 1 1   -5    1    8 o  487.702   5.4511  823.289   18.400  808.781   31.304  830.948   22.743  483.280   9.3588  489.937   6.7071 -6.656769 11.51407 
1 1 1   -5    1    9 o  1222.75   8.6446  5176.10   73.157  5186.54  103.632  5165.72  103.289  1223.73   12.236  1221.27   12.220 2.457397 17.29272 
1 1 1   -5    1   10 o   58.422   15.680   12.226   6.4725   8.4626   8.1792   18.532   10.587   52.501   18.315   72.169   20.328 -19.66810 27.36129 
1 1 1   -5    1   11 o  1422.70   9.8903  7006.91   97.386  7034.53  138.288  6979.74  137.169  1425.24   14.019  1419.68   13.960 5.557007 19.78431 
1 1 1   -5    1   12 o  1471.08   10.203  7492.10  103.884  7543.62  147.990  7442.04  145.861  1475.81   14.489  1465.85   14.377 9.959351 20.41138 
1 1 1   -5    1   13 o  279.962   6.0995  271.290   11.819  268.656   14.336  276.878   20.881  278.585   7.4351  282.770   10.670 -4.184631 13.00468 
1 1 1   -5    1   14 o  133.453   8.9105   61.943   8.1828   62.276   11.627   61.617   11.518  133.461   12.743  132.753   12.690 0.7081299 17.98388 
1 1 1   -5    1   15 o  111.093   10.668   43.154   8.1017   57.158   11.604   29.834   11.317  127.706   13.324   91.037   18.590 36.66896 22.87167 
1 1 1   -5    1   16 o  522.639   6.0551  945.867   21.903  943.643   26.897  950.244   37.736  521.939   7.4457  523.519   10.415 -1.579590 12.80259 
1 1 1   -5    1   17 o   96.872   11.548   33.045   7.5899   21.801   10.898   43.636   10.577   77.531   20.131  111.135   14.065 -33.60474 24.55818 
1 1 1   -5    1   18 o  173.264   7.0947  104.077   8.5078  111.836   11.986   96.198   12.078  179.204   9.6998  166.061   10.564 13.14360 14.34173 
1 1 1   -5    1   19 o   62.570   18.818   13.918   8.8117   5.2915   10.671   32.410   15.623   51.367   20.296   93.705   23.988 -42.33814 31.42204 
1 1 1   -5    1   20 o  141.899   12.252   70.864   11.915   70.864   11.915   0.0000   0.0000  141.899   12.252  ?   ?  0.000000 12.25245 
1 1 1   -5    1   21 f  139.113   8.7905   67.672   8.4201   87.076   12.085   49.365   11.738  157.413   11.165  117.487   14.762 39.92601 18.50833 
1 1 1   -5    1   22 o   35.054   16.062  -5.7487   8.8058  -9.3216   10.786   1.3912   15.248   36.992   17.238   54.088   23.078 -17.09620 28.80511 
1 1 1   -5    3    1 o  1797.06   12.141 11177.75  151.012 10994.37  209.653 11375.49  217.700  1782.09   16.998  1812.70   17.352 -30.61084 24.29048 
1 1 1   -5    3    2 o  786.183   6.8882  2139.06   37.481  2143.42   64.872  2136.87   45.921  786.933   11.911  785.769   8.4438 1.164551 14.60022 
1 1 1   -5    3    3 f  1467.13   11.640  7450.20  118.197  7658.54  210.408  7354.14  142.870  1487.20   20.442  1457.57   14.162 29.62830 24.86824 
1 1 1   -5    3    4 o  1527.40   14.821  8076.10  156.677   0.0000   0.0000  8076.10  156.677  ?   ?   1527.40   14.821 0.000000 14.82093 
1 1 1   -5    3    5 o  1515.08   10.399  7945.25  109.048  7999.64  155.306  7892.36  153.152  1520.09   14.762  1509.87   14.656 10.22241 20.80144 
1 1 1   -5    3    6 o  1332.68   9.2793  6147.62   85.589  6176.79   99.316  6063.42  168.726  1335.79   10.743  1323.04   18.426 12.74072 21.32884 
1 1 1   -5    3    7 o  754.722   6.8399  1971.66   35.728  2002.59   44.304  1914.15   60.422  760.567   8.4164  743.445   11.743 17.12195 14.44735 
1 1 1   -5    3    8 o  738.003   6.7603  1885.44   34.530  1838.93   41.431  1991.22   62.485  728.785   8.2139  758.150   11.908 -29.36456 14.46621 
1 1 1   -5    3    9 o  395.825   5.3074  542.276   14.540  554.404   18.070  520.000   24.489  400.211   6.5235  387.551   9.1298 12.66019 11.22096 
1 1 1   -5    3   10 o  486.684   4.8320  819.753   16.276  829.414   23.170  810.342   22.868  489.519   6.8388  483.858   6.8287 5.660736 9.664416 
1 1 1   -5    3   11 o  1012.05   8.5841  3545.39   60.127  3515.61  103.291  3560.65   73.948  1007.52   14.813  1014.15   10.535 -6.633667 18.17707 
1 1 1   -5    3   12 o  606.814   6.2173  1274.46   26.111  1297.07   45.877  1263.63   31.757  612.073   10.830  604.205   7.5941 7.867615 13.22703 
1 1 1   -5    3   13 o  657.289   5.6634  1495.33   25.764  1534.74   37.242  1459.16   35.680  665.831   8.0814  649.234   7.9404 16.59680 11.32957 
1 1 1   -5    3   14 o  444.465   5.1042  683.767   15.701  678.049   22.104  689.591   22.308  442.560   7.2164  446.310   7.2218 -3.750977 10.20937 
1 1 1   -5    3   15 o  630.474   5.6221  1376.04   24.532  1368.76   34.617  1383.39   34.772  628.695   7.9556  632.047   7.9488 -3.352234 11.24608 
1 1 1   -5    3   16 o  283.107   5.4843  277.510   10.746  285.553   15.240  269.557   15.154  287.107   7.6696  278.943   7.8496 8.164459 10.97443 
1 1 1   -5    3   17 o  204.607   7.2984  145.076   10.335  137.366   18.116  148.797   12.584  198.338   13.274  207.150   8.7774 -8.811508 15.91363 
1 1 1   -5    3   18 o   87.400   14.810   27.367   8.6389   22.429   15.081   29.779   10.539   79.716   24.745   90.784   17.407 -11.06841 30.25434 
1 1 1   -5    3   19 o  160.040   8.7823   89.235   9.6906   69.659   16.440   99.659   11.996  139.824   17.362  168.951   10.308 -29.12764 20.19131 
1 1 1   -5    3   20 o   86.334   13.690   26.726   7.9074   26.680   11.346   26.769   11.026   85.104   19.659   85.321   19.143 -0.2169189 27.43933 
1 1 1   -5    3   21 o  144.517   11.940   73.630   11.835   82.585   17.163   65.512   16.342  151.873   16.599  134.661   17.983 17.21211 24.47287 
1 1 1   -5    3   22 f   64.565   17.633   15.438   8.1020   15.284   11.366   15.596   11.552   65.630   21.601   66.232   21.777 -0.6020432 30.67294 
1 1 1   -5    5    1 o  1240.53   8.6587  5326.03   74.342  5419.44  107.047  5239.00  103.323  1251.30   12.361  1230.29   12.134 21.00269 17.32116 
1 1 1   -5    5    2 o  1905.82   14.820 12573.04  195.486 12648.78  340.694 12535.86  238.688  1910.97   25.759  1902.85   18.124 8.111084 31.49626 
1 1 1   -5    5    3 o  1090.27   7.7611  4113.91   58.564  4121.06   82.931  4106.79   82.714  1091.17   10.981  1089.28   10.971 1.891113 15.52280 
1 1 1   -5    5    4 o  2982.28   22.863 30804.28  471.919 30038.24  560.992 32658.54  872.808  2944.40   27.528  3067.83   41.106 -123.4268 49.47282 
1 1 1   -5    5    5 o  1579.35   12.473  8634.58  136.343  8560.98  233.703  8672.56  167.873  1572.12   21.478  1582.70   15.325 -10.57239 26.38521 
1 1 1   -5    5    6 o  1072.85   8.9056  3984.15   66.127  4004.31   81.351  3944.88  113.531  1075.50   10.929  1067.29   15.369 8.205444 18.85886 
1 1 1   -5    5    7 o  473.871   5.3578  777.214   17.572  763.512   21.252  806.829   31.243  469.656   6.5380  482.731   9.3513 -13.07538 11.41015 
1 1 1   -5    5    8 o  113.501   7.9557   44.821   6.2101   47.704   7.6121   39.083   10.739  116.987   9.4829  105.100   15.205 11.88680 17.91950 
1 1 1   -5    5    9 o  168.400   6.8492   98.161   7.9829  101.638   9.6134   90.439   14.327  171.347   8.1063  161.068   12.962 10.27916 15.28794 
1 1 1   -5    5   10 o  1660.75   11.359  9549.63  130.567  9512.17  183.947  9587.66  185.360  1657.05   16.039  1663.61   16.099 -6.555054 22.72476 
1 1 1   -5    5   11 o  445.355   4.8259  686.431   14.875  692.099   21.290  681.026   20.792  447.171   6.8790  443.580   6.7724 3.590363 9.653291 
1 1 1   -5    5   12 o  937.500   7.0427  3042.15   45.697  3109.59   65.990  2980.01   63.342  947.732   10.060  927.783   9.8644 19.94983 14.08966 
1 1 1   -5    5   13 o  268.173   5.3497  248.913   9.9293  263.816   14.358  235.253   13.746  276.062   7.5148  260.689   7.6188 15.37354 10.70128 
1 1 1   -5    5   14 o  380.476   5.9473  501.095   15.661  511.189   19.153  480.732   27.205  384.265   7.2017  372.557   10.550 11.70795 12.77408 
1 1 1   -5    5   15 o  557.296   6.1594  1075.23   23.758  1069.19   29.097  1087.32   41.150  555.668   7.5658  560.186   10.614 -4.518616 13.03420 
1 1 1   -5    5   16 o  400.271   5.0849  554.700   14.087  558.542   20.044  550.951   19.802  401.560   7.2121  398.824   7.1737 2.735931 10.17232 
1 1 1   -5    5   17 o  214.834   6.1953  159.881   9.2118  161.595   13.302  158.302   12.769  215.865   8.9036  213.668   8.6346 2.197174 12.40284 
1 1 1   -5    5   18 o  134.922   9.8544   63.555   9.1384   79.854   16.667   56.549   10.928  150.317   16.280  126.844   12.615 23.47359 20.59539 
1 1 1   -5    5   19 o  359.648   6.0896  448.438   15.158  444.207   18.191  458.049   27.418  357.798   7.3458  362.744   10.921 -4.945862 13.16171 
1 1 1   -5    5   20 o   83.928   13.987   25.326   7.8388   25.408   10.895   25.238   11.287   83.068   19.316   82.718   19.947 0.3505478 27.76637 
1 1 1   -5    5   21 o   55.556   19.053   10.191   8.8343  -0.4166   11.240   27.337   14.289   45.643   19.651   85.476   23.448 -39.83297 30.59383 
1 1 1   -5    7    1 o  560.438   5.5153  1086.98   21.393  992.195   34.502  1146.18   27.268  535.426   9.3103  575.492   6.8460 -40.06659 11.55637 
1 1 1   -5    7    2 f  1639.60   11.152  9304.67  126.547  9239.72  177.586  9371.68  180.376  1633.73   15.705  1645.35   15.840 -11.62000 22.30590 
1 1 1   -5    7    3 o  1376.85   9.5162  6561.16   90.684  6614.54  129.283  6509.46  127.235  1382.35   13.513  1371.32   13.406 11.02161 19.03439 
1 1 1   -5    7    4 o  1208.35   9.8122  5053.63   82.061  5058.51  100.537  5043.90  142.038  1208.88   12.016  1206.99   17.003 1.895142 20.82042 
1 1 1   -5    7    6 o  633.740   5.3180  1389.99   23.326  1393.12   32.912  1386.83   33.063  634.423   7.4955  632.987   7.5470 1.436096 10.63669 
1 1 1   -5    7    7 o  1077.38   7.7502  4018.40   57.791  4018.36   66.655  4018.54  115.977  1077.31   8.9396  1076.77   15.562 0.5366211 17.94715 
1 1 1   -5    7    8 o  895.239   9.4871  2775.27   58.782  2775.27   58.782   0.0000   0.0000  895.239   9.4871  ?   ?  0.000000 9.487057 
1 1 1   -5    7    9 o  602.701   6.1086  1257.29   25.481  1257.29   25.481   0.0000   0.0000  602.701   6.1086  ?   ?  0.000000 6.108634 
1 1 1   -5    7   10 o  813.691   7.3243  2291.71   41.248  2317.96   50.893  2241.46   70.417  818.293   8.9862  804.549   12.646 13.74377 15.51354 
1 1 1   -5    7   11 o  975.975   8.3827  3297.13   56.624  3290.16   69.218  3311.22   98.451  974.881   10.259  977.807   14.548 -2.925171 17.80090 
1 1 1   -5    7   12 o  255.276   5.9548  225.546   10.521  236.829   19.253  220.741   12.563  261.540   10.636  252.534   7.1876 9.006104 12.83681 
1 1 1   -5    7   13 o  1243.90   8.8409  5356.96   76.113  5492.85  110.468  5234.15  105.020  1259.28   12.675  1229.29   12.344 29.98291 17.69210 
1 1 1   -5    7   14 o  206.036   7.1918  146.963   10.255  142.523   12.717  155.219   17.343  202.876   9.0571  211.335   11.905 -8.459213 14.95890 
1 1 1   -5    7   15 o   63.984   19.057   14.389   9.0696   6.0856   10.758   34.795   16.864   52.944   20.536   98.044   24.827 -45.10062 32.21992 
1 1 1   -5    7   16 o  379.321   5.0861  498.161   13.353  520.247   19.292  477.853   18.500  387.546   7.1926  371.419   7.1966 16.12622 10.17469 
1 1 1   -5    7   17 o  507.067   5.2619  890.441   18.466  890.305   26.370  890.571   25.868  506.829   7.5176  506.920   7.3729 -0.9063721E-01 10.52969 
1 1 1   -5    7   18 o  338.257   6.0282  396.492   14.113  428.878   25.587  382.331   16.919  351.310   10.523  332.050   7.3621 19.25952 12.84279 
1 1 1   -5    7   19 o  125.179   9.0711   54.733   7.8057   50.993   10.766   58.879   11.334  120.167   13.160  129.282   12.836 -9.114922 18.38343 
1 1 1   -5    7   20 o  149.589   9.2714   78.174   9.5516   74.312   12.199   84.293   15.356  145.316   12.243  154.331   14.548 -9.015427 19.01378 
1 1 1   -5    7   21 o  128.540   11.389   58.261   10.027   59.605   12.041   55.220   18.113  129.514   13.637  122.029   22.267 7.484512 26.11116 
1 1 1   -5    9    1 o  1512.06   12.014  7913.53  125.728  7480.78  144.294  9278.05  256.223  1470.07   14.182  1636.81   22.617 -166.7386 26.69592 
1 1 1   -5    9    3 o  954.020   6.9658  3149.89   45.994  3041.58   62.850  3274.78   67.489  937.441   9.6869  972.710   10.025 -35.26935 13.94025 
1 1 1   -5    9    4 o  409.409   6.0671  580.083   17.192  484.927   21.557  746.341   28.495  374.315   8.3210  464.370   8.8659 -90.05502 12.15912 
1 1 1   -5    9    5 o  1242.43   10.070  5343.10   86.595  5341.50  105.904  5346.34  150.419  1242.16   12.319  1242.49   17.492 -0.3315430 21.39405 
1 1 1   -5    9    6 o  1128.36   8.0487  4407.15   62.857  4327.99   87.232  4492.64   90.653  1118.04   11.273  1139.09   11.499 -21.05603 16.10276 
1 1 1   -5    9    7 o  474.980   4.7350  780.846   15.566  765.516   21.632  797.309   22.416  470.259   6.6462  479.923   6.7486 -9.663513 9.471860 
1 1 1   -5    9    8 o  211.320   4.9375  154.561   7.2214  156.443   8.3786  149.122   14.241  212.597   5.6943  207.516   9.9152 5.080673 11.43396 
1 1 1   -5    9    9 o  617.797   6.1760  1321.05   26.408  1318.52   32.119  1326.34   46.393  617.177   7.5192  618.912   10.830 -1.735962 13.18476 
1 1 1   -5    9   10 o  535.610   10.276  993.171   38.093   0.0000   0.0000  993.171   38.093  ?   ?   535.610   10.276 0.000000 10.27591 
1 1 1   -5    9   11 o  885.812   7.8027  2715.98   47.837  2780.82   59.730  2600.00   79.886  896.271   9.6289  866.506   13.320 29.76459 16.43626 
1 1 1   -5    9   12 o  236.435   5.7482  193.479   9.4064  201.343   11.032  172.537   18.004  241.186   6.6087  222.913   11.711 18.27295 13.44668 
1 1 1   -5    9   13 o  852.478   7.6712  2515.75   45.261  2537.94   55.819  2473.17   77.335  856.151   9.4201  844.937   13.224 11.21429 16.23637 
1 1 1   -5    9   14 o  341.618   5.9955  403.976   14.176  396.772   17.012  420.341   25.641  338.535   7.2605  348.360   10.635 -9.824707 12.87681 
1 1 1   -5    9   15 o  410.203   5.0958  582.480   14.467  577.987   20.469  586.964   20.450  408.553   7.2390  411.715   7.1767 -3.162628 10.19354 
1 1 1   -5    9   16 o  471.250   5.9087  769.031   19.272  778.049   33.268  764.477   23.642  473.693   10.147  469.771   7.2716 3.921875 12.48383 
1 1 1   -5    9   17 o  169.215   7.1572   99.232   8.3822   98.122   12.162  100.236   11.569  167.799   10.526  169.672   9.8942 -1.872299 14.44590 
1 1 1   -5    9   18 o  224.282   7.0134  174.404   10.887  175.369   13.141  172.293   19.439  224.806   8.4460  222.085   12.699 2.720154 15.25132 
1 1 1   -5    9   19 o  139.488   9.5396   67.959   9.1544   88.390   16.240   58.442   11.083  158.217   15.010  128.830   12.591 29.38763 19.59141 
1 1 1   -5    9   20 o  235.021   5.9936  191.610   9.7493  192.414   13.757  190.798   13.818  235.231   8.4502  234.231   8.5235 0.9994049 12.00232 
1 1 1   -5    9   21 o  132.033   9.2018   61.069   8.3562   65.720   12.191   56.949   11.476  136.174   13.097  126.630   13.293 9.544373 18.66049 
1 1 1   -5   11    1 o  1237.62   9.9980  5301.31   85.640  5377.48  106.372  5160.98  144.385  1246.43   12.331  1220.95   17.086 25.47522 21.07088 
1 1 1   -5   11    2 o  840.609   7.2878  2445.51   42.400  2450.46   51.918  2435.61   73.471  841.441   8.9150  838.836   12.655 2.605103 15.47981 
1 1 1   -5   11    3 o  474.570   5.1616  779.412   16.953  744.390   28.047  799.577   21.282  463.766   8.7378  480.664   6.3971 -16.89804 10.82927 
1 1 1   -5   11    4 o  2495.72   23.608 21578.78  407.786 20453.66  541.816 23048.78  619.317  2428.61   32.234  2577.66   34.715 -149.0400 47.37233 
1 1 1   -5   11    5 o  734.721   11.671  1868.78   59.346   0.0000   0.0000  1868.78   59.346  ?   ?   734.721   11.671 0.000000 11.67057 
1 1 1   -5   11    6 o  746.653   8.2980  1929.89   42.881  1929.89   42.881   0.0000   0.0000  746.653   8.2980  ?   ?  0.000000 8.297986 
1 1 1   -5   11    7 o  794.139   12.321  2184.88   67.721   0.0000   0.0000  2184.88   67.721  ?   ?   794.139   12.321 0.000000 12.32106 
1 1 1   -5   11    8 o  339.993   5.1309  400.090   12.074  411.035   14.860  378.829   20.710  344.599   6.2307  330.779   9.0463 13.82004 10.98440 
1 1 1   -5   11    9 o  921.604   7.9770  2940.12   50.882  2918.97   61.742  2984.88   89.827  918.218   9.7153  928.308   13.981 -10.09021 17.02518 
1 1 1   -5   11   10 o  377.327   5.4655  492.756   14.273  486.699   17.163  506.341   25.704  374.991   6.6128  382.447   9.7108 -7.456024 11.74855 
1 1 1   -5   11   11 o  1284.77   9.0768  5713.90   80.712  5813.95   94.724  5448.78  154.198  1295.90   10.561  1254.07   17.766 41.83362 20.66779 
1 1 1   -5   11   12 o   70.725   15.437   18.007   7.3442   26.084   8.4486  -6.9707   14.858   85.553   14.804   48.138   21.575 37.41504 26.16567 
1 1 1   -5   11   13 o  959.219   10.293  3186.19   68.334  3186.19   68.334   0.0000   0.0000  959.219   10.293  ?   ?  0.000000 10.29305 
1 1 1   -5   11   14 o  395.300   5.8878  540.915   16.109  549.676   19.558  522.439   28.403  398.462   7.0920  388.364   10.567 10.09863 12.72624 
1 1 1   -5   11   15 o  239.947   6.2885  199.342   10.443  211.477   12.319  168.342   19.690  247.123   7.2025  219.937   12.993 27.18597 14.85540 
1 1 1   -5   11   16 o  375.053   5.9933  487.135   15.557  489.695   18.929  481.805   27.310  375.972   7.2743  372.707   10.587 3.265472 12.84527 
1 1 1   -5   11   17 o  358.313   7.5425  445.032   18.705  429.268   25.961  462.049   26.973  351.620   10.668  364.796   10.683 -13.17676 15.09754 
1 1 1   -5   11   18 f  326.359   5.7112  369.063   12.900  372.827   15.127  359.024   24.702  327.943   6.6646  321.312   11.108 6.630157 12.95372 
1 1 1   -5   11   19 o   89.152   16.694   28.781   9.9221   28.781   9.9221   0.0000   0.0000   89.152   16.694  ?   ?  0.000000 16.69401 
1 1 1   -5   11   20 o  127.232   10.345   56.801   9.0311   58.411   10.410   51.902   18.157  128.771   11.812  118.477   22.972 10.29405 25.83089 
1 1 1   -5   11   21 o   72.563   19.713   19.492   10.157   22.948   12.784   13.576   16.727   78.579   22.410   68.629   25.858 9.950470 34.21812 
1 1 1   -5   13    1 o  1315.59   9.1417  5990.23   83.239  5826.31  114.259  6175.61  121.510  1297.38   12.725  1335.69   13.144 -38.31250 18.29429 
1 1 1   -5   13    2 o  1160.33   9.4682  4659.91   76.037  4666.46   93.148  4646.83  131.640  1161.10   11.591  1158.53   16.417 2.574951 20.09684 
1 1 1   -5   13    3 o  1690.11   13.279  9888.26  155.330  9869.25  189.793  9926.83  270.317  1688.34   16.242  1692.83   23.072 -4.490845 28.21548 
1 1 1   -5   13    4 f  1342.23   10.781  6236.23  100.157  6123.60  120.155  6492.68  181.308  1329.97   13.053  1369.16   19.133 -39.18005 23.16178 
1 1 1   -5   13    5 o  1473.23   11.733  7514.54  119.639  7356.43  143.026  7882.93  218.320  1457.49   14.179  1508.11   20.916 -50.62390 25.26896 
1 1 1   -5   13    6 o  223.956   9.3034  173.658   14.420   0.0000   0.0000  173.658   14.420  ?   ?   223.956   9.3034 0.000000 9.303373 
1 1 1   -5   13    8 o  600.911   5.2885  1249.79   21.995  1253.95   31.037  1245.58   31.174  601.865   7.4509  599.852   7.5088 2.013489 10.57816 
1 1 1   -5   13    9 o  724.114   6.7322  1814.88   33.740  1828.30   41.263  1787.81   58.609  726.751   8.2035  718.547   11.785 8.204529 14.35909 
1 1 1   -5   13   10 o  688.389   5.7301  1640.09   27.301  1635.62   31.340  1654.15   55.595  687.438   6.5869  691.204   11.621 -3.765808 13.35813 
1 1 1   -5   13   11 f  1140.53   8.2140  4502.69   64.839  4540.45   75.365  4395.12  127.202  1145.25   9.5081  1126.40   16.316 18.85596 18.88469 
1 1 1   -5   13   12 o  715.961   5.9601  1774.20   29.534  1790.28   34.272  1727.81   58.213  719.177   6.8854  706.352   11.907 12.82501 13.75487 
1 1 1   -5   13   13 f  734.537   6.0999  1867.59   31.011  1893.99   36.189  1794.63   60.160  739.680   7.0690  719.789   12.076 19.89056 13.99299 
1 1 1   -5   13   14 o  319.479   6.7306  353.353   14.882  353.599   18.700  352.927   24.579  319.553   8.4551  319.174   11.127 0.3786011 13.97462 
1 1 1   -5   13   15 f  870.683   7.9102  2625.68   47.668  2679.35   59.473  2529.27   79.712  879.337   9.7721  853.845   13.489 25.49176 16.65644 
1 1 1   -5   13   16 o  647.476   5.8705  1451.83   26.307  1494.19   31.084  1344.88   49.390  656.767   6.8382  622.523   11.463 34.24353 13.34797 
1 1 1   -5   13   17 o  472.620   5.5282  773.703   18.083  764.062   20.942  801.951   35.849  469.589   6.4437  480.548   10.779 -10.95926 12.55789 
1 1 1   -5   13   18 o  101.342   14.464   36.550   9.8574   36.550   9.8574   0.0000   0.0000  101.342   14.464  ?   ?  0.000000 14.46417 
1 1 1   -5   13   19 o   89.991   13.678   28.934   8.2509   29.618   9.7470   27.205   15.498   90.567   16.142   86.154   24.709 4.412956 29.51402 
1 1 1   -5   13   20 o  307.396   7.1747  328.202   15.264  311.896   19.003  357.854   25.626  299.315   9.1733  320.044   11.569 -20.72955 14.76457 
1 1 1   -5   13   21 o  153.991   8.9563   82.953   9.5043   84.849   11.012   77.415   18.820  155.482   10.291  145.987   19.083 9.495880 21.68083 
1 1 1   -5   15    1 o  2175.15   14.577 16379.08  219.449 16346.02  309.469 16412.52  311.235  2172.55   20.581  2176.96   20.657 -4.408936 29.15957 
1 1 1   -5   15    2 o  504.375   9.1640  880.488   31.990  880.488   31.990   0.0000   0.0000  504.375   9.1640  ?   ?  0.000000 9.163981 
1 1 1   -5   15    3 o  2523.04   19.437 22047.38  339.414 22056.46  415.923 22029.27  587.237  2523.04   23.818  2519.92   33.671 3.122314 41.24348 
1 1 1   -5   15    4 o  917.228   7.8587  2911.93   49.889  2899.01   60.626  2939.02   87.805  915.152   9.5717  921.312   13.770 -6.159973 16.76998 
1 1 1   -5   15    5 o  1223.06   9.9514  5179.03   84.238  5122.27  101.784  5302.44  150.081  1216.21   12.092  1236.94   17.531 -20.73499 21.29643 
1 1 1   -5   15    6 o  1092.90   7.8426  4135.19   59.322  4124.63   83.606  4145.90   84.186  1091.27   11.069  1094.08   11.118 -2.805420 15.68873 
1 1 1   -5   15    7 o  219.613   6.8619  166.957   10.430  166.957   10.430   0.0000   0.0000  219.613   6.8619  ?   ?  0.000000 6.861908 
1 1 1   -5   15    8 o  573.731   5.1754  1139.26   20.551  1126.92   28.829  1152.01   29.303  570.576   7.3003  576.892   7.3390 -6.315369 10.35160 
1 1 1   -5   15    9 o  405.562   5.4386  569.263   15.266  552.255   18.192  609.756   28.069  399.446   6.5802  419.684   9.6635 -20.23782 11.69108 
1 1 1   -5   15   10 o  1078.53   9.0500  4026.58   67.555  4055.38   83.048  3970.24  116.144  1082.30   11.087  1070.64   15.674 11.65771 19.19864 
1 1 1   -5   15   11 o  1594.92   10.976  8807.14  121.165  8895.45  141.236  8560.98  235.809  1602.76   12.732  1571.38   21.682 31.38831 25.14403 
1 1 1   -5   15   13 o  1362.30   9.5894  6426.48   90.416  6486.48  105.334  6258.54  176.242  1368.50   11.121  1343.14   18.959 25.36157 21.97988 
1 1 1   -5   15   14 o  402.037   5.9878  559.537   16.661  575.229   20.531  529.268   28.515  407.602   7.2777  390.871   10.540 16.73151 12.80877 
1 1 1   -5   15   15 o  195.554   7.1821  132.439   9.7207  126.136   11.374  149.512   18.720  190.812   8.6129  207.178   13.123 -16.36584 15.69692 
1 1 1   -5   15   16 o  398.845   6.0445  550.957   16.686  556.120   20.239  540.000   29.482  400.634   7.2991  394.500   10.798 6.133820 13.03328 
1 1 1   -5   15   17 o  118.616   11.030   49.294   8.9511   55.476   10.648   34.400   16.528  125.705   12.400   96.928   24.597 28.77654 27.54560 
1 1 1   -5   15   18 o  389.484   5.4200  525.620   14.611  534.807   17.119  500.976   28.038  392.787   6.2970  379.559   10.673 13.22833 12.39211 
1 1 1   -5   15   19 o  268.383   5.9998  249.769   11.145  253.799   13.093  239.171   21.235  270.440   6.9951  261.879   11.716 8.561371 13.64507 
1 1 1   -5   15   20 o  272.993   7.3302  258.922   13.850  254.978   17.561  265.415   22.528  270.565   9.3776  275.526   11.813 -4.960663 15.08301 
1 1 1   -5   15   21 o  145.400   11.783   74.614   11.755   85.186   14.692   55.805   19.597  154.872   13.853  121.742   24.111 33.13006 27.80765 
1 1 1   -5   17    1 o  1388.01   9.6118  6668.34   92.337  6574.71  128.655  6767.81  132.604  1378.11   13.489  1398.19   13.703 -20.08337 19.22793 
1 1 1   -5   17    2 o  1142.23   8.1120  4515.62   64.130  4354.76   87.346  4703.74   94.456  1121.62   11.252  1165.68   11.708 -44.06250 16.23805 
1 1 1   -5   17    3 o  1415.66   11.310  6937.73  110.819  6829.10  133.328  7180.49  199.312  1404.41   13.717  1439.66   20.003 -35.24963 24.25435 
1 1 1   -5   17    4 o  1258.17   8.8382  5479.79   76.963  5230.31  103.457  5788.94  115.166  1229.03   12.163  1292.95   12.870 -63.92249 17.70747 
1 1 1   -5   17    6 o  554.225   4.9749  1063.16   19.083  1070.70   26.975  1055.61   27.000  556.136   7.0082  552.202   7.0647 3.934082 9.951104 
1 1 1   -5   17    7 o  698.465   5.6886  1688.58   27.500  1733.34   39.623  1646.98   38.197  707.592   8.0907  689.742   8.0013 17.84979 11.37894 
1 1 1   -5   17    8 o  693.717   11.176  1666.34   53.661  1666.34   53.661   0.0000   0.0000  693.717   11.176  ?   ?  0.000000 11.17638 
1 1 1   -5   17    9 o  655.649   5.5665  1487.79   25.260  1496.06   35.635  1479.43   35.811  657.432   7.8316  653.766   7.9144 3.666199 11.13424 
1 1 1   -5   17   10 o  555.706   6.0237  1068.80   23.168  1099.75   28.563  1009.27   39.610  563.678   7.3215  539.935   10.600 23.74280 12.88245 
1 1 1   -5   17   11 o  832.838   7.4731  2400.89   43.076  2400.89   43.076   0.0000   0.0000  832.838   7.4731  ?   ?  0.000000 7.473068 
1 1 1   -5   17   12 o  1121.26   9.4005  4352.85   72.951  4351.50   89.003  4355.61  127.345  1120.95   11.472  1121.04   16.413 -0.9289551E-01 20.02475 
1 1 1   -5   17   13 f  780.648   6.3261  2109.53   34.180  2134.85   39.775  2038.05   66.834  785.279   7.3183  766.971   12.590 18.30908 14.56282 
1 1 1   -5   17   14 o  716.336   6.9541  1776.64   34.477  1826.04   43.050  1688.29   57.573  726.132   8.5661  697.957   11.918 28.17444 14.67726 
1 1 1   -5   17   15 o  394.810   6.3796  539.775   17.432  560.570   22.201  506.341   28.151  402.268   7.9742  382.160   10.643 20.10776 13.29899 
1 1 1   -5   17   16 o  118.539   10.596   49.145   8.6018   48.090   9.8161   52.634   17.855  117.031   12.303  120.768   22.178 -3.736687 25.36238 
1 1 1   -5   17   17 o  480.919   6.2537  801.418   20.815  801.418   20.815   0.0000   0.0000  480.919   6.2537  ?   ?  0.000000 6.253709 
1 1 1   -5   17   18 o  106.835   11.921   40.233   8.6645   39.806   10.236   41.312   16.274  105.826   14.345  106.087   22.840 -0.2606277 26.97122 
1 1 1   -5   17   19 o   91.510   14.141   29.982   8.6673   26.113   10.153   40.376   16.641   84.534   17.911  104.356   23.594 -19.82169 29.62196 
1 1 1   -5   17   20 o   51.469   18.510   8.0312   8.4071   7.1417   9.6741   10.776   16.993   51.959   19.644   66.246   25.779 -14.28762 32.41035 
1 1 1   -5   17   21 o   60.898   18.614   13.378   8.5715   16.569   9.7355   2.3761   18.077   67.179   19.676   59.405   25.231 7.773563 31.99621 
1 1 1   -5   19    1 o  906.454   7.7652  2843.86   48.716  2689.27   79.913  2935.29   61.457  881.341   13.101  920.870   9.6426 -39.52899 16.26686 
1 1 1   -5   19    2 o  508.234   4.7144  893.931   16.583  855.021   22.769  937.888   24.201  497.033   6.6188  520.561   6.7171 -23.52768 9.430197 
1 1 1   -5   19    3 o  1684.95   11.478  9829.89  133.858  9600.01  184.382 10086.07  194.642  1664.71   16.003  1706.28   16.482 -41.56958 22.97285 
1 1 1   -5   19    4 f  367.532   4.2969  467.500   10.930  445.482   15.033  492.195   15.920  358.754   6.0544  377.094   6.1000 -18.34009 8.594490 
1 1 1   -5   19    5 o  740.207   5.8573  1896.54   30.007  1830.26   41.045  1972.63   43.980  727.074   8.1564  754.810   8.4187 -27.73602 11.72184 
1 1 1   -5   19    6 o  566.359   7.1027  1110.40   27.841  1110.40   27.841   0.0000   0.0000  566.359   7.1027  ?   ?  0.000000 7.102655 
1 1 1   -5   19    7 o  877.034   7.6229  2662.64   46.271  2615.12   78.037  2688.40   57.462  868.921   12.976  881.195   9.4217 -12.27429 16.03588 
1 1 1   -5   19    8 o  657.748   7.7871  1497.54   35.450  1497.54   35.450   0.0000   0.0000  657.748   7.7871  ?   ?  0.000000 7.787106 
1 1 1   -5   19    9 o  954.665   10.042  3155.06   66.350  3155.06   66.350   0.0000   0.0000  954.665   10.042  ?   ?  0.000000 10.04190 
1 1 1   -5   19   10 o  890.225   6.7687  2742.97   41.705  2719.75   47.576  2820.00   86.659  886.426   7.7548  902.392   13.875 -15.96625 15.89534 
1 1 1   -5   19   11 o  595.766   6.2268  1228.51   25.676  1233.95   31.194  1217.07   45.212  597.059   7.5487  592.874   11.018 4.184753 13.35606 
1 1 1   -5   19   12 o  1032.95   7.6171  3693.69   54.456  3729.79   63.248  3590.24  107.068  1037.93   8.8044  1017.85   15.198 20.07635 17.56449 
1 1 1   -5   19   13 o  751.272   12.491  1955.61   64.950   0.0000   0.0000  1955.61   64.950  ?   ?   751.272   12.491 0.000000 12.49114 
1 1 1   -5   19   14 o  312.037   6.1479  337.092   13.277  354.979   16.306  301.902   22.871  320.179   7.3584  295.153   11.196 25.02597 13.39773 
1 1 1   -5   19   15 o  452.984   5.9978  710.548   18.804  726.365   22.872  677.561   33.030  457.931   7.2166  442.023   10.797 15.90814 12.98646 
1 1 1   -5   19   16 o  336.197   5.4116  391.441   12.592  387.885   14.417  402.878   25.857  334.626   6.2250  340.671   10.966 -6.044952 12.60989 
1 1 1   -5   19   17 o  167.007   7.6187   96.718   8.8063   94.787   10.279  102.049   17.076  165.017   9.0340  170.467   14.615 -5.449570 17.18151 
1 1 1   -5   19   18 o  101.481   11.779   36.344   8.1195   28.307   9.4155   59.659   16.037   88.609   15.939  129.021   18.488 -40.41249 24.40989 
1 1 1   -5   19   19 o  186.150   7.6194  120.344   9.8166  124.533   11.432  108.585   19.153  189.257   8.7278  175.071   15.983 14.18535 18.21087 
1 1 1   -5   19   20 o  134.886   9.7371   63.761   9.0291   69.082   10.427   47.810   18.052  140.229   10.827  113.080   23.818 27.14912 26.16350 
1 1 1   -5   19   21 o  150.803   8.8142   79.615   9.1596   82.351   10.476   70.732   18.877  153.146   9.9368  138.702   20.261 14.44444 22.56682 
1 1 1   -5   21    1 o  1072.86   8.9098  3984.43   66.159  3873.17  111.474  4044.93   82.201  1057.45   15.231  1080.88   10.988 -23.42920 18.78102 
1 1 1   -5   21    2 o  837.637   6.3621  2428.51   36.884  2426.62   52.034  2430.42   52.290  837.233   8.9798  837.887   9.0168 -0.6546021 12.72555 
1 1 1   -5   21    3 o  814.626   6.2411  2297.00   35.188  2221.99   48.245  2382.26   51.434  801.129   8.7011  829.508   8.9589 -28.37933 12.48884 
1 1 1   -5   21    4 o  334.484   4.9203  387.232   11.391  386.007   14.021  389.610   19.534  333.940   6.0665  335.454   8.4135 -1.514374 10.37249 
1 1 1   -5   21    5 f  1238.79   8.7346  5313.45   74.889  5138.41  102.200  5516.44  110.054  1217.90   12.124  1261.85   12.601 -43.95093 17.48708 
1 1 1   -5   21    6 o  504.628   4.8441  881.349   16.919  847.433   23.298  919.190   24.609  494.791   6.8033  515.311   6.9000 -20.52066 9.689895 
1 1 1   -5   21    7 o  105.557   7.7775   38.779   5.6420   46.192   7.4345   28.711   8.6638  115.126   9.4127   89.921   14.407 25.20503 17.20969 
1 1 1   -5   21    8 o  565.601   5.1316  1107.16   20.088  1089.82   27.948  1125.70   28.893  561.125   7.1964  570.287   7.3203 -9.162109 10.26521 
1 1 1   -5   21    9 o  356.958   4.7238  440.978   11.670  433.583   16.024  449.332   17.031  353.940   6.5414  360.308   6.8293 -6.368256 9.456718 
1 1 1   -5   21   10 o  867.180   7.6769  2602.95   46.075  2664.92   57.585  2492.68   76.815  877.388   9.4829  848.425   13.081 28.96344 16.15698 
1 1 1   -5   21   11 o  975.797   8.4054  3296.26   56.767  3301.87   69.353  3284.88   98.813  976.541   10.261  973.754   14.662 2.786743 17.89592 
1 1 1   -5   21   12 o  438.012   5.8470  664.073   17.725  689.870   21.436  608.293   31.521  446.418   6.9378  419.096   10.867 27.32123 12.89279 
1 1 1   -5   21   13 o  724.523   6.9446  1817.33   34.824  1817.33   34.824   0.0000   0.0000  724.523   6.9446  ?   ?  0.000000 6.944604 
1 1 1   -5   21   14 o  114.836   10.654   46.094   8.3711   51.573   9.5425   27.795   17.438  121.434   11.491   88.689   26.427 32.74538 28.81706 
1 1 1   -5   21   15 o  108.106   10.917   40.950   8.0563   33.318   9.1755   66.634   16.832   96.931   14.090  137.138   18.182 -40.20661 23.00255 
1 1 1   -5   21   16 o   67.148   22.828   14.667   12.679   14.667   12.679   0.0000   0.0000   67.148   22.828  ?   ?  0.000000 22.82770 
1 1 1   -5   21   17 o  117.409   10.143   48.241   8.1616   50.991   9.3727   39.615   16.600  120.567   11.366  103.908   23.617 16.65897 26.21011 
1 1 1   -5   21   18 o  192.164   8.1724  128.212   10.869  126.228   13.576  131.756   18.141  190.204   10.352  193.770   13.613 -3.566620 17.10180 
1 1 1   -5   21   19 o  105.144   12.863   39.223   9.1653   29.825   10.705   65.024   17.737   90.432   17.738  134.089   19.700 -43.65672 26.50883 
1 1 1   -5   21   20 o  134.907   9.5182   63.767   8.8302   67.013   10.245   54.390   17.412  138.075   10.807  121.436   21.504 16.63927 24.06678 
1 1 1   -5   21   21 o  168.159   9.4624   99.148   10.968   99.148   10.968   0.0000   0.0000  168.159   9.4624  ?   ?  0.000000 9.462391 
1 1 1   -5   23    1 o  1185.83   8.4047  4868.25   68.980  4736.07   94.798  5017.00  100.561  1169.40   11.713  1203.55   12.072 -34.15332 16.82051 
1 1 1   -5   23    2 o  283.172   5.0975  277.536   9.9905  263.073   16.874  285.342   12.397  275.648   8.8449  287.114   6.2384 -11.46619 10.82357 
1 1 1   -5   23    3 o  669.698   6.3341  1552.50   29.359  1506.06   35.181  1659.02   53.286  659.561   7.7068  692.085   11.125 -32.52405 13.53325 
1 1 1   -5   23    4 f  1298.54   9.0946  5838.69   81.736  5690.29  112.461  6004.85  119.001  1281.57   12.679  1316.47   13.061 -34.89941 18.20256 
1 1 1   -5   23    5 o  593.432   5.1931  1218.88   21.329  1190.99   29.612  1248.95   30.748  586.557   7.2943  600.656   7.3962 -14.09955 10.38801 
1 1 1   -5   23    6 o  402.023   8.6453  559.512   24.055  559.512   24.055   0.0000   0.0000  402.023   8.6453  ?   ?  0.000000 8.645287 
1 1 1   -5   23    8 o  1098.72   7.9436  4178.50   60.406  4209.21   86.004  4148.60   84.861  1102.62   11.270  1094.66   11.201 7.963257 15.88931 
1 1 1   -5   23    9 o  256.522   5.0925  227.739   9.0413  240.031   12.350  213.542   13.273  263.344   6.7759  248.383   7.7207 14.96152 10.27238 
1 1 1   -5   23   10 o  1043.97   7.6561  3772.56   55.319  3817.36   78.893  3729.22   77.589  1050.02   10.856  1037.83   10.802 12.19153 15.31435 
1 1 1   -5   23   11 o  384.342   4.8732  511.259   12.963  502.901   14.551  543.415   28.540  381.181   5.5154  396.151   10.409 -14.97055 11.78010 
1 1 1   -5   23   12 o  1354.40   13.444  6356.30  126.021  6604.88  183.982  6136.58  172.968  1379.69   19.267  1329.97   18.791 49.72363 26.91318 
1 1 1   -5   23   13 o  304.997   6.1030  322.030   12.883  335.294   15.473  292.049   23.262  311.194   7.1838  290.316   11.577 20.87738 13.62477 
1 1 1   -5   23   14 o  516.802   6.1219  924.776   21.897  956.428   26.996  863.903   37.438  525.504   7.4226  499.209   10.836 26.29486 13.13420 
1 1 1   -5   23   15 o  131.154   10.291   60.030   9.2668   60.030   9.2668   0.0000   0.0000  131.154   10.291  ?   ?  0.000000 10.29138 
1 1 1   -5   23   16 o  320.734   5.2918  356.290   11.747  357.988   13.464  350.878   24.042  321.455   6.0515  317.850   10.929 3.605194 12.49218 
1 1 1   -5   23   17 o  227.741   7.6581  179.908   12.071  192.677   15.556  160.585   19.137  235.531   9.5428  214.309   12.963 21.22131 16.09650 
1 1 1   -5   23   18 o   50.029   17.775   7.6367   7.7307   1.1910   8.9695   26.259   15.245   42.904   17.972   84.803   24.560 -41.89858 30.43389 
1 1 1   -5   23   19 o   67.644   17.574   16.764   8.3019   7.6014   9.3310   51.561   18.185   52.203   19.383  118.085   23.078 -65.88199 30.13726 
1 1 1   -5   23   20 o  125.461   10.688   55.405   9.1921   54.551   10.702   57.805   17.947  124.068   12.640  125.164   21.491 -1.096504 24.93269 
1 1 1   -5   25    1 o  556.312   7.1087  1071.38   27.371   0.0000   0.0000  1071.38   27.371  ?   ?   556.312   7.1087 0.000000 7.108702 
1 1 1   -5   25    2 o  197.605   5.0249  135.153   6.8723  139.502   9.6383  130.656   9.8015  200.743   6.9372  194.270   7.2897 6.472504 10.06301 
1 1 1   -5   25    4 o  388.387   4.5262  522.073   12.167  507.538   16.998  537.343   17.423  382.919   6.4137  394.002   6.3891 -11.08331 9.052936 
1 1 1   -5   25    5 o  922.370   6.8999  2944.84   44.048  2876.52   60.965  3019.47   63.713  911.501   9.6637  933.866   9.8575 -22.36499 13.80429 
1 1 1   -5   25    6 o  625.419   5.3607  1353.76   23.204  1346.62   32.653  1361.05   32.981  623.728   7.5639  627.061   7.5994 -3.333069 10.72211 
1 1 1   -5   25    7 o  491.018   4.8718  834.411   16.556  825.124   23.174  844.094   23.662  488.256   6.8575  493.836   6.9230 -5.579773 9.744426 
1 1 1   -5   25    8 o  1233.16   8.7418  5263.88   74.610  5205.40  104.142  5325.54  106.943  1226.13   12.272  1240.19   12.459 -14.05908 17.48796 
1 1 1   -5   25    9 o  550.084   7.1979  1047.35   27.404  1047.35   27.404   0.0000   0.0000  550.084   7.1979  ?   ?  0.000000 7.197906 
1 1 1   -5   25   10 o  858.257   6.6282  2549.61   39.372  2547.72   55.319  2551.56   56.049  857.850   9.3173  858.491   9.4332 -0.6406860 13.25882 
1 1 1   -5   25   12 o  281.359   6.0550  274.028   11.791  289.428   14.010  236.634   21.832  289.143   7.0009  261.345   12.070 27.79764 13.95306 
1 1 1   -5   25   13 o  427.203   5.7871  631.795   17.111  637.388   20.403  618.537   31.416  429.057   6.8707  422.505   10.743 6.551727 12.75239 
1 1 1   -5   25   14 o  272.736   7.2738  257.644   13.730  257.644   13.730   0.0000   0.0000  272.736   7.2738  ?   ?  0.000000 7.273808 
1 1 1   -5   25   15 o   84.823   13.499   25.621   7.6591   30.384   8.7127   9.4244   16.067   92.444   14.061   64.733   25.101 27.71149 28.77063 
1 1 1   -5   25   16 o   66.663   16.227   16.127   7.4163   16.462   8.4809   15.039   15.288   67.430   17.881   70.147   24.989 -2.716583 30.72729 
1 1 1   -5   25   17 o  316.305   6.2003  346.798   13.574  346.691   16.478  347.024   23.940  316.131   7.5312  315.855   10.951 0.2764587 13.29091 
1 1 1   -5   25   18 o  201.436   7.3821  140.846   10.292  131.214   12.031  167.122   19.871  194.288   8.9472  218.304   13.214 -24.01582 15.95835 
1 1 1   -5   25   19 o   63.346   17.717   14.610   8.0715   2.9610   9.0601   59.415   17.769   45.166   18.403  127.549   20.849 -82.38254 27.80903 
1 1 1   -5   27    1 o  757.800   6.9255  1987.91   36.323  1908.03   42.840  2192.20   68.508  742.365   8.3378  795.500   12.443 -53.13501 14.97830 
1 1 1   -5   27    2 o  348.495   5.1906  420.354   12.520  410.727   15.174  440.878   22.157  344.467   6.3648  356.841   8.9712 -12.37457 10.99971 
1 1 1   -5   27    3 f  1144.10   9.4633  4532.05   74.935  4315.61  123.816  4657.15   94.132  1115.93   16.031  1159.63   11.728 -43.70471 19.86335 
1 1 1   -5   27    4 f  205.732   5.1616  146.490   7.3497  152.350   10.596  141.058   10.203  209.793   7.2978  201.868   7.3025 7.924026 10.32398 
1 1 1   -5   27    5 o  424.701   4.6788  624.244   13.753  616.160   19.431  632.359   19.469  421.921   6.6540  427.432   6.5810 -5.510925 9.358708 
1 1 1   -5   27    6 o  1202.85   8.5377  5008.29   71.077  4914.27   98.554  5110.19  102.605  1191.34   11.953  1214.84   12.203 -23.50269 17.08157 
1 1 1   -5   27    7 o  316.373   4.6484  346.401   10.179  364.283   14.436  328.722   14.354  324.425   6.4290  308.181   6.7295 16.24368 9.306952 
1 1 1   -5   27    8 o  1341.01   10.826  6225.82  100.480  6107.32  120.747  6492.68  181.196  1328.05   13.137  1368.83   19.126 -40.77673 23.20285 
1 1 1   -5   27    9 o  729.408   8.3445  1841.70   42.126  1841.70   42.126   0.0000   0.0000  729.408   8.3445  ?   ?  0.000000 8.344540 
1 1 1   -5   27   10 f  764.581   6.1408  2023.41   32.496  2067.23   46.556  1981.78   45.378  772.737   8.7050  756.599   8.6657 16.13782 12.28296 
1 1 1   -5   27   11 o  552.776   5.3235  1057.62   20.367  1085.18   28.844  1030.22   28.762  559.880   7.4437  545.513   7.6180 14.36694 10.65097 
1 1 1   -5   27   12 o  557.628   5.2792  1076.33   20.375  1078.12   23.184  1070.24   42.698  558.072   6.0025  555.814   11.099 2.258423 12.61848 
1 1 1   -5   27   13 o  391.970   5.6861  531.907   15.426  526.607   18.121  545.854   29.397  389.981   6.7136  396.865   10.702 -6.884186 12.63390 
1 1 1   -5   27   14 o  324.143   5.7670  363.831   12.938  363.831   12.938   0.0000   0.0000  324.143   5.7670  ?   ?  0.000000 5.767008 
1 1 1   -5   27   15 o  415.544   5.0492  597.967   14.522  596.374   16.508  603.415   30.534  414.949   5.7481  416.953   10.581 -2.003845 12.04140 
1 1 1   -5   27   16 o  315.080   5.2249  343.881   11.394  343.321   12.947  345.805   23.994  314.778   5.9427  315.437   10.990 -0.6585693 12.49410 
1 1 1   -5   27   17 o  214.944   6.1707  160.163   9.1799  162.480   10.374  151.805   19.706  216.444   6.9254  208.091   13.760 8.352524 15.40441 
1 1 1   -5   27   18 o  208.888   14.657  153.658   21.056   0.0000   0.0000  153.658   21.056  ?   ?   208.888   14.657 0.000000 14.65686 
1 1 1   -5   27   19 o  136.022   9.2778   64.742   8.6822   62.708   9.7243   72.732   19.277  133.632   10.601  141.476   20.266 -7.843735 22.87142 
1 1 1   -5   27   20 o  182.140   7.6445  115.477   9.6367  116.360   10.748  111.854   21.761  182.710   8.4995  176.076   18.115 6.634384 20.00990 
1 1 1   -5   29    1 o  1454.16   10.081  7321.57  101.456  7101.96  138.809  7573.46  148.660  1431.82   14.007  1478.53   14.527 -46.70679 20.18030 
1 1 1   -5   29    2 o  769.492   6.0844  2049.45   32.404  1986.64   44.573  2119.84   47.191  757.543   8.5013  782.519   8.7134 -24.97626 12.17355 
1 1 1   -5   29    3 o  1209.96   8.5882  5068.03   71.920  4959.12   99.482  5187.27  104.094  1196.69   12.011  1223.89   12.289 -27.19946 17.18375 
1 1 1   -5   29    4 o  991.944   10.327  3406.58   70.900   0.0000   0.0000  3406.58   70.900  ?   ?   991.944   10.327 0.000000 10.32716 
1 1 1   -5   29    5 o  585.761   5.2121  1187.50   21.131  1174.02   29.689  1201.34   30.081  582.396   7.3655  589.134   7.3774 -6.738159 10.42484 
1 1 1   -5   29    6 o  990.687   7.3103  3397.05   50.124  3427.90   71.447  3367.16   70.338  995.080   10.374  986.226   10.305 8.853760 14.62224 
1 1 1   -5   29    7 o  424.815   6.6252  624.618   19.479  624.618   19.479   0.0000   0.0000  424.815   6.6252  ?   ?  0.000000 6.625233 
1 1 1   -5   29    8 o  860.554   6.6176  2563.18   39.415  2532.62   54.967  2595.51   56.548  855.338   9.2851  865.888   9.4359 -10.54993 13.23812 
1 1 1   -5   29    9 o  893.081   6.8026  2760.75   42.048  2732.38   58.679  2790.70   60.282  888.383   9.5434  897.807   9.7013 -9.424133 13.60856 
1 1 1   -5   29   10 o  562.957   6.0115  1096.96   23.422  1120.49   39.403  1084.11   29.127  568.850   10.008  559.614   7.5203 9.236389 12.51863 
1 1 1   -5   29   11 o  844.256   6.5983  2467.40   38.555  2478.78   54.350  2455.86   54.702  846.064   9.2816  842.137   9.3851 3.927063 13.19956 
1 1 1   -5   29   12 o  142.554   10.872   70.819   10.646   98.585   18.342   56.713   13.073  167.809   15.986  126.969   15.177 40.83981 22.04309 
1 1 1   -5   29   13 o  421.974   4.9175  616.423   14.362  622.766   16.278  594.146   30.508  424.118   5.5455  413.999   10.647 10.11993 12.00486 
1 1 1   -5   29   14 o  287.198   5.8464  285.651   11.621  296.162   13.750  259.366   21.743  292.396   6.7943  273.373   11.492 19.02292 13.35018 
1 1 1   -5   29   15 o  245.023   5.6112  207.952   9.5156  205.811   10.528  217.512   22.243  243.731   6.2408  249.766   12.911 -6.035049 14.34031 
1 1 1   -5   29   16 o  215.590   5.9473  161.064   8.8741  168.078   10.023  135.610   19.093  220.201   6.5763  196.707   14.118 23.49440 15.57424 
1 1 1   -5   29   17 o  192.380   6.5578  128.351   8.7317  130.432   9.8726  120.878   18.711  193.880   7.3573  185.334   14.708 8.545380 16.44553 
1 1 1   -5   29   18 o  181.434   7.0375  114.277   8.8372  113.019   9.7529  120.049   20.889  180.367   7.8127  183.934   16.587 -3.567429 18.33492 
1 1 1   -5   29   19 o  231.458   9.3296  186.707   14.946  186.707   14.946   0.0000   0.0000  231.458   9.3296  ?   ?  0.000000 9.329612 
1 1 1   -5   29   20 o  183.175   7.2632  116.777   9.2081  114.152   10.188  128.488   21.519  180.974   8.1338  189.226   16.599 -8.251724 18.48438 
1 1 1   -5   31    1 o  258.309   7.1515  230.954   12.785   0.0000   0.0000  230.954   12.785  ?   ?   258.309   7.1515 0.000000 7.151522 
1 1 1   -5   31    2 o  549.943   5.1001  1046.72   19.412  1029.83   27.074  1064.58   27.847  545.460   7.1717  554.585   7.2550 -9.125061 10.20137 
1 1 1   -5   31    3 o  812.434   7.2916  2284.63   41.000  2269.27   70.159  2292.60   50.526  809.531   12.522  813.805   8.9705 -4.274658 15.40356 
1 1 1   -5   31    4 o  877.945   6.6800  2667.80   40.590  2641.99   56.918  2694.51   57.900  873.616   9.4136  882.253   9.4822 -8.637512 13.36139 
1 1 1   -5   31    5 o  897.480   7.8861  2787.99   48.985  2710.73   83.359  2828.75   60.541  884.765   13.613  903.966   9.6765 -19.20020 16.70164 
1 1 1   -5   31    6 o  646.525   5.5231  1446.65   24.714  1402.71   34.027  1495.72   35.955  636.597   7.7230  657.360   7.9027 -20.76349 11.04978 
1 1 1   -5   31    7 o  1416.28   11.354  6944.73  111.296  6934.17  136.312  6965.85  192.760  1415.02   13.919  1417.73   19.645 -2.709839 24.07576 
1 1 1   -5   31    8 o  269.194   5.1270  250.802   9.5522  256.109   13.090  244.756   13.971  272.014   6.9529  265.911   7.5911 6.102936 10.29411 
1 1 1   -5   31    9 o  1404.40   9.8196  6829.03   95.447  6633.56  130.684  7052.51  139.734  1383.80   13.645  1426.78   14.150 -42.97400 19.65750 
1 1 1   -5   31   10 o  1222.58   8.7182  5175.20   73.770  5053.43  101.547  5311.27  107.349  1207.82   12.148  1238.21   12.526 -30.39075 17.44918 
1 1 1   -5   31   11 o  771.828   8.7595  2062.90   46.792  2062.90   46.792   0.0000   0.0000  771.828   8.7595  ?   ?  0.000000 8.759458 
1 1 1   -5   31   12 o  272.656   6.1837  257.384   11.669  255.043   13.645  263.756   22.513  271.389   7.2645  275.841   11.792 -4.451752 13.85045 
1 1 1   -5   31   13 o  370.430   4.8919  475.057   12.542  482.605   14.104  446.537   27.416  373.342   5.4583  358.825   11.039 14.51660 12.31507 
1 1 1   -5   31   14 o   96.362   10.267   32.580   6.7421   31.124   7.4727   38.951   15.634   93.953   11.749  103.499   22.469 -9.545769 25.35556 
1 1 1   -5   31   15 f  198.950   7.5549  137.227   10.403  139.317   12.780  133.122   17.909  200.368   9.2154  195.121   13.342 5.247559 16.21485 
1 1 1   -5   31   16 o  244.255   5.4863  206.721   9.2747  209.231   10.433  197.268   20.250  245.695   6.1355  237.679   12.353 8.015213 13.79243 
1 1 1   -5   31   17 o   91.280   11.288   29.464   6.9794   32.092   7.6499   16.415   17.047   95.219   11.865   73.044   26.347 22.17515 28.89562 
1 1 1   -5   31   18 o  278.818   6.1211  269.716   11.812  269.716   11.812   0.0000   0.0000  278.818   6.1211  ?   ?  0.000000 6.121069 
1 1 1   -5   31   19 o  115.553   10.032   46.956   7.9437   46.702   8.7377   48.166   19.071  115.031   11.113  112.906   25.060 2.124687 27.41349 
1 1 1   -5   33    1 o  1827.88   14.356 11571.34  181.619 11392.50  218.530 11970.73  326.578  1813.36   17.412  1857.60   25.401 -44.23950 30.79618 
1 1 1   -5   33    2 o  929.956   6.9794  2993.30   44.922  2938.51   62.375  3052.34   64.748  921.325   9.7819  938.995   9.9630 -17.66913 13.96233 
1 1 1   -5   33    3 o  659.308   6.4406  1504.49   29.390  1466.83   49.258  1525.30   36.622  650.914   10.934  663.828   7.9710 -12.91333 13.53103 
1 1 1   -5   33    4 o  1178.84   8.4324  4810.23   68.799  4661.41   94.175  4980.56  100.751  1160.33   11.727  1199.37   12.137 -39.04431 16.87687 
1 1 1   -5   33    5 o  676.510   5.6975  1583.96   26.677  1563.36   37.306  1605.53   38.163  672.059   8.0203  681.059   8.0963 -9.000366 11.39626 
1 1 1   -5   33    6 o  1488.44   14.592  7672.87  150.325  7356.10  204.061  8048.78  222.291  1456.85   20.238  1523.80   21.077 -66.94971 29.22039 
1 1 1   -5   33    7 o  617.646   5.4525  1320.33   23.308  1294.34   32.333  1348.45   33.630  611.498   7.6398  624.147   7.7852 -12.64880 10.90758 
1 1 1   -5   33    8 o  354.610   4.9088  435.214   12.048  425.083   16.509  446.757   17.621  350.438   6.8067  359.257   7.0870 -8.819489 9.826304 
1 1 1   -5   33    9 o  273.234   6.0240  258.415   11.392  245.610   17.345  268.129   15.107  266.335   9.4094  278.300   7.8433 -11.96579 12.24969 
1 1 1   -5   33   11 o  212.422   13.137  157.024   19.219  157.024   19.219   0.0000   0.0000  212.422   13.137  ?   ?  0.000000 13.13718 
1 1 1   -5   33   12 o  129.521   10.273   58.508   9.1331   70.703   10.586   23.015   18.061  142.405   10.822   82.870   27.227 59.53471 29.29930 
1 1 1   -5   33   13 o   66.069   17.649   15.730   8.2231   11.383   9.5026   28.693   16.408   58.961   19.764   89.321   25.359 -30.36028 32.15087 
1 1 1   -5   33   14 o  104.940   9.0004   38.474   6.4738   44.338   7.0882   8.9805   15.896  112.690   9.1676   63.954   24.920 48.73627 26.55297 
1 1 1   -5   33   15 o   88.959   11.777   27.996   7.0727   21.942   8.0182   49.220   15.013   77.962   15.406  117.019   19.203 -39.05691 24.61957 
1 1 1   -5   33   16 o  291.216   5.2003  293.845   10.481  309.013   11.965  243.805   21.732  298.593   5.7897  264.573   11.868 34.02036 13.20513 
1 1 1   -5   33   17 o  107.948   9.6158   40.859   7.1090   34.448   7.7943   72.585   17.338   98.715   11.631  142.423   17.990 -43.70724 21.42286 
1 1 1   -5   33   18 o   96.762   11.078   33.109   7.2852   35.507   7.9326   20.185   18.412  100.136   11.664   78.039   27.464 22.09732 29.83801 
1 1 1   -5   33   19 o  209.886   6.4355  153.046   9.3485  148.312   10.275  175.805   22.529  206.514   7.1887  222.659   14.702 -16.14474 16.36525 
1 1 1   -5   35    1 o  292.132   4.8908  295.352   9.8886  307.954   13.956  282.646   14.013  298.288   6.7601  285.766   7.0852 12.52182 9.792802 
1 1 1   -5   35    2 o  1650.32   16.025  9433.42  183.038  9082.93  247.883  9853.66  271.428  1618.72   22.126  1685.85   23.263 -67.13013 32.10440 
1 1 1   -5   35    3 o  834.285   6.4902  2409.01   37.476  2379.54   52.357  2439.99   53.666  829.106   9.1240  839.568   9.2356 -10.46204 12.98240 
1 1 1   -5   35    4 o  887.435   7.8059  2725.93   47.944  2682.93   81.117  2749.01   59.437  880.226   13.315  891.134   9.6369 -10.90857 16.43651 
1 1 1   -5   35    5 o  919.116   6.9542  2923.94   44.238  2890.22   61.840  2959.27   63.309  913.720   9.7787  924.566   9.8935 -10.84558 13.91058 
1 1 1   -5   35    6 o  1100.75   7.9851  4194.18   60.834  4188.68   85.826  4199.73   86.241  1099.88   11.275  1101.33   11.314 -1.447998 15.97260 
1 1 1   -5   35    7 o  812.769   7.4443  2286.67   41.876  2235.61   71.952  2312.82   51.497  803.415   12.940  817.347   9.1033 -13.93170 15.82103 
1 1 1   -5   35    8 o  890.661   7.8303  2746.20   48.269  2705.37   81.095  2768.61   60.069  883.709   13.259  894.198   9.7060 -10.48895 16.43178 
1 1 1   -5   35    9 o  855.013   6.6497  2530.65   39.351  2459.27   54.021  2611.33   57.437  842.743   9.2618  868.388   9.5565 -25.64575 13.30813 
1 1 1   -5   35   10 o  337.350   5.1937  393.927   12.127  395.974   16.431  391.478   17.971  338.191   7.0200  336.250   7.7219 1.941223 10.43591 
1 1 1   -5   35   11 o  360.211   5.8343  449.206   14.545  447.391   17.152  453.854   27.445  359.452   6.8945  361.874   10.958 -2.422180 12.94641 
1 1 1   -5   35   12 o   79.416   14.026   22.547   7.4275   19.711   9.7426   26.483   11.477   73.847   18.964   85.494   19.788 -11.64705 27.40796 
1 1 1   -5   35   13 o  364.522   6.8598  460.344   17.307  460.344   17.307   0.0000   0.0000  364.522   6.8598  ?   ?  0.000000 6.859768 
1 1 1   -5   35   14 o  316.983   10.821  348.976   23.739   0.0000   0.0000  348.976   23.739  ?   ?   316.983   10.821 0.000000 10.82077 
1 1 1   -5   35   15 o  145.415   6.8685   73.312   6.9127   71.612   7.6325   81.073   16.306  143.477   7.7145  151.519   15.780 -8.041443 17.56492 
1 1 1   -5   35   16 o  149.011   7.9948   77.306   8.2151   70.049   9.1532  107.366   18.629  141.653   9.3895  174.405   15.597 -32.75211 18.20553 
1 1 1   -5   35   17 o   38.224   15.788   1.5262   6.7828   1.5262   6.7828   0.0000   0.0000   38.224   15.788  ?   ?  0.000000 15.78750 
1 1 1   -5   35   18 o   38.715   15.689   2.2962   6.5419  -1.4140   7.0139   27.112   18.140   34.906   15.270   86.102   27.202 -51.19620 31.19473 
1 1 1   -5   35   19 o  119.878   10.430   50.662   8.5674   51.628   9.4641   46.278   20.164  120.798   11.457  109.568   26.810 11.23000 29.15505 
1 1 1   -5   37    1 o  936.576   7.0529  3036.05   45.718  2952.57   62.959  3129.18   66.496  923.532   9.8498  950.745   10.105 -27.21198 14.11167 
1 1 1   -5   37    2 o  1102.74   8.0028  4209.10   61.079  4055.83   83.234  4387.95   89.909  1082.36   11.111  1125.78   11.539 -43.42419 16.01893 
1 1 1   -5   37    3 f  423.995   4.9468  622.167   14.517  595.454   19.732  653.682   21.432  414.775   6.8736  434.579   7.1256 -19.80423 9.900537 
1 1 1   -5   37    4 o  640.783   6.4074  1421.15   28.417  1415.14   34.800  1433.17   49.227  639.401   7.8638  643.383   11.055 -3.981934 13.56657 
1 1 1   -5   37    5 o  640.546   6.3879  1420.13   28.319  1406.80   34.672  1446.83   49.084  637.505   7.8582  646.425   10.971 -8.920776 13.49489 
1 1 1   -5   37    6 o  401.330   4.9988  557.450   13.885  540.524   19.218  575.935   20.084  395.166   7.0265  407.903   7.1139 -12.73743 9.999000 
1 1 1   -5   37    7 o  1164.48   8.3879  4694.49   67.602  4545.36   92.475  4865.67   99.073  1145.61   11.663  1185.25   12.077 -39.64404 16.78947 
1 1 1   -5   37    8 o  1033.99   8.8593  3701.85   63.401  3669.27  109.737  3718.18   77.677  1028.87   15.410  1036.13   10.832 -7.265259 18.83642 
1 1 1   -5   37    9 o  428.456   5.1014  635.411   15.128  612.661   20.317  663.717   22.663  420.676   6.9779  437.840   7.4786 -17.16431 10.22840 
1 1 1   -5   37   11 o  289.607   6.0007  290.405   12.028  298.260   14.456  272.732   21.684  293.464   7.1171  280.464   11.171 13.00015 13.24529 
1 1 1   -5   37   12 f  342.584   5.0804  406.365   12.046  405.687   16.283  407.184   17.903  342.221   6.8746  342.817   7.5457 -0.5959473 10.20767 
1 1 1   -5   37   13 o  135.557   9.5293   64.060   8.8836   57.756   12.936   69.687   12.221  127.956   14.885  141.039   12.655 -13.08325 19.53707 
1 1 1   -5   37   14 o   57.313   14.313   11.897   5.6607   10.834   6.1086   18.356   15.061   54.972   15.426   74.175   24.881 -19.20330 29.27504 
1 1 1   -5   37   15 o  182.689   5.9127  115.675   7.4761  113.790   8.2979  123.805   17.231  181.160   6.6181  187.951   13.332 -6.791412 14.88463 
1 1 1   -5   37   16 o  313.682   4.9499  340.968   10.746  343.753   11.929  328.976   24.756  314.913   5.4731  307.176   11.644 7.736847 12.86657 
1 1 1   -5   37   17 o  107.924   10.070   40.935   7.4349   46.986   8.1339   10.195   18.332  115.657   10.268   67.439   26.616 48.21764 28.52842 
1 1 1   -5   37   18 f  248.178   5.6721  213.742   9.7429  207.967   10.621  244.390   24.468  244.726   6.2707  263.344   13.469 -18.61790 14.85762 
1 1 1   -5   39    1 o  535.441   5.9907  992.275   22.201  956.098   37.365  1012.02   27.601  525.517   10.273  540.721   7.3751 -15.20380 12.64639 
1 1 1   -5   39    2 o  605.481   5.4672  1268.82   22.911  1265.18   32.141  1272.58   32.666  604.575   7.6813  606.339   7.7841 -1.764282 10.93594 
1 1 1   -5   39    3 o  465.110   5.0879  748.699   16.378  713.356   22.260  790.419   24.185  453.975   7.0846  477.864   7.3124 -23.88892 10.18148 
1 1 1   -5   39    4 o  1080.00   9.0812  4037.99   67.881  3989.64   82.225  4141.46  120.283  1073.41   11.068  1093.31   15.896 -19.89502 19.36947 
1 1 1   -5   39    5 o  506.018   5.2183  886.219   18.276  885.283   25.587  887.193   26.113  505.716   7.3103  506.258   7.4526 -0.5425720 10.43938 
1 1 1   -5   39    6 o  555.524   7.6855  1068.33   29.550   0.0000   0.0000  1068.33   29.550  ?   ?   555.524   7.6855 0.000000 7.685544 
1 1 1   -5   39    7 o  1024.98   8.7321  3637.51   61.946  3637.56  106.170  3637.49   76.275  1024.47   14.974  1024.84   10.753 -0.3704834 18.43486 
1 1 1   -5   39    8 o  669.065   6.7970  1549.70   31.475  1413.66   51.892  1628.88   39.589  638.785   11.737  685.879   8.3396 -47.09381 14.39843 
1 1 1   -5   39    9 o  609.106   6.5449  1284.47   27.591  1185.85   45.549  1341.63   34.678  585.006   11.250  622.442   8.0497 -37.43549 13.83298 
1 1 1   -5   39   10 o  348.397   5.7875  420.241   13.955  410.083   16.594  444.780   25.793  344.125   6.9673  358.240   10.403 -14.11465 12.52030 
1 1 1   -5   39   11 o  133.576   8.5162   62.080   7.8322   56.786   10.104   70.048   12.397  127.417   11.584  141.482   12.798 -14.06495 17.26252 
1 1 1   -5   39   12 o  314.084   5.1754  341.602   11.250  357.689   15.415  323.268   16.457  321.311   6.9318  305.413   7.7854 15.89774 10.42410 
1 1 1   -5   39   13 o  112.502   9.6752   44.249   7.4602   40.419   9.6438   49.956   11.773  106.968   13.314  118.880   14.616 -11.91125 19.77117 
1 1 1   -5   39   14 o  106.720   11.422   40.058   8.3056   30.405   9.6809   66.976   16.166   92.033   15.766  137.255   17.409 -45.22236 23.48661 
1 1 1   -5   39   15 o  307.337   5.6027  327.370   11.917  331.294   13.877  316.341   23.264  309.093   6.4866  301.435   11.151 7.657623 12.90028 
1 1 1   -5   39   16 o   68.541   12.840   16.941   5.8673   17.065   6.3157   16.156   15.854   68.639   13.774   71.472   25.448 -2.832504 28.93650 
1 1 1   -5   39   17 o  131.957   7.5331   60.710   6.8514   59.755   7.2921   67.902   20.012  130.836   8.0925  136.080   21.998 -5.243896 23.43972 
1 1 1   -5   39   18 o   70.599   17.160   18.422   8.3027   16.556   9.1421   27.205   19.836   67.068   18.890   86.345   28.542 -19.27763 34.22713 
1 1 1   -5   41    1 o  637.520   11.168  1407.32   49.278  1407.32   49.278   0.0000   0.0000  637.520   11.168  ?   ?  0.000000 11.16810 
1 1 1   -5   41    2 o  1129.36   8.1887  4415.26   64.007  4265.21   87.373  4589.05   94.031  1109.84   11.375  1151.17   11.802 -41.33289 16.39120 
1 1 1   -5   41    3 o  586.554   5.4552  1190.78   22.146  1159.90   30.539  1225.02   32.162  578.856   7.6227  594.880   7.8116 -16.02386 10.91451 
1 1 1   -5   41    4 o  666.989   6.7097  1539.91   30.974  1494.43   36.647  1653.66   57.957  657.029   8.0589  690.987   12.119 -33.95831 14.55368 
1 1 1   -5   41    5 o  1350.37   9.5124  6313.90   88.903  6174.65  122.646  6468.09  129.056  1335.04   13.273  1366.35   13.647 -31.31189 19.03740 
1 1 1   -5   41    6 o  753.320   7.1310  1964.54   37.180  1914.63   61.711  1992.97   46.583  743.450   11.993  758.679   8.8714 -15.22968 14.91779 
1 1 1   -5   41    7 o  1096.63   8.0213  4163.82   60.881  3970.22   81.973  4401.97   90.918  1070.58   11.063  1127.22   11.654 -56.64722 16.06858 
1 1 1   -5   41    8 o  649.287   8.1872  1459.85   36.792   0.0000   0.0000  1459.85   36.792  ?   ?   649.287   8.1872 0.000000 8.187216 
1 1 1   -5   41    9 o  489.442   10.774  830.244   36.498  830.244   36.498   0.0000   0.0000  489.442   10.774  ?   ?  0.000000 10.77433 
1 1 1   -5   41   10 o  376.854   5.1364  491.689   13.397  495.009   18.089  487.655   19.938  378.054   6.9134  375.200   7.6780 2.854492 10.33180 
1 1 1   -5   41   11 o  205.398   6.2202  146.121   8.8425  146.058   11.396  146.216   14.017  205.295   8.0206  205.330   9.8634 -0.3578186E-01 12.71286 
1 1 1   -5   41   12 o  139.198   8.9345   67.478   8.5622   73.756   12.244   61.470   11.978  145.168   12.302  132.298   13.260 12.87032 18.08761 
1 1 1   -5   41   13 o  122.076   8.7242   51.971   7.3225   53.335   9.5459   50.022   11.414  123.358   11.307  118.992   14.136 4.365631 18.10137 
1 1 1   -5   41   14 f  175.512   6.7855  106.814   8.2425  109.189   10.804  103.507   12.749  177.331   8.8030  172.183   10.752 5.147995 13.89617 
1 1 1   -5   41   15 o  111.964   8.5983   43.808   6.6121   43.808   6.6121   0.0000   0.0000  111.964   8.5983  ?   ?  0.000000 8.598337 
1 1 1   -5   41   16 o  149.706   6.5039   77.776   6.7389   73.872   7.1847  106.341   19.434  145.859   7.1170  173.012   16.427 -27.15265 17.90240 
1 1 1   -5   41   17 o  149.167   6.6646   77.283   6.8806   76.920   7.3044   80.146   20.498  148.779   7.0935  148.373   20.509 0.4064789 21.70091 
1 1 1   -5   41   18 o  114.407   8.6956   45.920   6.8339   44.353   7.3042   56.927   19.357  112.279   9.4881  122.864   23.621 -10.58479 25.45570 
1 1 1   -5   43    1 o  363.465   5.1745  457.234   13.017  456.961   17.987  457.534   18.862  363.331   7.1528  363.554   7.4961 -0.2226868 10.36122 
1 1 1   -5   43    2 o  702.810   5.9613  1709.68   28.997  1661.32   39.950  1763.52   42.155  692.731   8.3326  713.714   8.5339 -20.98285 11.92720 
1 1 1   -5   43    3 f  599.155   6.3452  1242.61   26.312  1226.54   31.933  1276.58   46.439  595.233   7.7512  607.138   11.051 -11.90540 13.49875 
1 1 1   -5   43    4 o  541.455   5.4089  1014.74   20.270  967.766   27.556  1070.13   29.922  528.725   7.5302  555.978   7.7759 -27.25287 10.82445 
1 1 1   -5   43    5 o  807.353   7.4872  2256.59   41.837  2206.84   49.818  2375.61   77.061  798.331   9.0163  827.992   13.447 -29.66113 16.19016 
1 1 1   -5   43    6 o  522.406   5.3626  944.643   19.389  949.753   26.996  939.199   27.865  523.758   7.4472  520.831   7.7302 2.927612 10.73387 
1 1 1   -5   43    7 o  915.773   7.0322  2903.61   44.571  2780.15   60.340  3051.87   66.124  895.890   9.7313  938.608   10.179 -42.71844 14.08212 
1 1 1   -5   43    8 o  225.847   7.6782  176.646   12.002  201.073   20.815  164.480   14.690  240.481   12.550  217.882   9.7413 22.59915 15.88663 
1 1 1   -5   43    9 o  307.931   5.9885  328.331   12.763  349.625   15.671  286.390   21.994  317.721   7.1266  287.388   11.057 30.33289 13.15497 
1 1 1   -5   43   10 f  417.053   6.2168  602.394   17.945  520.488   29.343  651.325   22.680  387.335   10.946  433.576   7.5578 -46.24130 13.30147 
1 1 1   -5   43   11 o  409.981   5.0509  582.055   14.332  546.558   19.009  628.814   21.817  397.168   6.9152  425.968   7.4002 -28.80063 10.12831 
1 1 1   -5   43   12 o  266.374   5.3567  245.772   9.8756  254.642   13.190  234.455   14.898  271.047   7.0309  260.002   8.2792 11.04578 10.86174 
1 1 1   -5   43   13 o  305.396   5.1788  323.098   10.946  332.181   14.555  311.270   16.609  309.540   6.7937  299.532   8.0116 10.00824 10.50428 
1 1 1   -5   43   14 o  192.420   6.3726  128.383   8.4868  136.312   11.283  118.049   12.880  198.143   8.2272  183.957   10.155 14.18552 13.06970 
1 1 1   -5   43   15 o   59.991   13.816   13.093   5.6181   14.759   5.9885   0.8615   16.227   63.721   13.964   56.066   23.861 7.654888 27.64709 
1 1 1   -5   43   16 o  203.979   5.4568  144.299   7.7038  145.577   8.3366  136.829   20.158  204.844   5.8802  196.709   14.917 8.135254 16.03413 
1 1 1   -5   43   17 o  115.093   8.2506   46.360   6.5286   45.745   6.9039   51.561   20.074  114.235   8.7999  116.572   25.583 -2.337036 27.05427 
1 1 1   -5   45    1 o  448.041   5.2365  694.805   16.238  681.823   22.427  709.109   23.542  443.797   7.3015  452.585   7.5156 -8.788239 10.47834 
1 1 1   -5   45    2 o  1034.38   7.6897  3704.13   55.051  3567.64   74.916  3864.34   81.167  1014.95   10.665  1056.28   11.103 -41.32544 15.39497 
1 1 1   -5   45    3 f  907.560   6.9847  2851.37   43.873  2760.93   60.055  2954.89   64.250  892.900   9.7178  923.710   10.050 -30.81018 13.97981 
1 1 1   -5   45    4 o  619.131   5.6600  1326.86   24.254  1268.86   32.947  1395.47   35.835  605.377   7.8634  634.849   8.1557 -29.47241 11.32906 
1 1 1   -5   45    5 o  147.455   10.057   75.661   10.203   67.268   15.790   81.677   13.368  138.229   16.854  152.991   12.741 -14.76218 21.12761 
1 1 1   -5   45    7 o  176.035   8.2664  107.332   10.071   95.415   14.532  118.348   13.971  165.380   12.795  184.458   10.994 -19.07826 16.86938 
1 1 1   -5   45    8 o  354.750   7.0786  435.860   17.380  435.860   17.380   0.0000   0.0000  354.750   7.0786  ?   ?  0.000000 7.078596 
1 1 1   -5   45    9 o  567.577   5.4303  1115.46   21.332  1066.71   28.745  1175.23   31.825  554.884   7.4849  582.388   7.8954 -27.50415 10.87936 
1 1 1   -5   45   10 o  330.787   5.1798  378.908   11.859  358.279   15.664  406.607   18.151  321.566   7.0381  342.529   7.6564 -20.96341 10.39980 
1 1 1   -5   45   11 o  226.666   7.6267  178.109   11.965  174.878   20.273  179.836   14.821  223.833   13.144  227.658   9.4063 -3.825058 16.16317 
1 1 1   -5   45   12 o  144.178   7.7452   72.302   7.7004   72.103   9.7672   72.629   12.518  143.751   9.8770  143.894   12.699 -0.1425781 16.08812 
1 1 1   -5   45   13 o   33.630   14.684  -1.3182   6.4586  -3.6968   7.9096   3.4411   11.188   34.972   15.703   50.084   20.434 -15.11241 25.77064 
1 1 1   -5   45   14 o   74.962   15.275   20.390   7.6562   17.922   8.7039   28.829   16.096   70.032   17.892   88.548   25.108 -18.51603 30.83113 
1 1 1   -5   45   15 o  198.306   5.4325  136.354   7.4562  139.890   8.1017  116.781   19.062  200.831   5.8287  181.679   15.302 19.15160 16.37428 
1 1 1   -5   45   16 o  192.709   6.1862  128.915   8.2510  124.615   8.9735  152.439   20.989  189.402   6.8454  207.570   14.705 -18.16812 16.22014 
1 1 1   -5   45   17 o  136.456   7.2866   64.975   6.8568   66.537   7.2715   52.439   20.598  138.036   7.6410  116.993   26.102 21.04300 27.19718 
1 1 1   -5   47    1 o  842.872   6.6706  2459.40   38.914  2450.42   54.641  2468.65   55.432  841.180   9.3855  844.297   9.4861 -3.117065 13.34439 
1 1 1   -5   47    2 o  480.321   5.3237  798.575   17.698  805.450   24.834  791.479   25.229  482.329   7.4391  478.122   7.6239 4.207001 10.65196 
1 1 1   -5   47    3 o  719.224   7.0431  1790.90   35.060  1637.56   56.597  1886.39   44.661  687.456   11.895  738.058   8.7429 -50.60205 14.76259 
1 1 1   -5   47    4 o  485.234   6.0993  815.105   20.484  776.585   33.716  837.640   25.789  473.467   10.289  491.846   7.5757 -18.37985 12.77698 
1 1 1   -5   47    5 o  672.765   5.8734  1566.93   27.348  1506.63   37.278  1637.19   40.245  659.571   8.1661  687.536   8.4573 -27.96527 11.75638 
1 1 1   -5   47    6 o  305.238   5.6585  322.564   11.954  317.901   16.014  328.431   17.965  302.968   7.6372  307.918   8.4296 -4.949829 11.37478 
1 1 1   -5   47    7 o  308.680   6.1343  329.942   13.105  329.189   15.720  331.659   23.732  308.284   7.3675  309.261   11.087 -0.9768982 13.31196 
1 1 1   -5   47    8 o  139.599   8.5897   67.795   8.2590   64.194   10.796   72.875   12.824  135.518   11.623  144.292   12.980 -8.773819 17.42330 
1 1 1   -5   47    9 o  266.187   5.6483  245.391   10.406  241.349   13.875  250.586   15.732  263.903   7.5964  268.861   8.4543 -4.958038 11.36575 
1 1 1   -5   47   10 o  407.954   5.8036  576.497   16.387  579.512   25.898  574.483   21.161  408.722   9.1552  407.107   7.5103 1.614929 11.84151 
1 1 1   -5   47   11 o   80.646   17.840   23.634   9.6937   14.756   16.028   28.755   12.172   70.517   25.530   88.792   20.255 -18.27473 32.58912 
1 1 1   -5   47   12 f  209.069   6.0871  151.497   8.8080  148.458   11.250  156.310   14.159  206.855   7.8578  212.116   9.6444 -5.261078 12.44029 
1 1 1   -5   47   13 o  322.537   5.7061  360.596   12.738  383.844   15.325  308.634   22.911  332.673   6.6558  297.710   11.119 34.96240 12.95906 
1 1 1   -5   47   14 o  167.271   6.7423   97.094   7.8056  103.368   10.062   87.612   12.370  172.457   8.4299  158.091   11.381 14.36597 14.16317 
1 1 1   -5   47   15 o  125.432   8.3627   54.966   7.2183   48.458   9.1632   65.609   11.718  117.229   11.439  136.344   12.559 -19.11525 16.98807 
1 1 1   -5   47   16 o  114.182   10.165   45.894   7.9491   44.084   8.6938   55.122   19.630  111.642   11.412  121.100   24.266 -9.458412 26.81521 
1 1 1   -5   49    1 o  843.510   7.7058  2463.77   44.987  2479.21   55.181  2433.17   77.685  846.018   9.4239  837.723   13.399 8.294678 16.38079 
1 1 1   -5   49    2 o  294.715   7.8998  300.783   16.114  300.783   16.114   0.0000   0.0000  294.715   7.8998  ?   ?  0.000000 7.899785 
1 1 1   -5   49    3 o  783.532   6.3884  2125.56   34.644  2096.64   48.347  2156.09   49.667  777.997   8.9787  788.939   9.0959 -10.94263 12.78095 
1 1 1   -5   49    4 o  599.281   6.5245  1243.53   27.062  1190.24   45.544  1272.61   33.645  585.973   11.230  606.159   8.0197 -20.18658 13.79960 
1 1 1   -5   49    5 o  111.263   11.185   43.354   8.4967   41.909   11.173   45.334   13.084  108.804   15.257  112.913   17.293 -4.108887 23.06147 
1 1 1   -5   49    6 o  111.231   13.851   43.620   10.432   46.795   17.173   41.763   13.134  113.811   22.598  108.083   18.204 5.727287 29.01820 
1 1 1   -5   49    7 f  175.283   10.066  106.898   12.160  106.898   12.160   0.0000   0.0000  175.283   10.066  ?   ?  0.000000 10.06587 
1 1 1   -5   49    8 o  251.924   5.8901  219.813   10.270  208.816   13.653  234.147   15.587  245.452   8.0366  259.880   8.6658 -14.42825 11.81876 
1 1 1   -5   49    9 o  208.066   6.5390  149.997   9.4165  150.520   12.359  149.272   14.539  208.337   8.5711  207.385   10.129 0.9521179 13.26914 
1 1 1   -5   49   10 o  210.862   6.2646  154.072   9.1427  155.519   11.740  151.842   14.573  211.761   8.0105  209.111   10.069 2.650574 12.86712 
1 1 1   -5   49   11 o  144.658   7.9795   72.821   7.9581   63.857   9.8992   89.197   13.381  135.117   10.672  159.612   12.205 -24.49487 16.21319 
1 1 1   -5   49   12 o  162.329   9.3235   91.866   10.431  114.878   17.617   79.442   12.944  180.789   14.193  150.439   12.546 30.35078 18.94351 
1 1 1   -5   49   13 o  284.241   5.2898  280.037   10.406  276.358   13.788  284.907   15.863  282.193   7.0595  286.408   8.0027 -4.215759 10.67144 
1 1 1   -5   49   14 f  206.159   6.0240  147.443   8.5954  168.860   11.518  120.530   12.912  220.469   7.5486  185.715   10.083 34.75363 12.59578 
1 1 1   -5   49   15 o  143.373   7.4796   71.656   7.3963   81.897   9.7767   57.950   11.310  153.018   9.2753  127.893   12.956 25.12526 15.93403 
1 1 1   -5   51    1 o  422.375   6.0932  617.695   17.812  605.060   21.275  647.317   32.575  417.983   7.3540  432.134   10.892 -14.15137 13.14186 
1 1 1   -5   51    2 o  261.258   6.0145  236.330   10.875  236.648   14.979  235.976   15.815  261.370   8.2806  260.983   8.7556 0.3869324 12.05105 
1 1 1   -5   51    3 o  152.210   10.121   80.658   10.602   92.878   17.766   73.900   13.212  162.721   15.981  145.328   13.282 17.39392 20.77988 
1 1 1   -5   51    4 o  135.387   9.3880   63.833   8.7424   69.013   11.634   57.111   13.251  140.524   12.079  127.293   15.351 13.23107 19.53307 
1 1 1   -5   51    5 f  125.393   10.144   54.876   8.7285   47.749   11.791   63.518   12.983  116.258   15.004  134.480   14.162 -18.22271 20.63181 
1 1 1   -5   51    6 o  127.313   13.349   56.922   11.588   56.922   11.588   0.0000   0.0000  127.313   13.349  ?   ?  0.000000 13.34910 
1 1 1   -5   51    7 f  351.561   5.3442  428.018   13.003  423.879   17.803  432.751   19.038  349.745   7.3547  353.357   7.7847 -3.612457 10.70945 
1 1 1   -5   51    8 o  252.963   6.8948  221.747   12.071  215.782   13.961  239.415   24.027  249.472   8.0859  262.024   13.292 -12.55179 15.55857 
1 1 1   -5   51    9 o  346.687   6.0828  416.449   14.595  417.220   22.457  415.885   19.205  346.713   9.3583  346.294   8.0129 0.4190063 12.32008 
1 1 1   -5   51   10 o  312.544   5.3383  338.419   11.548  324.298   15.116  358.208   17.894  305.819   7.1417  321.324   8.0463 -15.50519 10.75856 
1 1 1   -5   51   11 o  154.219   7.5148   82.518   8.0211   87.930   10.235   73.902   12.914  158.810   9.3528  145.003   13.006 13.80713 16.01966 
1 1 1   -5   51   12 o   39.882   18.285  -7.8805   11.434   6.1220   16.408 -21.1024   15.944   61.240   24.835   41.369   19.772 19.87157 31.74502 
1 1 1   -5   51   13 o   51.304   16.704   8.9735   6.8032   7.8952   8.6041   10.772   11.112   51.632   18.703   59.320   21.286 -7.688225 28.33575 
1 1 1   -5   51   14 o   44.521   16.841   5.1317   7.1122   11.512   9.3547  -3.6090   10.949   58.427   19.609   42.124   18.724 16.30375 27.11276 
1 1 1   -5   51   15 o   55.014   15.591   10.998   6.2078   18.389   7.6458  -3.2980   10.634   70.698   15.999   41.586   18.470 29.11219 24.43613 
1 1 1   -5   53    1 o  649.895   5.8281  1462.54   26.215  1449.92   36.621  1475.80   37.542  646.888   8.1795  652.622   8.3115 -5.732910 11.66130 
1 1 1   -5   53    2 o  397.814   6.1360  548.052   16.894  558.537   28.786  542.542   20.866  401.332   10.363  395.732   7.6183 5.600494 12.86221 
1 1 1   -5   53    3 f  135.671   9.3725   64.114   8.7468   62.189   11.897   66.380   12.904  133.189   13.075  137.557   13.737 -4.367538 18.96478 
1 1 1   -5   53    4 o  312.262   5.6122  337.664   12.129  339.794   16.625  335.241   17.735  313.151   7.6707  311.016   8.2388 2.135864 11.25686 
1 1 1   -5   53    5 o  186.040   7.3390  119.929   9.4498  109.175   12.822  132.716   13.982  177.074   10.509  195.307   10.381 -18.23303 14.77151 
1 1 1   -5   53    6 o  153.761   8.4229   82.215   8.9295   72.137   11.927   95.071   13.470  143.593   12.114  165.016   11.874 -21.42305 16.96260 
1 1 1   -5   53    7 o  120.726   10.348   50.968   8.5625   51.746   11.383   49.953   12.995  121.163   13.821  118.596   16.260 2.566704 21.34027 
1 1 1   -5   53    8 o  105.910   12.875   39.602   9.2434   24.956   13.407   52.870   12.761   82.878   22.703  122.162   15.438 -39.28496 27.45478 
1 1 1   -5   53    9 o   49.063   17.953   6.8126   7.9564   14.240   9.9428  -6.4105   13.267   63.984   20.130   45.014   20.264 18.96962 28.56273 
1 1 1   -5   53   10 o  218.705   6.2481  165.817   9.4576  162.882   12.254  170.141   14.874  216.625   8.1730  221.262   9.7127 -4.637161 12.69392 
1 1 1   -5   53   11 o  250.788   6.3492  218.113   11.021  217.219   13.006  220.390   20.753  250.168   7.5116  251.423   11.926 -1.254593 14.09465 
1 1 1   -5   53   12 o  158.885   7.5380   87.665   8.2892   87.094   10.547   88.587   13.407  157.895   9.6978  158.798   12.295 -0.9032288 15.65904 
1 1 1   -5   53   13 f  122.325   12.155   52.832   10.154   67.463   19.063   47.037   11.998  136.067   20.912  114.605   15.526 21.46213 26.04533 
1 1 1   -5   53   14 o   90.745   11.387   29.254   6.9942   32.095   8.7733   24.299   11.586   94.578   13.810   80.788   20.644 13.79012 24.83687 
1 1 1   -5   55    1 o  189.883   7.2588  124.924   9.5395  138.752   13.136  109.494   13.876  200.030   9.4884  177.252   11.371 22.77834 14.80976 
1 1 1   -5   55    2 o   61.370   19.486   12.915   9.2991   7.3944   11.059   26.239   17.180   55.035   20.956   86.215   26.353 -31.18046 33.66950 
1 1 1   -5   55    3 o  333.987   5.3723  386.295   12.418  395.376   17.312  376.669   17.824  337.781   7.4051  329.668   7.8117 8.113312 10.76375 
1 1 1   -5   55    4 o  420.741   5.3374  613.063   15.542  633.205   21.917  592.687   22.044  427.446   7.4084  413.520   7.7023 13.92627 10.68687 
1 1 1   -5   55    5 o  240.958   7.0491  201.213   11.756  199.614   14.117  204.829   21.231  239.921   8.5018  242.396   12.700 -2.475418 15.28263 
1 1 1   -5   55    6 o  145.019   10.508   73.412   10.475   60.439   17.400   80.786   13.118  129.880   19.998  151.893   12.592 -22.01350 23.63206 
1 1 1   -5   55    7 o  230.448   6.3230  184.038   10.085  178.156   13.513  191.434   15.152  226.598   8.6162  234.838   9.3223 -8.239822 12.69424 
1 1 1   -5   55    9 o  312.711   6.4372  339.037   13.932  343.416   16.347  327.415   26.632  314.618   7.5074  306.500   12.554 8.117767 14.62774 
1 1 1   -5   55   10 o  108.703   10.790   41.536   8.0108   26.044   10.263   65.692   12.816   84.479   18.098  136.438   13.759 -51.95964 22.73446 
1 1 1   -5   55   11 o  117.110   9.9147   48.075   7.9607   44.693   10.083   53.673   12.971  112.307   13.225  122.700   15.629 -10.39309 20.47391 
1 1 1   -5   55   12 o  154.891   7.8336   83.588   8.3705   83.042   10.687   84.455   13.464  154.042   10.080  154.858   12.673 -0.8155212 16.19246 
1 1 1   -5   55   13 o  208.026   9.6602  150.908   13.908   0.0000   0.0000  150.908   13.908  ?   ?   208.026   9.6602 0.000000 9.660169 
1 1 1   -5   57    1 o  157.010   9.7021   85.860   10.492   85.415   17.431   86.114   13.138  155.672   16.426  156.953   12.190 -1.280930 20.45515 
1 1 1   -5   57    2 f  175.932   7.5337  107.287   9.1735  115.673   12.527   97.589   13.471  182.297   9.9662  167.194   11.715 15.10339 15.38105 
1 1 1   -5   57    3 o  330.210   6.3333  377.791   14.474  374.387   17.391  385.463   26.109  328.628   7.6463  333.105   11.325 -4.477051 13.66442 
1 1 1   -5   57    4 o  527.593   6.2537  964.465   22.836  1000.47   28.432  899.024   38.330  537.185   7.6474  508.736   10.886 28.44949 13.30366 
1 1 1   -5   57    5 o  288.265   5.7811  287.891   11.534  294.594   15.852  280.351   16.813  291.460   7.8585  284.272   8.5454 7.187897 11.60943 
1 1 1   -5   57    6 o  390.538   5.3318  528.366   14.412  548.680   20.147  507.082   20.623  397.787   7.3180  382.359   7.7930 15.42743 10.69034 
1 1 1   -5   57    7 o  265.822   7.0094  245.026   12.896  257.756   22.406  238.720   15.770  272.120   11.897  262.236   8.6887 9.884186 14.73166 
1 1 1   -5   57    8 o  228.350   6.4756  180.797   10.234  173.902   13.692  189.525   15.406  223.766   8.8409  233.533   9.5315 -9.766663 13.00046 
1 1 1   -5   57    9 o  302.408   5.5947  316.988   11.710  339.930   16.099  291.216   17.063  312.964   7.4323  289.542   8.5148 23.42194 11.30225 
1 1 1   -5   57   11 o  185.926   7.2201  120.051   9.2910  122.057   12.156  117.234   14.407  187.008   9.4225  182.896   11.439 4.111893 14.82014 
1 1 1   -5   57   12 o  170.165   7.9236  100.705   9.3319  114.878   13.251   86.757   13.145  181.085   10.619  156.953   12.196 24.13205 16.17131 
1 1 1   -5   57   13 o  152.925   7.6332   81.382   8.0791   80.387   10.415   82.884   12.803  151.367   9.9974  153.214   12.173 -1.846558 15.75251 
1 1 1   -5   59    1 o   80.721   17.509   23.647   9.5005   41.571   15.899   13.694   11.848  106.805   22.232   64.837   22.067 41.96825 31.32388 
1 1 1   -5   59    2 o  116.459   10.818   47.525   8.6197   68.412   12.048   25.623   12.337  139.662   12.600   83.801   21.243 55.86139 24.69848 
1 1 1   -5   59    3 o  177.460   9.0045  109.575   11.023  131.707   18.394   97.172   13.770  193.949   13.793  166.715   12.014 27.23471 18.29177 
1 1 1   -5   59    4 o  300.877   6.5801  313.788   13.703  316.289   16.337  307.854   25.165  301.973   7.8166  297.424   12.225 4.548859 14.51037 
1 1 1   -5   59    5 o   74.816   16.206   20.319   8.1490   18.466   10.827   22.741   12.378   71.638   20.683   79.094   21.875 -7.456169 30.10465 
1 1 1   -5   59    6 o  192.861   8.1191  129.091   10.837  118.439   16.614  136.980   14.299  183.845   13.143  198.207   10.460 -14.36151 16.79773 
1 1 1   -5   59    7 o  190.676   7.2395  126.135   9.5539  123.224   12.895  129.676   14.225  187.993   9.9461  192.753   10.705 -4.759476 14.61252 
1 1 1   -5   59    8 o  239.949   6.2286  199.659   10.344  199.423   13.820  199.960   15.598  239.611   8.3336  239.812   9.3974 -0.2015686 12.56027 
1 1 1   -5   59    9 o  246.459   6.9368  210.810   11.833  216.142   14.307  199.268   21.049  249.403   8.2885  238.459   12.801 10.94388 15.25002 
1 1 1   -5   59   10 o  143.482   8.8581   71.891   8.7535   72.360   11.257   71.174   13.922  143.524   11.427  141.720   14.393 1.803787 18.37791 
1 1 1   -5   59   11 o   42.241   16.876   3.2745   7.4541  -1.6758   9.3641   11.837   12.316   40.429   17.666   62.004   22.389 -21.57447 28.51964 
1 1 1   -5   59   12 o   42.359   16.683   3.7702   7.1875   2.3550   8.9592   6.3260   12.040   44.030   18.161   54.367   21.534 -10.33672 28.17013 
1 1 1   -5   61    1 o  168.876   7.8953   98.938   9.2282  101.590   12.718   95.988   13.411  170.600   10.827  165.678   11.772 4.921936 15.99397 
1 1 1   -5   61    2 o  357.604   5.4889  443.083   13.585  432.309   18.822  454.799   19.628  353.020   7.7035  362.072   7.8325 -9.051666 10.98600 
1 1 1   -5   61    3 o  241.903   8.6290  203.140   14.447  203.140   14.447   0.0000   0.0000  241.903   8.6290  ?   ?  0.000000 8.628964 
1 1 1   -5   61    4 o  240.114   6.2900  199.869   10.453  215.208   14.361  182.584   15.245  248.992   8.3333  229.228   9.6089 19.76398 12.71910 
1 1 1   -5   61    5 f  202.639   6.8924  142.420   9.6666  145.044   13.162  139.347   14.244  204.308   9.3077  199.898   10.331 4.410202 13.90522 
1 1 1   -5   61    6 o  100.600   12.291   35.806   8.3798   36.141   11.454   35.420   12.292  100.096   17.150   98.741   18.671 1.354500 25.35210 
1 1 1   -5   61    7 o  199.685   7.1395  138.381   9.8671  146.524   13.414  128.779   14.566  205.258   9.4422  191.947   11.010 13.31015 14.50432 
1 1 1   -5   61    8 o  234.479   7.7333  190.966   12.550  205.122   21.577  183.729   15.428  241.880   12.936  229.750   9.7026 12.13048 16.17010 
1 1 1   -5   61    9 o  154.187   8.4518   82.919   8.9849   87.479   12.094   77.303   13.423  157.937   11.135  147.998   13.244 9.939011 17.30334 
1 1 1   -5   61   10 o  178.309   7.5122  110.513   9.2708  103.670   12.187  119.913   14.283  172.070   10.280  184.909   11.213 -12.83844 15.21259 
1 1 1   -5   61   11 o   90.816   15.828   29.984   9.5871   24.385   11.423   43.327   17.634   80.879   20.406  107.071   24.347 -26.19173 31.76782 
1 1 1   -5   63    1 o  221.676   6.6085  170.402   10.139  179.864   14.049  160.116   14.648  227.556   8.9202  214.612   9.8613 12.94395 13.29720 
1 1 1   -5   63    2 o  195.634   10.069  133.436   13.587  132.878   18.775  134.049   19.688  194.545   14.038  195.275   14.674 -0.7298431 20.30797 
1 1 1   -5   63    3 o  165.699   7.9249   95.310   9.0885  108.851   12.516   80.204   13.219  176.597   10.284  151.104   12.760 25.49278 16.38827 
1 1 1   -5   63    4 o  205.091   6.7616  145.906   9.5978  160.993   13.293  129.472   13.873  215.244   8.9228  192.601   10.446 22.64328 13.73823 
1 1 1   -5   63    5 o   70.740   18.432   18.290   9.1150   12.093   10.673   34.990   17.521   60.927   20.940   97.062   25.683 -36.13545 33.13729 
1 1 1   -5   63    6 o  182.147   7.5471  115.202   9.5143  115.438   12.890  114.920   14.102  181.785   10.288  181.201   11.301 0.5842590 15.28195 
1 1 1   -5   63    7 o  230.928   6.5866  185.062   10.527  201.112   14.592  167.640   15.203  240.475   8.7672  219.388   10.012 21.08704 13.30822 
1 1 1   -5   63    8 o  248.724   7.0392  214.839   12.118  220.619   14.610  202.098   21.691  251.863   8.3813  239.851   13.116 12.01180 15.56530 
1 1 1   -5   63    9 o  103.810   14.838   38.673   10.357   34.917   18.782   40.315   12.416   96.198   27.069  105.301   17.661 -9.102829 32.32119 
1 1 1   -5   63   10 o  129.156   10.782   58.740   9.5497   51.561   14.006   64.977   13.055  119.233   17.492  135.077   14.176 -15.84422 22.51487 
1 1 1   -5   65    1 o   33.308   15.685 -10.0770   9.3313 -18.5658   14.712  -4.3637   12.070   40.226   19.161   44.030   19.610 -3.803810 27.41738 
1 1 1   -5   65    2 o  295.167   5.8020  302.066   11.853  308.125   16.339  295.336   17.220  297.870   7.9255  291.541   8.5342 6.328644 11.64673 
1 1 1   -5   65    4 o   48.321   18.786   5.2701   9.0176 -10.9073   13.819   17.266   11.900   42.787   19.791   69.902   22.027 -27.11499 29.61231 
1 1 1   -5   65    5 o  188.088   7.4271  122.857   9.6684  129.529   13.149  115.004   14.266  192.615   9.8967  181.189   11.435 11.42607 15.12264 
1 1 1   -5   65    6 o   99.967   14.444   35.770   9.7041   35.416   11.500   36.644   18.086   98.756   17.463   98.834   26.065 -0.7769775E-01 31.37487 
1 1 1   -5   65    7 o   97.010   14.610   33.788   9.5053   25.889   11.464   51.171   17.005   83.621   20.064  117.865   21.643 -34.24383 29.51226 
1 1 1   -5   65    8 o  188.591   7.3138  123.632   9.5464  110.171   12.973  139.530   14.098  177.281   10.622  199.668   10.236 -22.38670 14.75166 
1 1 1   -5   67    1 o  160.665   11.749   90.586   12.975   90.586   12.975   0.0000   0.0000  160.665   11.749  ?   ?  0.000000 11.74946 
1 1 1   -5   67    2 o  182.093   7.6440  115.183   9.6337  117.965   13.206  112.019   14.085  183.689   10.430  178.798   11.442 4.890961 15.48244 
1 1 1   -5   67    3 f  111.099   11.605   43.557   8.7916   34.096   12.390   53.151   12.477   96.464   19.232  122.118   15.083 -25.65420 24.44132 
1 1 1   -5   67    4 o  147.460   10.408   76.190   10.554   78.341   18.089   75.080   12.995  147.750   18.065  145.870   13.008 1.880341 22.26131 
1 1 1   -5   67    5 o  155.029   8.4829   83.866   9.0675  100.273   12.737   67.005   12.912  169.122   10.940  137.521   13.750 31.60052 17.57100 
1 1 1   -5   67    6 o  135.606   9.4730   64.405   8.8350   71.379   12.101   56.444   12.929  142.210   12.419  125.687   15.170 16.52313 19.60519 
1 1 1   -5   69    1 o   52.462   19.842   7.2722   9.8719   8.8690   12.069   4.0444   17.160   57.794   21.919   60.008   24.974 -2.214020 33.22905 
1 1 1   -5   69    2 o   67.762   17.870   16.863   8.5010   13.010   12.027   20.710   12.018   63.363   22.202   75.140   21.819 -11.77642 31.12893 
1 1 1   -5   69    4 o  107.834   11.845   41.185   8.6944   62.039   12.322   20.510   12.269  132.189   13.666   74.771   22.141 57.41785 26.01909 
1 1 1   -5   69    5 o  164.379   8.3070   94.323   9.4201  108.416   12.970   78.590   13.704  175.778   10.712  148.916   13.441 26.86179 17.18773 
1 1 1   -5   71    1 o  181.528   7.8669  114.677   9.8838  121.876   13.979  107.481   13.976  186.354   10.886  174.792   11.619 11.56235 15.92192 
1 1 1   -4    0    1 o  403.863   5.6845  564.782   15.882  564.782   15.882  564.782   15.882  403.863   5.6845  403.863   5.6845 0.000000 0.000000 
1 1 1   -4    0    2 o  652.050   7.3923  1471.94   33.351  1471.94   33.351  1471.94   33.351  652.050   7.3923  652.050   7.3923 0.000000 0.000000 
1 1 1   -4    0    3 o  180.701   5.7694  113.344   7.1989  113.344   7.1989  113.344   7.1989  180.701   5.7694  180.701   5.7694 0.000000 0.000000 
1 1 1   -4    0    5 o  508.055   6.5727  893.725   23.103  893.725   23.103  893.725   23.103  508.055   6.5727  508.055   6.5727 0.000000 0.000000 
1 1 1   -4    0    6 o  1205.06   12.002  5027.83  100.081  5027.83  100.081  5027.83  100.081  1205.06   12.002  1205.06   12.002 0.000000 0.000000 
1 1 1   -4    0    7 o  336.268   8.8099  392.195   20.472  392.195   20.472  392.195   20.472  336.268   8.8099  336.268   8.8099 0.000000 0.000000 
1 1 1   -4    0    8 f  589.680   7.2436  1204.15   29.553  1204.15   29.553  1204.15   29.553  589.680   7.2436  589.680   7.2436 0.000000 0.000000 
1 1 1   -4    0    9 f  194.673   7.4013  131.742   9.9394  131.742   9.9394  131.742   9.9394  194.673   7.4013  194.673   7.4013 0.000000 0.000000 
1 1 1   -4    0   10 o  1344.52   13.293  6260.97  123.674  6260.97  123.674  6260.97  123.674  1344.52   13.293  1344.52   13.293 0.000000 0.000000 
1 1 1   -4    0   11 o  628.039   7.6834  1365.80   33.386  1365.80   33.386  1365.80   33.386  628.039   7.6834  628.039   7.6834 0.000000 0.000000 
1 1 1   -4    0   12 o  813.516   9.0041  2291.69   50.683  2291.69   50.683  2291.69   50.683  813.516   9.0041  813.516   9.0041 0.000000 0.000000 
1 1 1   -4    0   13 o  540.510   10.444  1012.68   39.039  1012.68   39.039  1012.68   39.039  540.510   10.444  540.510   10.444 0.000000 0.000000 
1 1 1   -4    0   14 o  854.334   9.4075  2528.40   55.611  2528.40   55.611  2528.40   55.611  854.334   9.4075  854.334   9.4075 0.000000 0.000000 
1 1 1   -4    0   15 o  349.223   7.3027  422.859   17.633  422.859   17.633  422.859   17.633  349.223   7.3027  349.223   7.3027 0.000000 0.000000 
1 1 1   -4    0   16 o  281.833   7.6372  275.824   14.872  275.824   14.872  275.824   14.872  281.833   7.6372  281.833   7.6372 0.000000 0.000000 
1 1 1   -4    0   17 o   65.352   24.788   20.305   10.528   20.305   10.528   20.305   10.528   65.352   24.788   65.352   24.788 0.000000 0.000000 
1 1 1   -4    0   18 o  263.231   8.0184  241.364   14.578  241.364   14.578  241.364   14.578  263.231   8.0184  263.231   8.0184 0.000000 0.000000 
1 1 1   -4    0   19 o   23.228   16.805 -26.6293   14.239 -26.6293   14.239 -26.6293   14.239   23.228   16.805   23.228   16.805 0.000000 0.000000 
1 1 1   -4    0   20 o   60.039   26.059   19.133   11.195   19.133   11.195   19.133   11.195   60.039   26.059   60.039   26.059 0.000000 0.000000 
1 1 1   -4    0   21 f  135.005   12.715   66.887   11.638   66.887   11.638   66.887   11.638  135.005   12.715  135.005   12.715 0.000000 0.000000 
1 1 1   -4    0   22 o   25.060   17.439  -7.0236   10.787  -7.0236   10.787  -7.0236   10.787   25.060   17.439   25.060   17.439 0.000000 0.000000 
1 1 1   -4    2    1 o  2758.19   18.310 26337.55  349.525 26048.78  488.150 26641.35  500.694  2742.47   25.718  2773.46   26.084 -30.98584 36.63029 
1 1 1   -4    2    2 o  2673.52   17.769 24745.06  328.797 24793.07  466.034 24697.47  463.953  2675.57   25.167  2670.41   25.103 5.158203 35.54569 
1 1 1   -4    2    3 o  586.029   5.6835  1188.51   23.052  1163.42   39.181  1201.80   28.508  579.784   9.7641  589.289   6.9899 -9.505310 12.00812 
1 1 1   -4    2    4 o  2745.50   21.070 26102.01  400.365 26087.22  489.999 26131.71  694.435  2744.28   25.798  2745.27   36.549 -0.9885254 44.73638 
1 1 1   -4    2    5 o  1402.82   9.6951  6811.20   94.131  6735.16  107.386  7063.42  195.581  1394.93   11.123  1428.19   19.786 -33.25403 22.69833 
1 1 1   -4    2    6 o  1522.09   12.058  8020.14  127.024  7995.12  219.230  8032.78  155.851  1519.17   20.851  1523.15   14.784 -3.980957 25.55994 
1 1 1   -4    2    7 o  584.924   5.8415  1184.17   23.649  1183.82   28.952  1184.88   40.991  584.813   7.1531  585.003   10.124 -0.1895752 12.39614 
1 1 1   -4    2    8 o  573.923   5.0524  1140.08   20.069  1145.14   28.433  1135.06   28.331  575.142   7.1429  572.604   7.1487 2.537842 10.10565 
1 1 1   -4    2    9 f  1254.83   8.8363  5451.36   76.742  5465.46  108.876  5437.45  108.186  1256.17   12.523  1252.95   12.476 3.219482 17.67658 
1 1 1   -4    2   10 o  321.224   5.3143  357.121   11.815  372.224   14.687  329.415   19.891  327.937   6.4707  308.474   9.3169 19.46338 11.34345 
1 1 1   -4    2   11 o  1206.29   9.8923  5037.36   82.590  5053.66  143.469  5029.28  101.005  1207.82   17.162  1205.22   12.109 2.599731 21.00405 
1 1 1   -4    2   12 o  629.067   5.4758  1369.59   23.841  1372.40   33.773  1366.81   33.658  629.674   7.7497  628.389   7.7391 1.284302 10.95218 
1 1 1   -4    2   13 o  549.218   5.2223  1044.00   19.851  1023.79   27.683  1065.38   28.481  543.839   7.3548  554.773   7.4175 -10.93396 10.44564 
1 1 1   -4    2   14 o  619.403   5.5784  1327.98   23.914  1352.82   34.263  1304.38   33.394  625.099   7.9196  613.809   7.8605 11.29034 11.15835 
1 1 1   -4    2   15 o  461.095   5.1235  735.943   16.351  749.885   23.388  722.615   22.868  465.379   7.2611  456.840   7.2324 8.539307 10.24847 
1 1 1   -4    2   16 o  155.609   8.7607   84.167   9.3968   84.128   11.548   84.244   16.166  155.394   10.805  154.985   15.269 0.4097595 18.70509 
1 1 1   -4    2   17 o  241.918   6.7081  202.755   11.232  195.024   19.350  206.683   13.793  236.984   11.797  244.185   8.1614 -7.200974 14.34525 
1 1 1   -4    2   18 o  173.272   7.0754  104.078   8.4851  107.432   12.009  100.734   11.991  175.617   9.9206  169.999   10.239 5.618088 14.25674 
1 1 1   -4    2   19 o  144.328   8.2503   72.550   8.2071   67.995   11.824   76.784   11.401  139.130   12.410  148.106   11.205 -8.975693 16.71966 
1 1 1   -4    2   20 o  184.044   7.0183  117.578   8.9399  108.109   12.533  127.385   12.756  175.865   10.342  191.062   9.6777 -15.19701 14.16411 
1 1 1   -4    2   21 o  142.583   8.4601   71.008   8.3113   70.269   11.815   71.733   11.694  141.130   12.216  142.661   11.954 -1.530243 17.09172 
1 1 1   -4    2   22 f   75.417   21.110   21.284   11.455   0.0000   0.0000   21.284   11.455  ?   ?    75.417   21.110 0.000000 21.11048 
1 1 1   -4    4    1 o  877.811   6.4680  2666.69   39.296  2702.30   56.270  2632.78   54.901  883.630   9.2009  872.191   9.0947 11.43939 12.93718 
1 1 1   -4    4    2 o  1516.67   10.368  7961.41  108.837  7843.90  213.917  8002.45  126.423  1505.13   20.535  1520.54   12.013 -15.40747 23.79065 
1 1 1   -4    4    3 o  2048.55   13.755 14526.19  195.025 14369.93  272.535 14690.19  279.200  2037.24   19.329  2059.81   19.585 -22.56201 27.51635 
1 1 1   -4    4    4 o  1061.79   7.6015  3901.74   55.862  3817.76   77.276  3993.66   80.845  1050.25   10.631  1074.17   10.874 -23.91833 15.20754 
1 1 1   -4    4    5 o  1705.98   11.599 10073.99  136.949 10204.36  160.314  9721.95  263.434  1716.91   13.491  1675.33   22.719 41.57813 26.42290 
1 1 1   -4    4    6 o  310.263   4.8553  333.144   10.426  339.698   12.897  320.780   17.714  313.295   5.9477  304.432   8.4071 8.862427 10.29826 
1 1 1   -4    4    7 o  460.284   5.2581  733.262   16.751  738.010   20.565  723.903   28.874  461.756   6.4347  457.274   9.1235 4.482300 11.16439 
1 1 1   -4    4    8 o  946.432   8.0885  3101.23   52.983  3048.92   63.711  3218.54   95.403  938.309   9.8106  963.675   14.304 -25.36530 17.34499 
1 1 1   -4    4    9 o  611.674   6.0804  1295.02   25.741  1300.28   31.728  1284.88   44.032  612.884   7.4797  609.153   10.444 3.730408 12.84604 
1 1 1   -4    4   10 o  835.865   6.4162  2418.21   37.118  2434.30   52.846  2402.54   52.147  838.569   9.1054  833.083   9.0441 5.486267 12.83373 
1 1 1   -4    4   11 o  344.845   4.6295  411.554   11.049  407.919   15.675  415.143   15.577  343.305   6.5973  346.332   6.4985 -3.026978 9.260374 
1 1 1   -4    4   12 o  576.974   6.0602  1152.19   24.200  1182.93   42.645  1137.59   29.391  584.534   10.541  573.286   7.4074 11.24744 12.88340 
1 1 1   -4    4   13 o  845.582   6.5641  2474.91   38.416  2504.81   54.970  2446.36   53.708  850.574   9.3376  840.596   9.2316 9.977905 13.13060 
1 1 1   -4    4   14 o  1002.73   8.6296  3481.35   59.890  3504.31   73.665  3436.58  102.856  1005.90   10.581  995.729   14.925 10.16583 18.29519 
1 1 1   -4    4   15 o  976.074   7.3182  3298.79   49.439  3351.71   70.922  3248.77   68.953  983.591   10.418  968.382   10.288 15.20874 14.64170 
1 1 1   -4    4   16 o  455.495   5.1217  718.301   16.146  726.339   22.964  710.442   22.707  457.935   7.2454  452.896   7.2442 5.039063 10.24570 
1 1 1   -4    4   17 o  379.675   5.1147  499.180   13.440  499.248   19.081  499.112   18.935  379.573   7.2633  379.526   7.2084 0.4766846E-01 10.23312 
1 1 1   -4    4   18 o   63.964   19.977   14.253   9.8121   0.0000   0.0000   14.253   9.8121  ?   ?    63.964   19.977 0.000000 19.97662 
1 1 1   -4    4   19 o  329.127   5.3802  375.377   12.256  375.672   17.252  375.077   17.413  329.034   7.5757  328.765   7.6528 0.2698669 10.76831 
1 1 1   -4    4   20 o  102.148   13.204   37.089   9.1162   33.611   10.906   45.156   16.608   96.334   16.977  110.635   22.457 -14.30061 28.15236 
1 1 1   -4    4   21 o   82.284   19.282   25.071   10.789   36.785   15.521   14.117   15.008   99.090   23.063   67.708   24.675 31.38241 33.77538 
1 1 1   -4    4   22 o   86.171   14.348   26.944   8.2565   28.199   11.786   25.735   11.570   86.708   20.041   82.751   20.345 3.956955 28.55741 
1 1 1   -4    6    1 o  3176.06   21.024 34927.66  462.150 34765.86  919.125 34982.41  534.651  3166.04   41.945  3178.25   24.306 -12.20947 48.47836 
1 1 1   -4    6    2 o  1174.18   9.5220  4771.66   77.382  4709.06   93.549  4907.32  137.708  1166.42   11.588  1190.61   16.711 -24.18701 20.33596 
1 1 1   -4    6    4 o  2969.13   19.695 30525.62  404.734 30145.65  564.237 30928.33  580.888  2949.74   27.638  2987.73   28.091 -37.98877 39.40775 
1 1 1   -4    6    5 o  711.373   8.0048  1751.44   39.412  1982.44   61.205  1587.81   51.513  756.781   11.685  677.291   10.989 79.48999 16.04078 
1 1 1   -4    6    6 o  1156.51   8.1972  4629.45   65.613  4631.78   75.751  4622.44  131.294  1156.77   9.4616  1155.31   16.420 1.461426 18.95090 
1 1 1   -4    6    7 o  816.505   7.2149  2307.74   40.772  2291.47   49.531  2341.95   71.809  813.564   8.7964  822.293   12.617 -8.728943 15.38108 
1 1 1   -4    6    8 o  1118.22   8.0108  4329.18   61.998  4337.39   71.705  4304.88  123.398  1119.19   9.2570  1114.30   16.000 4.893433 18.48523 
1 1 1   -4    6    9 o  142.451   6.2493   70.238   6.1614   72.256   8.5119   68.017   8.9301  144.215   8.5663  139.856   9.2783 4.359314 12.62807 
1 1 1   -4    6   10 o  982.108   7.2373  3338.55   49.194  3324.16   69.360  3353.12   69.783  979.885   10.227  984.143   10.245 -4.258118 14.47610 
1 1 1   -4    6   11 o  521.204   5.0354  940.160   18.164  948.677   26.137  932.204   25.262  523.535   7.2134  518.972   7.0330 4.562805 10.07450 
1 1 1   -4    6   12 o  976.174   8.3710  3298.56   56.556  3363.90  100.209  3268.02   68.511  985.504   14.692  971.578   10.188 13.92676 17.87871 
1 1 1   -4    6   13 o  1095.55   7.9563  4154.88   60.328  4243.91   87.122  4072.87   83.620  1107.02   11.371  1084.50   11.140 22.52148 15.91878 
1 1 1   -4    6   14 o  506.073   5.1542  886.459   18.053  899.309   25.764  874.063   25.305  509.678   7.3036  502.473   7.2763 7.204315 10.30956 
1 1 1   -4    6   15 o  300.740   6.2710  313.120   13.053  306.046   15.536  330.098   24.068  297.295   7.5504  308.641   11.267 -11.34589 13.56310 
1 1 1   -4    6   16 o  415.281   5.0895  597.072   14.628  610.255   20.900  584.413   20.481  419.747   7.1943  410.763   7.2042 8.984131 10.18130 
1 1 1   -4    6   17 o  193.216   7.4575  129.376   9.9728  121.219   17.488  133.308   12.140  186.220   13.664  196.068   8.9464 -9.848465 16.33204 
1 1 1   -4    6   18 o   44.602   18.748   0.9688   9.8158   0.0000   0.0000   0.9688   9.8158  ?   ?    44.602   18.748 0.000000 18.74838 
1 1 1   -4    6   19 o  177.271   6.9263  108.999   8.4980  101.072   12.059  116.819   11.977  170.161   10.288  183.094   9.4842 -12.93230 13.99240 
1 1 1   -4    6   20 o  235.572   5.8447  192.458   9.5294  182.533   13.398  202.621   13.557  229.147   8.4478  241.469   8.1119 -12.32233 11.71182 
1 1 1   -4    6   21 o  282.390   6.6702  276.983   13.037  292.847   15.773  242.781   23.160  290.158   7.8542  263.104   12.718 27.05353 14.94812 
1 1 1   -4    8    1 o  943.584   6.8635  3081.31   44.823  3030.36   62.373  3135.73   64.458  935.722   9.6310  951.849   9.7843 -16.12726 13.72913 
1 1 1   -4    8    2 o  926.201   6.7709  2968.82   43.404  3019.99   62.356  2920.74   60.453  934.118   9.6450  918.642   9.5081 15.47626 13.54362 
1 1 1   -4    8    3 o  2132.71   14.297 15744.83  211.032 15615.95  295.753 15878.51  301.212  2123.66   20.122  2141.42   20.323 -17.76611 28.59936 
1 1 1   -4    8    4 o  1671.08   11.364  9665.66  131.428  9540.64  183.249  9798.10  188.602  1660.07   15.949  1682.31   16.198 -22.23914 22.73227 
1 1 1   -4    8    5 o  1176.50   9.5998  4790.83   78.168  4762.40   95.053  4850.24  137.387  1172.95   11.709  1183.54   16.772 -10.59473 20.45475 
1 1 1   -4    8    6 o  1433.13   9.9059  7109.75   98.255  7055.12  137.750  7166.32  140.190  1427.39   13.943  1438.59   14.080 -11.19641 19.81585 
1 1 1   -4    8    7 o  224.571   5.1873  174.552   8.0626  174.834   9.7734  173.951   14.265  224.743   6.2832  224.145   9.1954 0.5984802 11.13702 
1 1 1   -4    8    8 o  407.516   6.3075  574.855   17.790  574.855   17.790   0.0000   0.0000  407.516   6.3075  ?   ?  0.000000 6.307538 
1 1 1   -4    8    9 o  968.753   8.2704  3248.81   55.452  3292.35   68.615  3166.83   94.153  975.136   10.167  956.127   14.228 19.00922 17.48697 
1 1 1   -4    8   10 f  1149.34   9.4990  4573.01   75.562  4542.96   91.809  4636.10  133.035  1145.46   11.580  1156.82   16.616 -11.35828 20.25319 
1 1 1   -4    8   11 o  638.785   5.4787  1412.22   24.222  1438.42   34.918  1387.92   33.627  644.648   7.8263  633.233   7.6728 11.41418 10.96005 
1 1 1   -4    8   12 o  334.319   4.7624  386.822   11.019  396.128   15.940  378.302   15.251  338.300   6.8076  330.602   6.6653 7.698090 9.527312 
1 1 1   -4    8   13 o  851.916   7.6394  2512.37   45.044  2602.93   81.096  2471.97   54.168  866.829   13.517  844.973   9.2624 21.85583 16.38616 
1 1 1   -4    8   14 o  443.128   5.7754  679.696   17.713  679.276   21.912  680.488   30.088  442.961   7.1473  443.280   9.8070 -0.3191528 12.13516 
1 1 1   -4    8   15 o  203.493   6.4071  143.365   9.0237  135.553   12.647  151.466   12.879  197.822   9.2374  209.119   8.8982 -11.29655 12.82606 
1 1 1   -4    8   16 o  629.451   5.6245  1371.89   24.503  1390.62   34.998  1353.88   34.318  633.552   7.9815  625.131   7.9318 8.421204 11.25245 
1 1 1   -4    8   17 o  229.320   5.9015  182.150   9.3665  184.838   13.399  179.582   13.098  230.898   8.3847  227.595   8.3153 3.302689 11.80874 
1 1 1   -4    8   18 o  171.449   8.2338  101.975   9.7704  100.830   11.860  104.390   17.235  170.080   10.121  172.414   14.579 -2.334091 17.74825 
1 1 1   -4    8   19 o   85.620   14.959   26.371   8.5419   46.137   15.170   17.195   10.336  112.736   20.184   69.160   20.279 43.57649 28.61128 
1 1 1   -4    8   20 o  170.807   8.1599  101.397   9.6465  101.885   12.075  100.537   16.037  170.702   10.269  168.858   13.844 1.844070 17.23648 
1 1 1   -4    8   21 o  273.958   8.0758  261.159   15.313  261.159   15.313   0.0000   0.0000  273.958   8.0758  ?   ?  0.000000 8.075812 
1 1 1   -4   10    1 o  1276.87   10.258  5642.88   90.650  5677.91  111.792  5575.61  154.903  1280.78   12.611  1269.06   17.636 11.72180 21.68128 
1 1 1   -4   10    2 o  2054.24   13.794 14607.22  196.121 14402.01  272.942 14826.28  281.994  2039.50   19.336  2069.30   19.690 -29.80249 27.59658 
1 1 1   -4   10    3 o  2690.97   17.897 25071.21  333.315 24788.49  465.315 25369.16  477.686  2675.12   25.132  2706.24   25.503 -31.11255 35.80561 
1 1 1   -4   10    4 o  1698.69   13.322  9988.72  156.620 10165.85  275.991  9904.58  190.214  1713.14   23.277  1691.39   16.249 21.74670 28.38732 
1 1 1   -4   10    5 o  958.801   8.1159  3181.78   53.857  3135.43   64.891  3284.39   96.550  951.758   9.8510  973.984   14.323 -22.22589 17.38332 
1 1 1   -4   10    6 o  1664.08   13.107  9589.28  150.953  9489.31  182.628  9804.88  268.194  1655.12   15.943  1681.52   23.045 -26.39380 28.02191 
1 1 1   -4   10    7 o  442.585   5.2587  677.985   16.108  648.648   19.101  750.244   29.977  432.885   6.3753  465.482   9.3048 -32.59695 11.27930 
1 1 1   -4   10    8 o  926.563   7.9658  2972.22   51.084  3023.62   63.399  2877.07   86.253  934.439   9.8029  911.237   13.676 23.20197 16.82664 
1 1 1   -4   10    9 o  1645.94   11.261  9380.79  128.283  9475.86  149.630  9117.07  249.212  1654.08   13.070  1621.22   22.210 32.86926 25.77054 
1 1 1   -4   10   10 o  420.677   5.4600  612.481   15.897  612.386   19.261  612.683   28.155  420.633   6.6161  420.695   9.6697 -0.6192017E-01 11.71648 
1 1 1   -4   10   11 o  1053.74   8.8890  3843.61   64.828  3909.91   80.580  3721.95  109.153  1062.71   10.956  1036.65   15.213 26.06458 18.74755 
1 1 1   -4   10   12 o  224.044   5.7749  173.732   8.9548  170.605   10.380  182.829   17.707  222.013   6.7553  229.791   11.133 -7.777176 13.02252 
1 1 1   -4   10   13 o  840.673   6.5701  2446.31   38.228  2448.80   54.249  2443.85   53.877  840.994   9.3201  840.145   9.2656 0.8487549 13.14214 
1 1 1   -4   10   14 o  298.631   5.2037  308.681   10.755  318.815   15.612  299.526   14.839  303.460   7.4332  294.139   7.2889 9.320923 10.41060 
1 1 1   -4   10   15 o  271.056   5.4770  254.341   10.275  273.524   14.844  236.695   14.237  281.045   7.6314  261.435   7.8682 19.61020 10.96112 
1 1 1   -4   10   16 f  649.783   8.0769  1462.90   36.324  1499.51   51.560  1426.83   51.181  657.474   11.331  641.314   11.531 16.15955 16.16613 
1 1 1   -4   10   17 o  247.007   6.5079  211.381   11.126  184.439   20.128  223.234   13.351  230.012   12.693  253.784   7.6008 -23.77272 14.79452 
1 1 1   -4   10   18 o  307.496   5.2300  327.544   11.131  345.828   16.088  310.759   15.415  315.803   7.3607  299.356   7.4402 16.44656 10.46594 
1 1 1   -4   10   19 o  115.461   9.7325   46.678   7.7050   53.344   11.021   40.303   10.776  122.942   13.156  106.298   15.070 16.64430 20.00445 
1 1 1   -4   10   20 o  328.546   5.2796  374.230   12.005  357.765   16.676  391.948   17.298  320.936   7.5073  335.929   7.4398 -14.99335 10.56934 
1 1 1   -4   10   21 o  131.930   9.0350   60.936   8.2002   54.372   11.569   67.564   11.625  123.614   13.755  138.307   12.272 -14.69337 18.43377 
1 1 1   -4   12    1 o  789.974   6.9401  2159.75   37.945  2149.47   46.231  2180.98   66.426  788.078   8.4759  793.792   12.091 -5.713074 14.76578 
1 1 1   -4   12    2 o  715.865   7.9299  1773.58   39.290  1773.58   39.290   0.0000   0.0000  715.865   7.9299  ?   ?  0.000000 7.929913 
1 1 1   -4   12    3 o  1847.70   14.401 11818.42  184.165 11756.10  316.803 11850.23  226.339  1842.21   24.847  1850.03   17.677 -7.822876 30.49331 
1 1 1   -4   12    5 o  699.770   7.9054  1694.85   38.287  1694.85   38.287   0.0000   0.0000  699.770   7.9054  ?   ?  0.000000 7.905413 
1 1 1   -4   12    6 o  703.782   11.413  1715.12   55.592   0.0000   0.0000  1715.12   55.592  ?   ?   703.782   11.413 0.000000 11.41289 
1 1 1   -4   12    7 o  439.687   5.2731  669.145   16.047  681.736   19.776  644.878   27.456  443.782   6.4387  431.552   9.1923 12.22980 11.22296 
1 1 1   -4   12    8 o  973.879   7.1614  3283.16   48.270  3316.73   56.166  3188.29   94.415  978.793   8.2909  959.265   14.221 19.52814 16.46120 
1 1 1   -4   12    9 o  729.879   5.8733  1843.81   29.670  1854.11   34.292  1813.17   59.171  731.895   6.7697  723.616   11.815 8.278381 13.61677 
1 1 1   -4   12   10 o  1056.21   8.8751  3861.63   64.878  3841.40   78.888  3903.90  114.044  1053.36   10.821  1061.66   15.521 -8.294312 18.92027 
1 1 1   -4   12   11 o  712.672   11.940  1758.54   58.892   0.0000   0.0000  1758.54   58.892  ?   ?   712.672   11.940 0.000000 11.93957 
1 1 1   -4   12   12 o  1007.06   7.4633  3510.49   52.019  3524.49   60.210  3469.27  103.306  1009.02   8.6216  1000.75   14.915 8.274719 17.22754 
1 1 1   -4   12   13 o  589.309   6.3310  1202.10   25.822  1202.10   25.822   0.0000   0.0000  589.309   6.3310  ?   ?  0.000000 6.331010 
1 1 1   -4   12   14 o  616.140   11.325  1315.12   48.295   0.0000   0.0000  1315.12   48.295  ?   ?   616.140   11.325 0.000000 11.32515 
1 1 1   -4   12   15 o  192.888   7.1755  128.836   9.5794  127.746   11.202  131.805   18.481  192.047   8.4275  194.441   13.823 -2.394318 16.18942 
1 1 1   -4   12   16 o  438.752   5.9965  666.646   18.209  667.013   22.026  665.854   32.365  438.801   7.2526  438.153   10.673 0.6473389 12.90363 
1 1 1   -4   12   17 o  282.820   6.2138  277.104   12.163  277.712   14.568  275.707   22.100  283.063   7.4359  281.748   11.333 1.314911 13.55492 
1 1 1   -4   12   18 f  275.116   5.4056  262.223   10.293  257.504   14.739  266.713   14.380  272.462   7.8162  277.318   7.4920 -4.855499 10.82698 
1 1 1   -4   12   19 o   46.978   19.341   2.5556   10.138   2.5556   10.138   0.0000   0.0000   46.978   19.341  ?   ?  0.000000 19.34087 
1 1 1   -4   12   20 o   45.457   17.996   4.1077   8.4038   7.6049   14.887   2.4721   10.181   60.347   23.932   46.819   19.340 13.52739 30.77004 
1 1 1   -4   12   21 o  201.424   7.4548  141.095   10.393  137.463   17.613  143.034   12.872  197.430   12.962  202.546   9.1823 -5.115799 15.88473 
1 1 1   -4   14    1 o  1622.94   12.771  9117.18  143.448  9043.45  174.077  9273.17  253.208  1616.26   15.562  1636.34   22.358 -20.07385 27.24021 
1 1 1   -4   14    2 o  180.828   8.7528  113.171   10.954   0.0000   0.0000  113.171   10.954  ?   ?   180.828   8.7528 0.000000 8.752754 
1 1 1   -4   14    3 o  830.480   7.2653  2386.97   41.760  2254.15   69.089  2463.43   52.419  806.968   12.370  843.654   8.9774 -36.68640 15.28452 
1 1 1   -4   14    4 o  1269.31   8.8737  5576.50   77.956  5405.81  106.670  5772.17  114.209  1249.63   12.333  1291.26   12.779 -41.63306 17.76023 
1 1 1   -4   14    5 o  648.071   5.3365  1453.57   23.936  1388.92   32.575  1529.45   35.290  633.466   7.4299  664.735   7.6706 -31.26935 10.67905 
1 1 1   -4   14    6 o  1333.37   10.717  6156.63   98.897  6268.18  123.374  5956.10  165.419  1345.15   13.252  1310.63   18.236 34.52246 22.54238 
1 1 1   -4   14    7 o  1162.97   16.639  4689.76  133.925   0.0000   0.0000  4689.76  133.925  ?   ?   1162.97   16.639 0.000000 16.63862 
1 1 1   -4   14    8 o  1165.41   9.6030  4702.44   77.457  4771.98   96.124  4573.66  130.801  1173.84   11.832  1148.78   16.451 25.05994 20.26397 
1 1 1   -4   14    9 o  418.336   9.6156  605.854   27.841   0.0000   0.0000  605.854   27.841  ?   ?   418.336   9.6156 0.000000 9.615643 
1 1 1   -4   14   10 o  483.261   5.6736  808.277   18.977  807.604   22.892  809.756   33.928  483.047   6.8473  483.642   10.136 -0.5952454 12.23188 
1 1 1   -4   14   11 o  1469.18   11.762  7473.50  119.602  7473.50  119.602   0.0000   0.0000  1469.18   11.762  ?   ?  0.000000 11.76208 
1 1 1   -4   14   12 o  957.183   7.1899  3171.37   47.632  3163.91   54.732  3194.63   96.700  956.019   8.2717  960.316   14.549 -4.296570 16.73605 
1 1 1   -4   14   13 o  212.325   7.2547  156.062   10.661  160.123   12.713  146.439   19.570  215.056   8.5412  205.115   13.867 9.940720 16.28610 
1 1 1   -4   14   14 o  721.221   6.0802  1800.63   30.350  1816.26   35.276  1756.10   59.547  724.304   7.0369  711.906   12.085 12.39740 13.98479 
1 1 1   -4   14   15 o  455.211   6.1842  717.459   19.484  711.671   23.952  728.781   33.498  453.310   7.6345  458.562   10.555 -5.252136 13.02629 
1 1 1   -4   14   16 o  276.904   8.1082  265.708   15.539  287.317   21.902  243.805   22.051  287.777   10.996  265.026   12.021 22.75058 16.29213 
1 1 1   -4   14   17 o   72.481   17.017   19.067   8.3903   9.3899   9.8344   44.951   16.084   56.049   20.034  111.360   21.648 -55.31141 29.49591 
1 1 1   -4   14   18 o   90.053   16.035   29.180   9.6275   29.180   9.6275   0.0000   0.0000   90.053   16.035  ?   ?  0.000000 16.03470 
1 1 1   -4   14   19 o  363.966   5.4832  459.161   13.812  473.349   16.294  422.927   26.039  369.443   6.3723  348.507   10.795 20.93524 12.53570 
1 1 1   -4   14   20 o  111.183   12.019   43.698   9.1016   46.793   10.582   34.902   17.841  114.775   13.585   96.501   26.088 18.27431 29.41346 
1 1 1   -4   14   21 o  160.459   10.468   90.367   11.562   82.714   14.410  104.195   19.370  152.686   13.785  170.625   16.613 -17.93950 21.58755 
1 1 1   -4   16    1 o  1049.16   10.652  3809.89   77.351  3809.89   77.351   0.0000   0.0000  1049.16   10.652  ?   ?  0.000000 10.65239 
1 1 1   -4   16    2 o  1618.57   15.631  9070.06  175.107  8678.05  235.357  9556.10  262.068  1582.88   21.483  1660.94   22.797 -78.05798 31.32487 
1 1 1   -4   16    3 o  1417.52   11.311  6955.52  110.974  6856.08  133.713  7175.61  198.935  1407.26   13.728  1439.35   19.970 -32.08789 24.23327 
1 1 1   -4   16    4 o  166.890   4.6700   96.391   5.3942   82.009   7.3642  113.041   7.9235  153.931   6.9123  180.725   6.3346 -26.79350 9.375896 
1 1 1   -4   16    7 o  516.874   5.6401  924.716   20.177  897.496   23.927  991.707   37.537  509.186   6.7896  535.144   10.135 -25.95795 12.19874 
1 1 1   -4   16    8 o  583.794   10.081  1180.00   40.732  1180.00   40.732   0.0000   0.0000  583.794   10.081  ?   ?  0.000000 10.08085 
1 1 1   -4   16    9 o  346.599   5.3821  415.768   12.911  428.333   15.560  388.000   23.132  351.789   6.3908  334.778   9.9833 17.01065 11.85360 
1 1 1   -4   16   10 o  680.138   5.6685  1601.00   26.683  1593.31   30.462  1626.34   55.314  678.492   6.4869  685.376   11.661 -6.884460 13.34379 
1 1 1   -4   16   11 o  426.794   5.6523  630.432   16.696  612.877   19.767  674.146   31.192  420.798   6.7871  441.280   10.213 -20.48239 12.26241 
1 1 1   -4   16   12 o  477.749   5.1059  789.960   16.883  796.867   19.442  768.781   34.044  479.823   5.8545  471.200   10.439 8.622925 11.96871 
1 1 1   -4   16   13 o  672.925   5.8131  1567.40   27.074  1584.12   31.405  1519.02   53.426  676.479   6.7076  662.227   11.656 14.25098 13.44858 
1 1 1   -4   16   14 o  398.726   10.412  550.732   28.733   0.0000   0.0000  550.732   28.733  ?   ?   398.726   10.412 0.000000 10.41192 
1 1 1   -4   16   15 o  261.655   7.1379  237.099   12.926  236.538   16.468  238.000   20.862  261.283   9.1068  261.994   11.505 -0.7110291 14.67310 
1 1 1   -4   16   16 o  380.622   5.3722  501.668   14.152  505.085   16.509  492.195   27.486  381.873   6.2462  376.664   10.543 5.208527 12.25477 
1 1 1   -4   16   17 o  208.595   6.6149  150.781   9.5500  147.575   10.975  160.781   19.382  206.316   7.6857  214.578   13.114 -8.261871 15.19991 
1 1 1   -4   16   18 o  108.960   11.624   41.779   8.6308   41.835   10.223   41.639   16.103  108.645   13.915  106.640   22.525 2.005272 26.47622 
1 1 1   -4   16   19 o  239.002   6.2970  198.109   10.416  199.705   12.159  193.707   20.192  239.870   7.3239  235.262   12.445 4.607834 14.44038 
1 1 1   -4   16   20 o   94.410   13.512   31.859   8.5775   30.191   10.086   36.220   16.307   91.160   16.597   98.372   24.133 -7.212646 29.28915 
1 1 1   -4   16   21 o   42.652   17.553   2.2908   8.3453  -3.4305   9.4593   22.380   17.725   38.817   17.319   79.591   26.991 -40.77417 32.06949 
1 1 1   -4   18    1 o  1776.08   12.036 10919.54  147.958 10759.94  205.867 11090.06  212.794  1762.80   16.874  1789.61   17.180 -26.81799 24.08046 
1 1 1   -4   18    2 o  1805.67   12.231 11286.94  152.858 11027.53  210.698 11575.18  222.099  1784.51   17.059  1828.25   17.552 -43.73840 24.47673 
1 1 1   -4   18    3 o  345.808   4.8637  413.853   11.641  413.335   14.072  414.976   20.720  345.586   5.8831  346.251   8.6460 -0.6647949 10.45772 
1 1 1   -4   18    4 o  1124.53   9.2651  4377.69   72.110  4339.32   87.313  4460.00  127.890  1119.50   11.269  1134.63   16.286 -15.13501 19.80427 
1 1 1   -4   18    5 o  509.837   9.2828  900.000   32.756   0.0000   0.0000  900.000   32.756  ?   ?   509.837   9.2828 0.000000 9.282834 
1 1 1   -4   18    6 f  812.303   6.2423  2284.05   35.094  2262.17   49.111  2306.88   50.168  808.292   8.7788  816.235   8.8804 -7.942810 12.48715 
1 1 1   -4   18    7 o  1656.87   13.087  9509.27  150.077  9581.46  185.094  9370.73  256.411  1662.73   16.084  1643.18   22.546 19.55359 27.69531 
1 1 1   -4   18    8 o  1280.56   9.0050  5676.80   79.811  5755.73  114.383  5601.92  111.414  1289.19   12.819  1271.86   12.657 17.32996 18.01476 
1 1 1   -4   18    9 o  1040.26   10.721  3746.38   77.186  3746.38   77.186   0.0000   0.0000  1040.26   10.721  ?   ?  0.000000 10.72069 
1 1 1   -4   18   10 o  723.891   5.8684  1813.62   29.402  1812.99   33.710  1815.61   60.107  723.752   6.7296  724.148   11.993 -0.3954468 13.75199 
1 1 1   -4   18   11 o  138.183   8.3012   66.336   7.9023   66.336   7.9023   0.0000   0.0000  138.183   8.3012  ?   ?  0.000000 8.301190 
1 1 1   -4   18   12 o  348.661   5.7875  420.760   13.966  420.760   13.966   0.0000   0.0000  348.661   5.7875  ?   ?  0.000000 5.787515 
1 1 1   -4   18   13 o  792.517   7.3393  2174.38   40.257  2204.93   49.492  2114.63   69.206  797.988   8.9611  781.239   12.799 16.74908 15.62438 
1 1 1   -4   18   14 o  370.617   10.768  475.902   27.620   0.0000   0.0000  475.902   27.620  ?   ?   370.617   10.768 0.000000 10.76757 
1 1 1   -4   18   15 o  181.531   10.035  114.572   12.559  101.951   17.555  127.805   17.975  170.677   15.014  191.404   13.659 -20.72711 20.29705 
1 1 1   -4   18   16 o  134.171   11.458   62.945   10.538   57.420   12.974   73.659   18.067  127.610   14.975  144.146   18.539 -16.53552 23.83160 
1 1 1   -4   18   17 o  178.937   8.3116  111.055   10.294  111.055   10.294   0.0000   0.0000  178.937   8.3116  ?   ?  0.000000 8.311645 
1 1 1   -4   18   18 o   40.690   16.902   1.4106   7.8385  -0.9380   9.1065   8.1268   15.399   40.838   17.635   62.041   24.424 -21.20363 30.12505 
1 1 1   -4   18   19 o  187.663   14.121  123.951   18.207   0.0000   0.0000  123.951   18.207  ?   ?   187.663   14.121 0.000000 14.12136 
1 1 1   -4   18   21 o  197.400   7.1997  135.546   9.8365  137.071   11.315  130.829   19.902  198.349   8.2424  191.703   15.123 6.645523 17.22327 
1 1 1   -4   20    1 o  719.299   6.5729  1790.68   32.722  1712.68   54.476  1834.71   40.929  703.379   11.190  728.065   8.1223 -24.68573 13.82723 
1 1 1   -4   20    2 o  1422.40   11.360  7004.41  111.833  6917.02  135.045  7195.12  199.502  1413.36   13.805  1441.01   20.003 -27.64563 24.30488 
1 1 1   -4   20    3 o  577.943   7.1205  1156.14   28.482   0.0000   0.0000  1156.14   28.482  ?   ?   577.943   7.1205 0.000000 7.120541 
1 1 1   -4   20    4 o  296.803   4.9721  304.891   10.214  295.192   12.032  329.902   19.322  292.035   5.9529  308.686   9.0440 -16.65125 10.82735 
1 1 1   -4   20    5 o  1087.91   9.0475  4098.10   68.123  4005.23   81.295  4317.07  124.833  1075.36   10.923  1115.88   16.164 -40.51355 19.50813 
1 1 1   -4   20    6 o  482.411   9.8882  805.854   33.015   0.0000   0.0000  805.854   33.015  ?   ?   482.411   9.8882 0.000000 9.888195 
1 1 1   -4   20    7 o  1154.83   11.628  4618.20   92.938  4549.27  128.367  4694.15  134.732  1145.81   16.187  1163.86   16.726 -18.05090 23.27602 
1 1 1   -4   20    8 o  1215.83   9.9655  5117.62   83.859  5199.60  104.072  4965.85  141.601  1225.40   12.271  1197.20   17.089 28.20264 21.03849 
1 1 1   -4   20   10 o  1311.90   9.2164  5957.76   83.683  6015.19   97.341  5795.12  163.819  1318.14   10.670  1293.28   18.302 24.85962 21.18502 
1 1 1   -4   20   11 o  598.028   6.2235  1237.85   25.759  1275.93   31.852  1165.85   43.794  607.131   7.5801  580.269   10.905 26.86157 13.28038 
1 1 1   -4   20   12 o  559.560   6.1455  1083.78   23.800  1109.19   29.170  1033.17   41.163  566.052   7.4457  546.207   10.889 19.84497 13.19093 
1 1 1   -4   20   13 o  266.817   11.824  246.634   21.835   0.0000   0.0000  246.634   21.835  ?   ?   266.817   11.824 0.000000 11.82377 
1 1 1   -4   20   14 o  332.153   5.2955  381.913   12.174  388.428   14.055  362.341   24.359  334.958   6.0626  323.363   10.884 11.59491 12.45878 
1 1 1   -4   20   15 o  492.906   5.2594  841.182   17.942  859.841   20.868  788.293   35.135  498.303   6.0509  476.793   10.647 21.50940 12.24638 
1 1 1   -4   20   16 f  468.098   6.0552  758.979   19.617  758.979   19.617   0.0000   0.0000  468.098   6.0552  ?   ?  0.000000 6.055165 
1 1 1   -4   20   17 o  111.465   10.910   43.583   8.3086   43.808   9.8140   43.015   15.611  111.446   12.966  108.786   21.496 2.659981 25.10365 
1 1 1   -4   20   18 o  205.328   6.7994  146.209   9.6626  149.481   11.157  136.390   19.328  207.545   7.7671  197.098   14.265 10.44749 16.24227 
1 1 1   -4   20   19 o  226.674   6.9625  178.332   10.923  182.910   12.915  166.829   20.471  229.443   8.1330  217.924   13.641 11.51895 15.88188 
1 1 1   -4   20   20 o  170.191   7.8131  100.716   9.2032  108.397   10.758   79.756   17.772  176.448   8.8093  149.066   17.562 27.38176 19.64796 
1 1 1   -4   20   21 o  171.954   8.1370  103.036   9.6840   95.373   10.909  131.512   21.030  164.942   9.5978  191.768   15.991 -26.82561 18.65018 
1 1 1   -4   22    1 o  854.297   7.4568  2526.20   44.090  2446.34   74.284  2569.64   54.783  840.493   12.770  861.557   9.1872 -21.06396 15.73123 
1 1 1   -4   22    2 o  1044.15   7.5465  3773.95   54.537  3698.63   75.553  3855.88   78.802  1033.55   10.562  1055.27   10.789 -21.72900 15.09855 
1 1 1   -4   22    3 o  316.021   4.2727  345.642   9.3454  349.459   13.115  341.704   13.320  317.745   5.9638  314.197   6.1252 3.547211 8.548965 
1 1 1   -4   22    4 o  566.522   7.0545  1111.05   27.661  1111.05   27.661   0.0000   0.0000  566.522   7.0545  ?   ?  0.000000 7.054513 
1 1 1   -4   22    5 o  316.621   9.2851  347.122   20.347   0.0000   0.0000  347.122   20.347  ?   ?   316.621   9.2851 0.000000 9.285134 
1 1 1   -4   22    6 o  288.409   9.8174  288.000   19.597   0.0000   0.0000  288.000   19.597  ?   ?   288.409   9.8174 0.000000 9.817434 
1 1 1   -4   22    7 o  1053.94   8.8487  3845.31   64.547  3872.69   79.333  3791.71  111.019  1057.60   10.838  1046.21   15.332 11.38733 18.77603 
1 1 1   -4   22    8 o  545.496   5.8572  1029.88   22.113  1036.81   26.809  1015.12   39.114  547.312   7.0773  541.499   10.437 5.812927 12.61004 
1 1 1   -4   22    9 o  988.510   7.3095  3382.13   50.009  3383.23   70.559  3381.01   70.888  988.581   10.312  988.255   10.364 0.3259888 14.62055 
1 1 1   -4   22   10 o  1343.36   18.791  6253.66  174.711   0.0000   0.0000  6253.66  174.711  ?   ?   1343.36   18.791 0.000000 18.79103 
1 1 1   -4   22   11 f  652.114   5.5786  1471.85   25.178  1481.99   28.910  1440.00   51.232  654.341   6.3837  644.857   11.479 9.484192 13.13460 
1 1 1   -4   22   12 o  915.888   6.9478  2903.81   44.042  2921.11   50.830  2851.71   88.217  918.565   7.9952  907.191   14.050 11.37408 16.16565 
1 1 1   -4   22   13 o  498.651   6.1041  860.759   21.067  901.982   25.594  774.146   37.099  510.418   7.2449  472.710   11.339 37.70807 13.45612 
1 1 1   -4   22   14 o  242.947   6.8140  204.378   11.457  211.966   13.840  187.854   20.425  247.386   8.0834  232.396   12.747 14.98972 15.09394 
1 1 1   -4   22   15 o  416.658   5.1289  601.081   14.790  600.802   17.003  601.951   29.983  416.526   5.8981  416.621   10.398 -0.9503174E-01 11.95444 
1 1 1   -4   22   16 o  135.595   8.5480   64.006   7.9810   75.730   9.0861   24.415   16.697  147.499   8.9427   83.463   26.058 64.03596 27.55000 
1 1 1   -4   22   17 o  127.471   11.508   56.961   10.043   59.651   12.935   52.878   15.937  129.971   14.634  121.259   19.663 8.712090 24.51076 
1 1 1   -4   22   18 o   70.842   18.154   18.314   8.9419   25.752   11.122   4.7200   15.036   83.848   19.529   57.902   23.663 25.94530 30.68136 
1 1 1   -4   22   19 o   54.551   18.410   9.8646   8.2459   2.3041   9.4070   34.946   17.134   45.103   18.607   96.764   25.299 -51.66135 31.40469 
1 1 1   -4   22   20 o   55.518   18.666   10.365   8.4768   19.884   9.8137 -17.6098   16.823   73.358   19.131   44.464   20.975 28.89478 28.38856 
1 1 1   -4   22   21 o  102.374   13.842   37.668   9.5563   37.668   9.5563   0.0000   0.0000  102.374   13.842  ?   ?  0.000000 13.84208 
1 1 1   -4   24    1 o  325.034   4.3322  365.642   9.7457  353.766   13.475  378.667   14.112  319.694   6.0901  330.753   6.1645 -11.05917 8.665477 
1 1 1   -4   24    2 o  1224.58   8.6379  5192.06   73.210  5062.00  100.805  5337.23  106.500  1208.87   12.048  1241.26   12.397 -32.39453 17.28705 
1 1 1   -4   24    3 o  709.047   6.5541  1740.32   32.164  1700.07   38.732  1829.76   57.731  700.747   7.9860  726.808   11.477 -26.06030 13.98171 
1 1 1   -4   24    4 o  1555.01   10.687  8374.33  115.014  8201.94  159.049  8563.29  166.517  1538.35   14.938  1571.81   15.307 -33.46277 21.38795 
1 1 1   -4   24    5 o  187.075   5.1638  121.128   6.6859  120.551   9.4096  121.715   9.5017  186.616   7.2852  187.514   7.3213 -0.8981628 10.32844 
1 1 1   -4   24    6 o  680.485   7.9041  1602.92   37.226  1568.29   50.425  1644.39   55.188  673.010   10.825  689.118   11.571 -16.10797 15.84557 
1 1 1   -4   24    7 o  918.370   7.9737  2919.38   50.682  2928.69   61.912  2900.49   88.243  919.776   9.7256  915.159   13.932 4.617371 16.99068 
1 1 1   -4   24    8 o  369.576   9.9734  472.829   25.511   0.0000   0.0000  472.829   25.511  ?   ?   369.576   9.9734 0.000000 9.973411 
1 1 1   -4   24    9 o  366.791   9.1102  465.707   23.127   0.0000   0.0000  465.707   23.127  ?   ?   366.791   9.1102 0.000000 9.110177 
1 1 1   -4   24   10 o  489.965   5.0169  830.854   17.013  809.331   23.345  855.230   24.845  483.553   6.9754  497.072   7.2216 -13.51901 10.04030 
1 1 1   -4   24   11 o  1294.62   10.570  5803.64   94.705  5757.55  114.687  5902.44  167.916  1289.27   12.853  1304.74   18.595 -15.46521 22.60438 
1 1 1   -4   24   12 o  797.813   7.2543  2203.50   40.056  2223.14   48.704  2162.44   70.417  801.290   8.7821  790.025   12.878 11.26489 15.58768 
1 1 1   -4   24   13 o  777.354   7.2340  2092.22   38.920  2120.26   47.732  2036.58   67.229  782.450   8.8141  766.544   12.672 15.90527 15.43595 
1 1 1   -4   24   14 o  272.065   5.4426  256.261   10.248  252.776   11.549  269.171   22.229  270.191   6.1758  278.619   11.527 -8.428162 13.07745 
1 1 1   -4   24   15 f  182.613   8.7766  115.597   11.093  115.597   11.093   0.0000   0.0000  182.613   8.7766  ?   ?  0.000000 8.776560 
1 1 1   -4   24   16 o  253.044   5.6435  221.797   9.8838  231.551   11.319  190.488   20.280  258.517   6.3263  233.728   12.583 24.78908 14.08351 
1 1 1   -4   24   17 o  388.317   5.2327  522.388   14.063  527.956   16.260  505.854   28.018  390.312   6.0190  381.475   10.612 8.837250 12.20018 
1 1 1   -4   24   18 o  151.793   10.267   80.534   10.723   87.553   13.842   70.000   16.957  157.886   12.776  139.977   17.915 17.90886 22.00385 
1 1 1   -4   24   19 o   96.212   12.542   32.901   8.1530   28.233   9.2647   48.927   17.166   88.329   15.731  115.183   22.339 -26.85419 27.32208 
1 1 1   -4   24   20 o  158.350   8.2713   87.524   9.0336   91.347   10.328   75.073   18.639  161.605   9.2723  143.851   19.201 17.75343 21.32229 
1 1 1   -4   26    1 o  1281.27   8.9936  5684.30   79.754  5568.08  110.325  5811.51  115.426  1267.75   12.574  1295.13   12.877 -27.38025 17.99753 
1 1 1   -4   26    2 o  202.421   5.7382  141.827   8.0391  161.512   14.193  132.527   9.7550  215.970   9.4949  195.659   7.2036 20.31029 11.91827 
1 1 1   -4   26    3 o  1327.25   9.2782  6099.50   85.230  5981.50  118.031  6228.09  123.204  1314.00   12.978  1340.78   13.277 -26.77808 18.56638 
1 1 1   -4   26    4 o  654.319   5.4805  1481.83   24.819  1456.93   34.565  1508.33   35.659  648.746   7.6982  660.088   7.8053 -11.34235 10.96286 
1 1 1   -4   26    5 o  564.195   5.7975  1101.73   22.638  1021.46   36.552  1151.67   28.834  543.177   9.7230  576.817   7.2226 -33.63983 12.11203 
1 1 1   -4   26    6 o  451.568   4.6644  705.719   14.578  722.441   20.816  689.623   20.423  456.866   6.5830  446.369   6.6106 10.49780 9.329296 
1 1 1   -4   26    7 o  968.273   10.126  3245.65   67.859  3245.65   67.859   0.0000   0.0000  968.273   10.126  ?   ?  0.000000 10.12582 
1 1 1   -4   26    8 o  1232.88   10.111  5261.87   86.274  5128.79  102.494  5585.37  159.804  1217.09   12.167  1269.71   18.185 -52.61853 21.87990 
1 1 1   -4   26    9 o  258.121   5.8982  230.596   10.537  229.966   12.089  232.585   21.496  257.763   6.7764  259.178   11.983 -1.414948 13.76673 
1 1 1   -4   26   10 o  663.915   5.6497  1525.60   25.960  1538.71   36.619  1512.35   36.809  666.712   7.9358  660.974   8.0462 5.737915 11.30129 
1 1 1   -4   26   11 o  838.995   9.1979  2437.20   53.410  2467.80   74.796  2405.37   76.293  844.039   12.804  833.264   13.229 10.77460 18.41041 
1 1 1   -4   26   12 o  557.097   6.1405  1074.33   23.676  1125.51   29.300  978.049   40.191  570.171   7.4248  531.374   10.928 38.79663 13.21187 
1 1 1   -4   26   13 o  212.171   6.6186  155.859   9.7191  154.058   11.172  161.463   19.707  210.924   7.6532  215.384   13.285 -4.459854 15.33158 
1 1 1   -4   26   14 o  160.877   7.8690   89.659   8.7617   89.267   9.9826   90.976   18.283  160.243   9.0378  160.910   16.658 -0.6662292 18.95212 
1 1 1   -4   26   15 o   37.425   15.508   1.2034   6.5759  -4.0451   7.2122   27.073   16.012   32.801   14.837   86.873   25.173 -54.07179 29.22038 
1 1 1   -4   26   16 o  234.117   5.8024  189.885   9.4019  187.622   10.647  197.902   20.038  232.680   6.6111  238.255   12.193 -5.574951 13.86979 
1 1 1   -4   26   17 o   49.904   17.080   8.0099   7.0985   11.487   7.9601  -5.4927   15.687   57.470   18.000   50.320   22.388 7.150082 28.72654 
1 1 1   -4   26   18 o  280.541   5.6654  272.843   11.000  282.541   12.586  241.463   22.640  285.415   6.3712  263.022   12.437 22.39291 13.97366 
1 1 1   -4   26   19 o  145.821   8.6351   74.231   8.6761   75.436   9.8217   69.951   18.511  146.834   9.7196  138.969   19.806 7.865128 22.06241 
1 1 1   -4   26   20 o  170.999   8.8483  102.192   10.436  102.192   10.436   0.0000   0.0000  170.999   8.8483  ?   ?  0.000000 8.848345 
1 1 1   -4   28    1 o  1026.13   7.4845  3645.06   53.155  3576.24   73.696  3719.68   76.740  1016.23   10.478  1036.40   10.698 -20.16455 14.97475 
1 1 1   -4   28    2 o  1025.68   10.537  3642.92   74.800  3548.29  103.162  3747.80  108.614  1011.97   14.729  1040.00   15.090 -28.02942 21.08648 
1 1 1   -4   28    3 o  2016.89   15.724 14094.94  219.497 13951.22  376.193 14169.12  270.271  2004.05   27.122  2021.53   19.317 -17.47534 33.29809 
1 1 1   -4   28    4 o  787.813   6.1637  2148.17   33.608  2073.94   46.077  2232.56   49.128  774.017   8.6011  803.063   8.8389 -29.04620 12.33310 
1 1 1   -4   28    5 o  890.314   6.7143  2743.55   41.373  2668.27   57.020  2827.26   60.125  877.937   9.3839  903.707   9.6129 -25.76996 13.43372 
1 1 1   -4   28    6 o  962.836   7.1285  3208.72   47.504  3174.94   66.505  3243.91   67.877  957.667   10.034  968.010   10.131 -10.34271 14.25902 
1 1 1   -4   28    7 o  369.345   4.5824  472.108   11.714  458.736   16.260  486.536   16.890  364.063   6.4531  374.932   6.5086 -10.86874 9.165445 
1 1 1   -4   28    8 o  1094.07   9.1016  4143.53   68.920  4104.65   83.870  4224.39  120.943  1088.85   11.129  1104.36   15.823 -15.51501 19.34496 
1 1 1   -4   28    9 o  1125.45   11.447  4385.79   89.165  4385.79   89.165   0.0000   0.0000  1125.45   11.447  ?   ?  0.000000 11.44691 
1 1 1   -4   28   10 o  803.154   8.9051  2233.22   49.501  2233.22   49.501   0.0000   0.0000  803.154   8.9051  ?   ?  0.000000 8.905125 
1 1 1   -4   28   11 o  594.809   7.5804  1224.82   31.207  1224.82   31.207   0.0000   0.0000  594.809   7.5804  ?   ?  0.000000 7.580380 
1 1 1   -4   28   12 o  536.346   5.1588  995.731   19.150  1002.50   21.836  973.171   39.852  538.149   5.8627  530.018   10.864 8.131226 12.34489 
1 1 1   -4   28   13 o  166.055   6.6434   95.478   7.6351   92.144   8.3382  112.781   18.997  163.119   7.3857  179.589   15.433 -16.46950 17.10969 
1 1 1   -4   28   14 o  148.783   8.0225   76.923   8.2306   76.923   8.2306   0.0000   0.0000  148.783   8.0225  ?   ?  0.000000 8.022524 
1 1 1   -4   28   15 o  240.949   6.1867  201.113   10.317  203.816   11.973  193.317   20.334  242.522   7.1329  235.531   12.519 6.990662 14.40813 
1 1 1   -4   28   16 o  198.415   6.8746  136.465   9.4405  126.409   10.881  167.073   18.984  190.895   8.2360  218.754   12.592 -27.85928 15.04608 
1 1 1   -4   28   17 o  142.865   7.9542   71.056   7.8339   72.052   8.8040   67.268   17.167  143.760   8.8921  137.152   18.562 6.608444 20.58168 
1 1 1   -4   28   18 o   60.679   16.948   13.333   7.3911   12.738   8.1649   16.029   17.394   59.863   18.139   72.800   26.559 -12.93755 32.16189 
1 1 1   -4   28   19 o  119.046   15.096   50.641   12.159   50.641   12.159   0.0000   0.0000  119.046   15.096  ?   ?  0.000000 15.09642 
1 1 1   -4   28   20 o  141.884   8.8922   70.484   8.6880   68.380   9.6329   79.659   20.114  139.517   10.043  147.535   20.231 -8.017639 22.58707 
1 1 1   -4   30    1 o  403.732   5.2753  564.147   14.741  541.540   17.710  615.122   26.594  395.546   6.4692  421.521   9.1155 -25.97458 11.17774 
1 1 1   -4   30    2 o  468.374   4.7881  759.238   15.521  726.894   21.308  795.804   22.655  458.265   6.7181  479.493   6.8267 -21.22852 9.577883 
1 1 1   -4   30    3 o  687.390   5.6726  1635.36   26.987  1605.49   37.580  1667.18   38.780  681.036   7.9727  693.995   8.0738 -12.95959 11.34684 
1 1 1   -4   30    4 o  286.916   6.6189  284.925   13.144   0.0000   0.0000  284.925   13.144  ?   ?   286.916   6.6189 0.000000 6.618927 
1 1 1   -4   30    5 o  1349.63   9.4421  6305.44   88.198  6186.77  122.273  6434.17  127.345  1336.66   13.217  1363.11   13.498 -26.44470 18.89148 
1 1 1   -4   30    6 o  542.418   5.0476  1018.24   18.949  1018.21   26.729  1018.28   26.869  542.385   7.1203  542.403   7.1572 -0.1794434E-01 10.09576 
1 1 1   -4   30    7 o  997.800   7.3661  3446.01   50.869  3324.87   69.353  3587.08   74.841  980.019   10.225  1017.91   10.623 -37.89502 14.74428 
1 1 1   -4   30    8 o  1324.82   13.146  6078.05  120.536  6078.05  120.536   0.0000   0.0000  1324.82   13.146  ?   ?  0.000000 13.14570 
1 1 1   -4   30   10 o  979.354   8.3630  3320.57   56.686  3305.37   96.249  3328.65   70.142  976.712   14.238  980.433   10.337 -3.721741 17.59465 
1 1 1   -4   30   11 o  131.698   8.6216   60.312   7.8151   64.183   10.190   54.785   12.178  135.684   10.944  124.906   14.348 10.77872 18.04534 
1 1 1   -4   30   12 f  691.577   5.7792  1655.69   27.662  1663.20   31.622  1631.22   57.094  693.106   6.5919  686.047   12.024 7.059448 13.71267 
1 1 1   -4   30   13 o  222.171   6.0769  170.912   9.3444  170.912   9.3444   0.0000   0.0000  222.171   6.0769  ?   ?  0.000000 6.076941 
1 1 1   -4   30   14 o   85.259   11.231   25.659   6.4662   25.990   7.0257   23.824   16.535   85.672   12.193   82.741   25.948 2.930367 28.66975 
1 1 1   -4   30   15 o  266.181   5.8172  245.435   10.717  246.915   12.514  241.366   20.755  266.935   6.7736  263.594   11.376 3.341278 13.24024 
1 1 1   -4   30   16 o  186.657   7.0648  120.802   9.1268  114.799   10.441  140.244   18.790  181.894   8.2938  200.138   13.647 -18.24367 15.96940 
1 1 1   -4   30   17 o  186.787   6.5929  120.998   8.5231  126.752   9.5526   98.537   18.874  191.135   7.2211  166.819   16.566 24.31667 18.07153 
1 1 1   -4   30   18 o   94.237   11.694   31.462   7.4632   28.725   8.1543   45.585   18.523   89.610   13.573  110.582   24.812 -20.97180 28.28196 
1 1 1   -4   30   19 o  170.674   7.2205  101.231   8.5293  100.398   9.3586  105.317   20.724  169.893   7.9590  171.437   17.722 -1.543930 19.42735 
1 1 1   -4   30   20 o  104.565   14.671   39.415   10.325   28.039   12.105   69.805   19.784   86.420   20.540  137.218   21.541 -50.79738 29.76449 
1 1 1   -4   32    1 o  1612.16   11.064  8998.71  123.454  8815.75  170.638  9199.67  178.831  1595.30   15.455  1629.63   15.855 -34.32532 22.14129 
1 1 1   -4   32    2 o  288.290   6.5952  287.660   13.159  287.660   13.159   0.0000   0.0000  288.290   6.5952  ?   ?  0.000000 6.595231 
1 1 1   -4   32    3 o  340.035   8.9792  400.244   21.132  400.244   21.132   0.0000   0.0000  340.035   8.9792  ?   ?  0.000000 8.979219 
1 1 1   -4   32    4 o  453.361   4.7997  711.330   15.060  687.897   20.904  736.618   21.716  445.814   6.7750  461.331   6.8013 -15.51730 9.599895 
1 1 1   -4   32    5 o  1341.35   10.874  6228.78  100.954  6043.90  170.046  6329.42  125.456  1320.78   18.602  1352.00   13.407 -31.21765 22.93003 
1 1 1   -4   32    6 o  534.758   5.0520  989.693   18.698  980.769   26.105  999.094   26.794  532.319   7.0857  537.267   7.2056 -4.948303 10.10583 
1 1 1   -4   32    7 o  640.867   5.5059  1421.46   24.421  1395.09   33.854  1450.06   35.263  634.861   7.7047  647.244   7.8719 -12.38269 11.01494 
1 1 1   -4   32    8 o  409.560   4.7993  580.534   13.604  561.822   18.671  601.712   19.863  402.885   6.6958  416.940   6.8833 -14.05475 9.602769 
1 1 1   -4   32    9 o  465.609   5.6152  750.357   18.095  742.927   29.300  754.938   23.007  463.231   9.1388  467.003   7.1181 -3.772705 11.58382 
1 1 1   -4   32   10 o  850.283   6.6147  2502.68   38.927  2401.92   52.824  2622.43   57.586  832.874   9.1637  870.244   9.5610 -37.36975 13.24332 
1 1 1   -4   32   11 o  142.853   10.217   71.046   10.035   51.463   17.931   79.976   12.109  119.754   22.460  151.485   11.638 -31.73106 25.29574 
1 1 1   -4   32   12 o  309.263   5.2209  331.094   11.175  333.508   15.060  328.136   16.670  310.345   7.0115  307.812   7.8248 2.533051 10.50660 
1 1 1   -4   32   13 o  551.141   5.1716  1051.69   19.727  1055.84   22.442  1037.56   41.374  552.190   5.8722  546.964   10.929 5.226318 12.40694 
1 1 1   -4   32   14 o   42.183   15.383   5.0118   5.8344   1.1537   6.3166   27.429   15.226   36.678   15.199   87.136   24.321 -50.45804 28.67916 
1 1 1   -4   32   15 o  213.627   12.939  159.366   19.041   0.0000   0.0000  159.366   19.041  ?   ?   213.627   12.939 0.000000 12.93945 
1 1 1   -4   32   16 o  166.626   7.2466   96.292   8.3571   99.527   9.4720   84.927   17.754  169.356   8.0810  154.854   16.837 14.50214 18.67562 
1 1 1   -4   32   17 o  112.548   9.2113   44.326   7.1123   41.849   7.7562   57.415   17.829  109.165   10.391  125.677   21.255 -16.51152 23.65876 
1 1 1   -4   32   18 o  176.395   7.3485  108.074   8.9714  108.074   8.9714   0.0000   0.0000  176.395   7.3485  ?   ?  0.000000 7.348484 
1 1 1   -4   32   19 o  169.227   7.1866   99.551   8.4172   96.856   9.2237  112.976   20.584  166.831   7.9882  177.717   16.940 -10.88560 18.72900 
1 1 1   -4   34    1 o  783.132   7.1462  2122.74   38.734  2052.94   45.967  2293.66   71.932  770.118   8.6241  813.889   12.770 -43.77130 15.40909 
1 1 1   -4   34    2 o  478.530   4.8918  792.503   16.202  780.067   22.542  805.791   23.302  474.741   6.8604  482.504   6.9778 -7.763000 9.785458 
1 1 1   -4   34    3 o  398.696   9.1795  550.244   25.330   0.0000   0.0000  550.244   25.330  ?   ?   398.696   9.1795 0.000000 9.179477 
1 1 1   -4   34    4 o  1616.67   11.122  9048.34  124.449  8699.98  168.527  9466.12  184.558  1584.94   15.363  1653.19   16.130 -68.24805 22.27552 
1 1 1   -4   34    5 o  1415.69   9.8630  6937.89   96.639  6741.51  132.518  7160.96  141.234  1395.29   13.723  1438.00   14.191 -42.71875 19.74037 
1 1 1   -4   34    6 o  305.568   9.0750  323.220   19.192   0.0000   0.0000  323.220   19.192  ?   ?   305.568   9.0750 0.000000 9.074960 
1 1 1   -4   34    7 o  649.994   5.5786  1462.26   25.096  1431.30   34.771  1495.94   36.259  643.031   7.8127  657.389   7.9693 -14.35754 11.16009 
1 1 1   -4   34    8 o  1823.13   12.431 11511.77  156.856 11059.46  211.937 12059.61  233.247  1786.30   17.143  1865.16   18.069 -78.86072 24.90668 
1 1 1   -4   34    9 o  554.770   5.2688  1065.25   20.230  1035.81   27.842  1098.17   29.445  547.005   7.3542  563.224   7.5536 -16.21893 10.54234 
1 1 1   -4   34   10 o  220.057   7.8895  167.661   12.016  167.661   12.016   0.0000   0.0000  220.057   7.8895  ?   ?  0.000000 7.889495 
1 1 1   -4   34   11 o  443.647   6.9043  681.461   21.200  681.461   21.200   0.0000   0.0000  443.647   6.9043  ?   ?  0.000000 6.904291 
1 1 1   -4   34   12 o  145.958   17.548   75.122   17.372   0.0000   0.0000   75.122   17.372  ?   ?   145.958   17.548 0.000000 17.54811 
1 1 1   -4   34   13 o  445.999   5.6589  688.826   17.468  705.491   20.984  651.219   31.523  451.299   6.7182  433.292   10.511 18.00635 12.47500 
1 1 1   -4   34   14 o  209.724   5.9269  152.360   8.6030  151.876   9.6440  154.244   19.037  209.364   6.6555  210.206   13.151 -0.8422546 14.73911 
1 1 1   -4   34   15 o  369.547   4.7921  472.983   12.257  474.597   13.782  466.878   26.808  370.136   5.3797  366.567   10.567 3.569672 11.85721 
1 1 1   -4   34   16 o   47.322   15.659   7.4608   5.9702   10.110   6.4570  -8.1463   15.673   53.501   16.113   48.370   21.876 5.131622 27.16946 
1 1 1   -4   34   17 o   45.223   17.496   4.7008   7.7930   4.3176   8.7127   6.2341   17.427   46.420   18.340   62.710   25.534 -16.29023 31.43829 
1 1 1   -4   34   18 o   63.420   15.474   14.719   6.7318   13.437   7.3465   21.434   16.812   60.765   16.870   78.460   26.288 -17.69463 31.23526 
1 1 1   -4   34   19 o   47.262   16.876   6.8792   6.9769   5.4767   7.5305   15.380   18.540   45.727   17.321   72.253   27.223 -26.52655 32.26645 
1 1 1   -4   36    1 o  327.648   4.8002  371.531   10.885  365.695   15.046  377.941   15.768  325.052   6.6880  330.449   6.8944 -5.396210 9.605295 
1 1 1   -4   36    2 o  393.310   6.8097  535.408   18.537  515.122   24.931  560.488   27.721  385.761   9.3378  402.381   9.9538 -16.62024 13.64822 
1 1 1   -4   36    3 o  697.820   5.8077  1685.33   28.049  1638.63   38.699  1737.00   40.713  688.048   8.1265  708.396   8.3038 -20.34784 11.61868 
1 1 1   -4   36    4 o  871.623   6.6941  2629.50   40.383  2583.94   56.153  2678.30   58.118  863.972   9.3906  879.601   9.5465 -15.62909 13.39104 
1 1 1   -4   36    5 o  759.195   6.1199  1994.88   32.157  1935.08   44.223  2061.98   46.843  747.677   8.5460  771.798   8.7694 -24.12091 12.24481 
1 1 1   -4   36    6 o  683.484   6.7395  1616.93   31.881  1520.49   53.377  1670.42   39.750  662.654   11.638  694.661   8.2678 -32.00708 14.27608 
1 1 1   -4   36    8 o   66.179   16.584   15.778   7.5808   6.2146   10.786   25.112   10.657   53.221   20.586   83.444   18.892 -30.22269 27.94059 
1 1 1   -4   36    9 o  263.821   5.4585  240.914   9.9669  245.951   13.331  234.532   15.008  266.543   7.2266  260.266   8.3314 6.277130 11.02883 
1 1 1   -4   36   10 o  805.569   12.971  2249.27   72.321  2249.27   72.321   0.0000   0.0000  805.569   12.971  ?   ?  0.000000 12.97136 
1 1 1   -4   36   11 o  248.748   6.0711  214.228   10.452  235.393   12.758  171.024   18.227  260.724   7.0700  221.783   11.918 38.94104 13.85748 
1 1 1   -4   36   12 o  233.336   5.6288  188.522   9.0903  199.520   12.075  174.137   13.810  239.999   7.2695  224.159   8.9014 15.84009 11.49265 
1 1 1   -4   36   13 o  385.667   5.7317  515.133   15.299  511.448   18.090  524.390   28.672  384.223   6.8026  388.736   10.657 -4.513367 12.64289 
1 1 1   -4   36   14 o  244.594   4.9328  207.191   8.3505  219.243   9.3360  158.976   18.674  251.590   5.3615  213.421   12.699 38.16881 13.78472 
1 1 1   -4   36   15 o  137.167   6.8373   65.231   6.4910   63.748   7.1117   72.634   15.887  135.354   7.6225  143.218   16.319 -7.864059 18.01123 
1 1 1   -4   36   16 o  195.236   5.6986  132.123   7.7003  135.351   8.3665  114.244   19.692  197.581   6.1182  179.852   15.986 17.72858 17.11678 
1 1 1   -4   36   17 o  103.511   9.8994   37.644   7.0055   37.644   7.0055   0.0000   0.0000  103.511   9.8994  ?   ?  0.000000 9.899382 
1 1 1   -4   36   18 o   35.896   15.463  -0.4962   6.9673  -2.1849   7.6576   7.6244   16.792   35.728   15.780   62.742   25.237 -27.01404 29.76421 
1 1 1   -4   36   19 o   96.076   11.966   32.900   7.7846   33.204   8.4984   31.317   19.406   96.254   13.097   90.872   28.046 5.382141 30.95370 
1 1 1   -4   38    1 o  1269.80   12.718  5582.93  111.772   0.0000   0.0000  5582.93  111.772  ?   ?   1269.80   12.718 0.000000 12.71807 
1 1 1   -4   38    2 o  742.002   6.0348  1905.52   30.991  1876.46   43.236  1936.23   44.446  736.275   8.4846  747.907   8.5863 -11.63220 12.07115 
1 1 1   -4   38    3 o  523.277   5.1371  947.663   18.605  903.443   25.327  999.490   27.420  510.899   7.1627  537.367   7.3725 -26.46826 10.27899 
1 1 1   -4   38    4 o  649.008   5.6410  1457.82   25.339  1378.32   34.146  1555.26   37.801  631.025   7.8184  670.298   8.1481 -39.27356 11.29245 
1 1 1   -4   38    5 o  1030.75   8.7585  3677.95   62.483  3544.88  103.415  3754.46   78.413  1011.60   14.771  1041.31   10.880 -29.71301 18.34518 
1 1 1   -4   38    6 o  586.574   5.3979  1190.85   21.914  1162.94   30.189  1221.94   31.861  579.618   7.5255  594.133   7.7481 -14.51489 10.80121 
1 1 1   -4   38    7 o  1121.05   9.4294  4351.38   73.162  4353.66  127.716  4350.27   89.259  1120.72   16.465  1120.76   11.507 -0.3356934E-01 20.08776 
1 1 1   -4   38    8 o  882.978   6.7979  2698.92   41.543  2661.39   57.829  2738.93   59.719  876.679   9.5308  889.349   9.7020 -12.66913 13.60017 
1 1 1   -4   38    9 o  447.166   5.0724  692.120   15.699  691.135   21.565  693.231   22.897  446.802   6.9737  447.468   7.3934 -0.6654358 10.16336 
1 1 1   -4   38   10 o  513.673   5.9666  913.483   21.212  899.623   25.033  948.781   39.949  509.717   7.0959  523.241   11.031 -13.52377 13.11655 
1 1 1   -4   38   11 f  126.461   8.6681   55.670   7.5410   50.854   9.6044   63.410   12.177  120.533   11.659  134.529   13.250 -13.99577 17.64904 
1 1 1   -4   38   12 o  348.530   4.9480  420.587   11.936  430.007   16.327  409.774   17.493  352.334   6.6952  343.911   7.3492 8.423126 9.941702 
1 1 1   -4   38   13 o  309.120   5.7417  330.977   12.284  343.317   18.876  321.911   16.179  314.646   8.6677  304.747   7.6708 9.898346 11.57454 
1 1 1   -4   38   14 f  207.445   5.2472  149.065   7.5337  152.678   8.2710  131.463   18.255  209.926   5.6926  193.793   13.698 16.13341 14.83398 
1 1 1   -4   38   15 o  173.822   5.7629  104.711   6.9330  105.299   7.5343  101.463   17.710  174.286   6.2460  169.696   15.242 4.590622 16.47196 
1 1 1   -4   38   16 o   43.298   15.371   5.6932   5.7801   5.6932   5.7801   0.0000   0.0000   43.298   15.371  ?   ?  0.000000 15.37142 
1 1 1   -4   38   17 o  101.003   9.1010   35.790   6.2938   36.589   6.6496   28.912   19.502  102.070   9.5229   89.153   28.209 12.91676 29.77348 
1 1 1   -4   38   18 o  166.490   7.1623   96.355   8.2531   90.493   9.0435  125.561   20.186  161.038   8.1403  187.857   15.668 -26.81827 17.65668 
1 1 1   -4   40    1 o  875.347   6.7372  2652.09   40.816  2578.20   56.214  2734.48   59.361  862.991   9.4115  888.753   9.6503 -25.76202 13.47981 
1 1 1   -4   40    2 o  715.253   5.9497  1770.65   29.453  1723.23   40.628  1823.17   42.760  705.560   8.3198  725.727   8.5131 -20.16711 11.90338 
1 1 1   -4   40    3 o  1158.62   9.6584  4647.41   77.451  4524.25   92.034  4946.34  143.378  1143.05   11.633  1194.74   17.339 -51.68628 20.88027 
1 1 1   -4   40    4 o  1034.08   8.7751  3701.82   62.803  3633.26   75.665  3853.66  112.603  1024.36   10.673  1054.65   15.426 -30.29114 18.75828 
1 1 1   -4   40    5 o  885.685   6.8416  2715.29   41.939  2586.40   56.548  2872.84   62.521  864.308   9.4531  910.890   9.9170 -46.58203 13.70066 
1 1 1   -4   40    6 o  462.875   7.1430  741.669   22.883  741.669   22.883   0.0000   0.0000  462.875   7.1430  ?   ?  0.000000 7.142975 
1 1 1   -4   40    7 o  190.899   6.6689  126.150   8.8112  111.748   11.715  144.913   13.371  179.392   9.4687  204.571   9.4435 -25.17841 13.37296 
1 1 1   -4   40    8 o  953.271   8.3787  3146.57   55.280  2956.58   90.936  3257.93   69.621  923.528   14.227  969.840   10.372 -46.31152 17.60629 
1 1 1   -4   40    9 o  526.941   5.2531  961.169   19.158  938.784   26.097  987.336   28.215  520.698   7.2414  533.976   7.6345 -13.27795 10.52250 
1 1 1   -4   40   10 o  467.577   5.7274  756.940   18.535  719.236   21.914  851.707   34.742  455.731   6.9475  495.731   10.126 -39.99966 12.28014 
1 1 1   -4   40   11 o  420.744   4.9502  612.902   14.415  599.529   19.502  629.008   21.403  416.042   6.7727  426.120   7.2571 -10.07742 9.926487 
1 1 1   -4   40   12 o  474.788   5.0190  780.584   16.493  771.898   22.617  790.449   24.102  472.005   6.9234  477.612   7.2912 -5.606995 10.05460 
1 1 1   -4   40   13 o  212.138   5.7879  155.899   8.4980  159.528   11.229  151.035   13.001  214.513   7.5633  208.646   9.0030 5.866379 11.75826 
1 1 1   -4   40   14 o  415.998   5.7222  599.640   16.475  595.773   19.505  609.268   30.778  414.544   6.7984  418.664   10.622 -4.120087 12.61100 
1 1 1   -4   40   15 o  140.924   8.7476   69.247   8.4898   76.123   9.9041   50.195   16.486  147.653   9.7464  117.492   21.046 30.16049 23.19363 
1 1 1   -4   40   16 o   23.767   11.283  -6.1953   5.0150  -6.4985   5.3101  -3.6917   15.257   24.504   11.626   50.666   22.332 -26.16245 25.17660 
1 1 1   -4   40   18 o   75.967   13.028   20.845   6.6031   20.845   6.6031   0.0000   0.0000   75.967   13.028  ?   ?  0.000000 13.02760 
1 1 1   -4   42    1 o  847.915   7.6722  2488.73   45.025  2381.95   74.844  2549.28   56.364  829.299   13.040  858.103   9.4904 -28.80359 16.12774 
1 1 1   -4   42    2 o  529.527   5.2733  970.477   19.326  919.241   26.315  1030.47   28.475  515.325   7.3782  545.608   7.5406 -30.28333 10.54977 
1 1 1   -4   42    3 o  902.569   6.9242  2819.81   43.254  2771.56   60.017  2871.95   62.392  894.703   9.6922  910.753   9.8981 -16.04987 13.85319 
1 1 1   -4   42    4 o  489.184   6.0653  828.292   20.535  803.070   24.175  893.659   38.918  481.656   7.2519  507.993   11.069 -26.33707 13.23311 
1 1 1   -4   42    5 o  919.435   7.0327  2926.35   44.753  2799.50   60.558  3079.00   66.430  899.157   9.7310  942.947   10.179 -43.79004 14.08194 
1 1 1   -4   42    6 o  418.029   5.8543  604.877   16.938  573.171   26.704  626.219   21.909  406.844   9.4836  425.307   7.4429 -18.46362 12.05552 
1 1 1   -4   42    7 o  212.307   8.4690  156.077   12.444  156.077   12.444   0.0000   0.0000  212.307   8.4690  ?   ?  0.000000 8.468999 
1 1 1   -4   42    8 o  482.496   5.2030  805.856   17.375  749.639   23.213  877.484   26.202  465.301   7.2081  503.404   7.5204 -38.10321 10.41694 
1 1 1   -4   42    9 o  280.283   5.5250  271.971   10.718  254.062   14.122  296.298   16.459  270.848   7.5334  292.478   8.1309 -21.62961 11.08444 
1 1 1   -4   42   10 o  686.505   5.8517  1631.94   27.804  1628.01   38.740  1636.11   39.927  685.478   8.1657  687.156   8.3952 -1.678162 11.71145 
1 1 1   -4   42   11 o  206.882   5.9255  148.232   8.4845  155.294   10.971  137.723   13.383  211.702   7.4878  199.278   9.7031 12.42342 12.25629 
1 1 1   -4   42   12 o  120.058   8.3661   50.223   6.9083   50.108   8.7353   50.414   11.288  119.666   10.659  119.574   13.899 0.9233093E-01 17.51505 
1 1 1   -4   42   13 o   37.944   15.338   2.1449   6.2359   3.7709   7.7272  -0.8917   10.560   43.824   17.286   44.189   19.036 -0.3647423 25.71328 
1 1 1   -4   42   14 o  140.130   8.4093   68.408   8.1181   72.175   9.3036   56.390   16.620  143.833   9.3974  125.109   19.857 18.72404 21.96827 
1 1 1   -4   42   15 o  118.126   11.244   49.052   9.0815   49.052   9.0815   0.0000   0.0000  118.126   11.244  ?   ?  0.000000 11.24362 
1 1 1   -4   42   16 o   75.734   15.236   20.854   7.7095   20.501   8.5629   22.361   17.716   74.813   16.932   80.344   26.985 -5.530937 31.85722 
1 1 1   -4   42   17 o  217.268   8.2631  164.293   12.426  158.829   14.872  176.927   22.615  213.331   10.072  223.642   14.692 -10.31116 17.81330 
1 1 1   -4   44    1 o  108.044   11.066   40.849   8.1581   31.612   11.005   52.118   12.155   93.977   17.566  121.760   14.723 -27.78304 22.91955 
1 1 1   -4   44    2 o  495.991   5.2771  851.468   18.115  830.644   25.140  873.959   26.127  489.849   7.4151  502.456   7.5130 -12.60724 10.55604 
1 1 1   -4   44    3 o  532.042   5.3738  979.760   19.788  981.983   27.612  977.413   28.373  532.599   7.4905  531.353   7.7151 1.246399 10.75318 
1 1 1   -4   44    4 o  495.780   5.2540  850.762   18.028  844.196   25.015  857.858   26.005  493.819   7.3192  497.793   7.5480 -3.973755 10.51393 
1 1 1   -4   44    5 o  504.627   6.1600  881.484   21.514  879.567   25.806  885.854   38.959  504.046   7.3974  505.710   11.131 -1.664368 13.36488 
1 1 1   -4   44    6 o  548.397   6.1341  1041.07   23.282  1046.81   28.580  1029.76   40.144  549.860   7.5098  545.227   10.638 4.633179 13.02190 
1 1 1   -4   44    7 o  227.316   6.1794  178.889   9.7219  181.355   13.022  175.783   14.612  228.841   8.2219  225.274   9.3720 3.567398 12.46733 
1 1 1   -4   44    8 o  399.706   5.1218  553.074   14.169  536.708   18.922  573.964   21.377  393.689   6.9446  407.098   7.5872 -13.40903 10.28556 
1 1 1   -4   44    9 o  633.814   6.6290  1391.24   29.079  1332.19   49.609  1422.15   35.892  619.735   11.566  640.695   8.0941 -20.96008 14.11686 
1 1 1   -4   44   10 o  265.134   5.4245  243.419   9.9541  224.012   12.872  272.288   15.700  254.278   7.3142  280.305   8.0924 -26.02692 10.90802 
1 1 1   -4   44   11 o  357.370   8.5534  442.829   21.156  442.829   21.156   0.0000   0.0000  357.370   8.5534  ?   ?  0.000000 8.553435 
1 1 1   -4   44   12 o  435.236   5.0002  656.079   15.062  654.224   20.522  658.245   22.176  434.466   6.8249  435.745   7.3533 -1.279083 10.03246 
1 1 1   -4   44   13 o  337.529   4.9532  394.638   11.571  408.717   15.674  377.776   17.154  343.365   6.5956  330.027   7.5100 13.33865 9.995060 
1 1 1   -4   44   14 o  248.522   6.8373  214.230   11.761  214.230   11.761   0.0000   0.0000  248.522   6.8373  ?   ?  0.000000 6.837321 
1 1 1   -4   44   15 o  237.675   6.1519  195.934   10.120  197.320   11.526  191.268   21.145  238.436   6.9841  233.521   13.136 4.914627 14.87726 
1 1 1   -4   44   16 o  215.210   5.0382  160.579   7.5044  156.800   7.9955  188.537   21.747  212.630   5.4331  231.436   13.637 -18.80560 14.67931 
1 1 1   -4   44   17 o  100.840   8.1890   35.640   5.6659   34.142   5.9197   52.000   19.563   98.592   8.7667  117.264   24.875 -18.67259 26.37444 
1 1 1   -4   46    1 o  636.094   5.7139  1400.52   25.155  1364.70   34.657  1440.40   36.570  627.838   7.9757  645.010   8.1919 -17.17114 11.43323 
1 1 1   -4   46    2 o  692.423   6.8383  1659.73   32.771  1624.08   39.455  1739.02   58.849  684.891   8.3235  708.521   12.001 -23.62927 14.60473 
1 1 1   -4   46    3 o  1139.10   8.2862  4492.60   65.327  4307.92   88.446  4714.31   96.906  1115.17   11.459  1166.53   12.003 -51.35681 16.59459 
1 1 1   -4   46    4 o  559.036   5.4457  1081.77   21.070  1065.43   29.230  1099.44   30.400  554.731   7.6132  563.511   7.7946 -8.779480 10.89570 
1 1 1   -4   46    5 o  507.020   5.3018  889.843   18.605  851.789   25.403  933.871   27.325  495.997   7.4000  519.338   7.6020 -23.34100 10.60896 
1 1 1   -4   46    6 o  501.833   5.3088  871.775   18.439  859.263   25.344  885.845   26.877  498.146   7.3508  505.778   7.6779 -7.632416 10.62943 
1 1 1   -4   46    7 o  105.246   14.733   39.191   10.438   30.390   17.805   43.799   12.884   92.219   26.494  110.959   17.344 -18.73959 31.66644 
1 1 1   -4   46    8 o  581.080   6.2205  1169.26   25.017  1139.71   30.327  1232.19   44.260  573.593   7.6391  596.121   10.727 -22.52777 13.16946 
1 1 1   -4   46    9 o  186.597   6.5731  120.602   8.4889  116.770   10.967  126.328   13.407  183.548   8.6332  190.582   10.201 -7.033539 13.36409 
1 1 1   -4   46   10 o  197.713   8.1521  135.506   11.155  102.927   18.930  152.838   13.807  171.140   16.174  209.913   9.5037 -38.77335 18.75924 
1 1 1   -4   46   11 o  123.632   8.6973   53.279   7.3946   58.375   9.1069   43.418   12.669  129.264   10.264  110.236   17.163 19.02801 19.99801 
1 1 1   -4   46   12 o  179.982   7.7470  112.354   9.6502  112.354   9.6502   0.0000   0.0000  179.982   7.7470  ?   ?  0.000000 7.746969 
1 1 1   -4   46   13 o  154.980   6.7644   83.292   7.2557   88.145   9.1734   75.183   11.858  159.125   8.3587  146.466   11.798 12.65948 14.45882 
1 1 1   -4   46   14 o   71.389   14.271   18.453   6.8048   19.309   7.5047   14.498   16.137   72.887   15.361   69.871   25.567 3.015686 29.82699 
1 1 1   -4   46   15 o  195.109   5.1279  131.968   6.9246  130.275   7.3745  144.585   20.132  193.828   5.4972  202.491   14.460 -8.663010 15.46998 
1 1 1   -4   46   16 o  245.846   4.8081  209.558   8.1812  203.169   8.7754  252.000   22.618  242.026   5.2388  268.210   12.184 -26.18381 13.26259 
1 1 1   -4   48    1 f  285.059   5.6842  281.280   11.214  290.289   15.513  271.418   16.230  289.553   7.7411  279.971   8.3758 9.582245 11.40525 
1 1 1   -4   48    2 o  989.574   7.4535  3390.50   51.049  3281.66   69.925  3514.70   74.700  973.331   10.380  1007.27   10.715 -33.93396 14.91835 
1 1 1   -4   48    3 o  715.774   7.0227  1773.81   34.790  1715.12   58.897  1805.27   43.116  703.500   12.096  722.005   8.6283 -18.50421 14.85823 
1 1 1   -4   48    4 o  286.631   6.5361  284.444   12.966  315.122   21.490  266.883   16.259  301.588   10.296  277.599   8.4627 23.98984 13.32723 
1 1 1   -4   48    5 o  111.606   10.865   43.577   8.2859   44.709   11.138   42.174   12.399  112.574   14.642  108.911   17.005 3.662628 22.44009 
1 1 1   -4   48    6 o  504.660   6.2148  881.851   21.707  867.555   25.687  917.561   40.599  500.492   7.4156  514.426   11.403 -13.93469 13.60199 
1 1 1   -4   48    7 o   46.162   18.431   3.6634   8.8848  -2.0936   9.8883   27.785   20.241   41.618   18.170   89.911   28.770 -48.29280 34.02708 
1 1 1   -4   48    8 o  166.092   8.2448   95.603   9.4778   98.146   13.710   93.275   13.117  167.740   11.886  163.527   11.666 4.212143 16.65466 
1 1 1   -4   48    9 o  131.296   8.5262   60.016   7.7059   58.766   9.7777   62.065   12.519  129.654   11.000  132.895   13.813 -3.240723 17.65764 
1 1 1   -4   48   10 o  369.672   5.1354  473.287   13.139  456.451   17.635  494.297   19.699  362.912   7.0208  377.615   7.5375 -14.70291 10.30075 
1 1 1   -4   48   11 o  203.368   6.0812  143.314   8.5595  138.230   10.570  152.996   14.588  199.652   7.6496  209.886   10.042 -10.23387 12.62382 
1 1 1   -4   48   12 o   82.256   11.687   24.014   6.4662   21.549   7.7323   29.749   11.793   77.250   15.003   90.310   19.442 -13.06074 24.55763 
1 1 1   -4   48   13 o   60.904   15.777   13.484   6.7038   18.217   7.5633  -3.8624   14.480   70.733   15.843   49.230   21.724 21.50256 26.88767 
1 1 1   -4   48   14 o  306.622   5.7168  326.011   12.132  329.258   14.013  316.293   24.244  308.045   6.5726  301.061   11.635 6.983032 13.36311 
1 1 1   -4   48   15 o  165.021   5.8537   94.479   6.6857   93.521   7.1152  101.707   19.540  164.151   6.2627  168.838   16.950 -4.686615 18.07009 
1 1 1   -4   50    1 o  278.742   5.7953  268.981   11.180  280.779   15.608  256.547   16.023  284.742   7.9198  272.163   8.5063 12.57941 11.62241 
1 1 1   -4   50    2 o  544.489   5.4703  1026.32   20.615  1018.84   28.698  1034.30   29.631  542.407   7.6445  546.498   7.8340 -4.090027 10.94579 
1 1 1   -4   50    3 o  333.413   5.4404  384.839   12.554  389.885   17.560  379.562   17.955  335.531   7.5615  331.050   7.8366 4.481018 10.88984 
1 1 1   -4   50    4 o  494.720   6.1934  847.438   21.206  816.097   35.938  864.181   26.267  485.218   10.701  499.513   7.5977 -14.29538 13.12414 
1 1 1   -4   50    5 o  150.335   8.5327   78.556   8.8416   73.367   11.739   85.358   13.440  144.962   11.803  156.353   12.525 -11.39166 17.21043 
1 1 1   -4   50    6 o  302.069   5.6087  315.950   11.726  314.396   15.808  317.851   17.484  301.251   7.5820  302.867   8.3407 -1.615997 11.27178 
1 1 1   -4   50    7 o  413.805   6.0924  593.049   17.448  605.917   20.845  562.927   31.892  418.203   7.2018  402.746   11.441 15.45663 13.51906 
1 1 1   -4   50    8 o  387.538   5.1962  520.084   13.937  512.955   19.062  528.271   20.430  384.754   7.1582  390.427   7.5604 -5.672394 10.41149 
1 1 1   -4   50    9 o  200.319   7.3686  139.089   10.216  145.561   14.745  133.113   14.168  204.495   10.453  195.526   10.508 8.968796 14.82161 
1 1 1   -4   50   10 o  222.224   5.9244  171.104   9.1120  160.723   11.889  185.886   14.186  215.270   7.9795  231.449   8.8558 -16.17941 11.92050 
1 1 1   -4   50   11 o  305.678   6.5160  323.918   13.786  297.171   22.838  339.249   17.291  292.275   11.290  312.691   7.9896 -20.41568 13.83109 
1 1 1   -4   50   12 o  159.252   7.6248   88.013   8.4040   88.051   9.7258   87.902   16.697  158.961   8.8755  157.723   15.496 1.238297 17.85775 
1 1 1   -4   50   13 f  119.109   8.5338   49.553   6.9884   56.553   8.8541   37.986   11.381  127.058   10.153  102.715   16.574 24.34225 19.43636 
1 1 1   -4   50   14 o  119.596   8.9865   50.051   7.3841   49.356   8.2144   52.976   16.855  118.584   10.105  120.303   21.008 -1.718895 23.31150 
1 1 1   -4   50   15 o   67.789   14.432   16.776   6.5632   16.511   7.1687   18.146   16.317   67.070   15.718   73.753   25.860 -6.682648 30.26208 
1 1 1   -4   52    1 o  617.448   6.5718  1320.19   28.084  1313.61   34.065  1334.15   49.621  615.811   7.9926  620.272   11.559 -4.461609 14.05288 
1 1 1   -4   52    2 o  136.377   9.4580   64.762   8.8721   58.356   12.020   72.430   13.150  128.947   13.677  143.854   13.360 -14.90686 19.11979 
1 1 1   -4   52    3 o  445.934   5.2849  688.486   16.311  673.277   22.669  704.813   23.488  440.877   7.4292  451.079   7.5233 -10.20160 10.57323 
1 1 1   -4   52    4 o  477.279   5.3442  788.721   17.654  783.287   24.505  794.583   25.453  475.513   7.4460  478.913   7.6791 -3.400604 10.69635 
1 1 1   -4   52    5 o  362.728   6.3674  455.694   15.985  438.439   26.429  465.648   20.073  355.520   10.741  366.585   7.9116 -11.06525 13.34017 
1 1 1   -4   52    6 o  338.618   6.1391  397.141   14.388  405.204   17.553  380.634   25.117  341.969   7.4164  331.190   10.957 10.77890 13.23131 
1 1 1   -4   52    7 o  353.618   5.3381  433.054   13.065  438.789   17.934  426.568   19.070  355.838   7.2821  350.807   7.8545 5.030243 10.71079 
1 1 1   -4   52    8 o  143.968   8.6103   72.142   8.5401   64.534   10.988   83.747   13.572  135.766   11.812  154.663   12.793 -18.89618 17.41237 
1 1 1   -4   52    9 o  191.830   6.9959  127.561   9.2883  124.375   12.230  131.903   14.277  189.294   9.3352  194.564   10.643 -5.269409 14.15683 
1 1 1   -4   52   10 o  186.859   6.7634  121.053   8.7470  105.233   11.221  145.553   13.964  173.825   9.3617  204.686   9.8569 -30.86038 13.59412 
1 1 1   -4   52   11 o  280.754   5.4065  273.148   10.506  268.763   13.735  279.329   16.308  278.350   7.1297  283.647   8.3070 -5.297028 10.94715 
1 1 1   -4   52   12 o   32.506   14.514  -2.7257   6.6578 -10.1137   8.1124   12.517   11.653   30.103   14.308   62.585   21.858 -32.48251 26.12477 
1 1 1   -4   52   13 o  126.202   8.2369   55.593   7.1551   52.621   9.3195   59.861   11.167  122.325   11.130  130.270   12.541 -7.945831 16.76699 
1 1 1   -4   52   14 o  129.628   8.1438   58.678   7.2693   69.073   9.7050   45.391   10.972  140.374   10.056  112.751   14.388 27.62263 17.55350 
1 1 1   -4   52   15 o   94.851   8.8330   31.635   5.7320   39.894   7.2580   17.947   9.3442  106.402   9.9721   69.647   18.902 36.75546 21.37106 
1 1 1   -4   54    1 o  130.694   9.4375   59.520   8.4793   71.090   11.674   46.598   12.337  142.632   11.935  114.665   15.979 27.96679 19.94465 
1 1 1   -4   54    2 o  330.977   6.2568  379.392   14.333  357.659   23.551  392.177   18.063  321.118   10.597  336.435   7.7572 -15.31720 13.13246 
1 1 1   -4   54    3 o   82.817   14.548   24.537   8.0342   28.810   10.814   19.273   12.003   89.343   18.108   73.762   21.913 15.58125 28.42703 
1 1 1   -4   54    4 o  217.801   6.6479  164.327   10.021  163.615   13.741  165.136   14.646  217.230   9.1397  218.212   9.6978 -0.9815521 13.32598 
1 1 1   -4   54    5 o  153.548   11.663   82.336   12.302   82.336   12.302   0.0000   0.0000  153.548   11.663  ?   ?  0.000000 11.66297 
1 1 1   -4   54    6 o  117.924   10.406   48.641   8.4059   49.215   11.117   47.874   12.846  118.143   13.858  116.056   16.453 2.087646 21.51180 
1 1 1   -4   54    7 o  243.832   6.0411  205.980   10.195  200.538   13.611  212.934   15.387  240.476   8.1781  247.745   8.9738 -7.268707 12.14124 
1 1 1   -4   54    8 o   55.836   19.278   9.9151   9.0513   15.959   10.365  -9.4976   18.576   67.238   20.451   52.818   23.858 14.42084 31.42421 
1 1 1   -4   54    9 o  138.426   9.7417   66.889   9.2736   63.037   10.756   78.049   18.306  134.093   11.707  148.118   18.243 -14.02466 21.67589 
1 1 1   -4   54   10 o  303.490   7.2841  319.526   15.300  319.526   15.300   0.0000   0.0000  303.490   7.2841  ?   ?  0.000000 7.284096 
1 1 1   -4   54   11 o  166.873   7.7414   96.676   8.9409   93.945   10.396  104.439   17.525  164.137   9.1878  172.084   14.860 -7.946518 17.47105 
1 1 1   -4   54   12 o  117.584   12.639   48.865   10.124   38.180   17.056   54.677   12.581  101.190   24.594  123.969   14.965 -22.77981 28.78963 
1 1 1   -4   54   13 o  182.117   6.9609  115.187   8.7739  118.781   12.261  111.416   12.561  184.388   9.6410  178.460   10.212 5.927963 14.04404 
1 1 1   -4   54   14 o  222.907   5.7195  172.454   8.8239  183.908   11.440  155.633   13.864  229.996   7.1869  211.216   9.4836 18.77983 11.89917 
1 1 1   -4   56    1 o  450.650   5.3095  703.271   16.560  677.446   22.908  731.539   23.968  442.149   7.4860  459.458   7.5370 -17.30927 10.62294 
1 1 1   -4   56    2 o  405.038   5.3483  568.130   14.993  560.214   20.406  577.416   22.102  402.080   7.3328  408.169   7.8237 -6.088867 10.72290 
1 1 1   -4   56    3 o  223.973   6.3854  173.781   9.8983  191.414   13.555  153.635   14.489  234.974   8.3347  210.431   9.9482 24.54260 12.97820 
1 1 1   -4   56    4 o  135.586   13.840   64.611   12.806   0.0000   0.0000   64.611   12.806  ?   ?   135.586   13.840 0.000000 13.84030 
1 1 1   -4   56    5 o  219.380   6.5446  166.764   9.9370  165.947   13.521  167.723   14.653  218.720   8.9317  219.845   9.6305 -1.124466 13.13477 
1 1 1   -4   56    6 o  335.404   6.3849  389.824   14.822  374.878   25.502  397.448   18.214  328.451   11.218  338.558   7.7730 -10.10733 13.64809 
1 1 1   -4   56    7 o  274.348   6.5292  260.874   12.398  236.390   19.598  277.209   16.008  260.798   10.857  282.682   8.1819 -21.88361 13.59499 
1 1 1   -4   56    8 o  186.457   7.1583  120.564   9.2377  134.077   12.502  104.316   13.709  196.494   9.1930  172.770   11.531 23.72485 14.74725 
1 1 1   -4   56    9 o  123.443   11.001   53.444   9.3008   49.662   10.629   65.805   19.215  118.603   13.171  134.944   21.278 -16.34093 25.02458 
1 1 1   -4   56   10 o  152.251   8.4931   80.774   8.9140   70.791   10.274  111.171   17.928  142.225   10.512  177.622   14.716 -35.39702 18.08448 
1 1 1   -4   56   11 o  101.346   11.194   36.243   7.7208   33.146   9.7863   41.347   12.565   96.059   15.228  106.974   17.582 -10.91502 23.25956 
1 1 1   -4   56   12 o  126.836   8.7193   56.233   7.6078   59.173   9.7825   51.734   12.102  129.753   10.997  120.466   14.828 9.287544 18.46042 
1 1 1   -4   56   13 o  186.086   6.3876  120.248   8.2268  127.876   10.717  109.304   12.837  191.699   8.0774  176.583   10.552 15.11595 13.28856 
1 1 1   -4   58    1 o  339.620   5.4291  399.492   12.761  400.342   17.875  398.608   18.225  339.840   7.5999  339.090   7.7654 0.7495728 10.86552 
1 1 1   -4   58    2 o  228.648   6.4279  181.143   10.172  178.176   13.931  184.531   14.888  226.640   8.8811  230.618   9.3274 -3.978149 12.87923 
1 1 1   -4   58    3 o  348.292   6.2278  420.303   15.012  411.064   17.932  441.951   27.450  344.347   7.5241  356.675   11.120 -12.32837 13.42601 
1 1 1   -4   58    4 o  391.503   6.0471  531.060   16.386  548.948   20.194  496.585   28.035  397.928   7.3323  378.092   10.713 19.83627 12.98214 
1 1 1   -4   58    5 o  405.009   5.3041  568.214   14.868  559.014   20.623  578.169   21.454  401.524   7.4211  408.327   7.5915 -6.802765 10.61618 
1 1 1   -4   58    6 o  128.969   9.5599   58.078   8.4725   53.378   11.420   63.832   12.636  123.013   13.643  134.635   13.754 -11.62160 19.37253 
1 1 1   -4   58    8 o  120.657   10.302   50.998   8.5206   43.129   11.064   62.469   13.358  110.086   14.904  132.871   14.776 -22.78530 20.98697 
1 1 1   -4   58    9 o   82.049   14.249   24.209   7.7982   22.424   10.119   26.820   12.237   78.218   18.902   85.379   20.881 -7.160797 28.16593 
1 1 1   -4   58   10 o  170.524   7.6050  100.984   8.9756  122.623   11.911   72.551   13.653  187.760   9.1659  143.292   13.944 44.46739 16.68639 
1 1 1   -4   58   11 o   57.415   18.355   11.465   8.2404   17.532   11.117   4.0660   12.277   69.774   21.170   52.436   21.400 17.33825 30.10252 
1 1 1   -4   58   12 o  230.779   6.4678  184.939   10.331  189.268   15.054  181.086   14.203  233.033   9.3336  227.996   9.0008 5.036301 12.96653 
1 1 1   -4   60    1 o  177.349   8.5918  109.125   10.546   99.268   17.276  114.980   13.315  168.054   15.011  181.612   10.639 -13.55807 18.39918 
1 1 1   -4   60    2 o  377.095   5.3708  492.603   14.017  511.903   19.872  473.492   19.775  384.226   7.4729  369.504   7.7325 14.72208 10.75339 
1 1 1   -4   60    3 o  406.873   6.1557  573.690   17.335  591.180   21.165  538.049   30.213  412.899   7.4061  393.409   11.096 19.48944 13.34076 
1 1 1   -4   60    4 o  215.406   7.7259  160.946   11.518  161.566   13.653  159.415   21.454  215.720   9.1444  213.248   14.624 2.471985 17.24782 
1 1 1   -4   60    5 o  115.651   10.626   46.892   8.4100   41.334   11.364   53.621   12.504  107.638   15.718  123.014   14.997 -15.37592 21.72502 
1 1 1   -4   60    6 o  252.919   6.1217  221.744   10.716  218.146   14.864  225.637   15.464  250.655   8.5679  254.902   8.7651 -4.247498 12.25707 
1 1 1   -4   60    7 o  342.692   5.4315  406.998   12.882  413.541   17.860  399.902   18.600  345.208   7.4751  339.410   7.9179 5.798187 10.88901 
1 1 1   -4   60    8 o  192.819   7.0600  129.016   9.4217  114.823   12.437  148.132   14.434  181.391   9.9443  206.314   10.108 -24.92252 14.17971 
1 1 1   -4   60    9 o  112.258   12.275   44.524   9.3815   35.043   11.199   66.829   17.178   98.409   17.061  136.317   18.700 -37.90797 25.31330 
1 1 1   -4   60   10 o  111.412   12.343   43.925   9.3578   40.598   10.702   54.732   19.286  106.500   14.930  121.486   23.788 -14.98611 28.08486 
1 1 1   -4   60   11 o   78.776   17.487   22.830   9.2858   19.468   11.797   28.307   15.056   73.016   21.731   87.037   24.146 -14.02037 32.48487 
1 1 1   -4   62    1 f  229.154   6.4111  182.029   10.168  165.118   13.926  201.336   14.881  218.052   9.2279  240.809   8.9284 -22.75703 12.84021 
1 1 1   -4   62    2 o  140.531   9.4582   68.908   9.1458   70.392   12.817   67.368   13.054  141.493   13.242  138.295   13.824 3.197968 19.14293 
1 1 1   -4   62    3 o   82.836   15.070   24.708   8.3214   33.732   11.415   14.475   12.156   96.603   17.726   66.126   22.353 30.47738 28.52812 
1 1 1   -4   62    4 o   84.184   14.363   25.433   8.0684   28.283   10.970   22.074   11.908   88.102   18.576   77.829   21.428 10.27212 28.35919 
1 1 1   -4   62    5 o   85.439   16.177   26.403   9.2158   33.493   14.260   21.319   12.077   95.408   22.039   76.599   21.759 18.80817 30.97074 
1 1 1   -4   62    6 o  242.512   6.2760  203.948   10.534  205.141   14.679  202.681   15.126  242.984   8.7285  241.486   9.0501 1.497833 12.57343 
1 1 1   -4   62    7 o  159.975   8.2463   89.145   9.0994   93.452   12.328   83.989   13.487  163.405   10.964  154.560   12.721 8.845428 16.79384 
1 1 1   -4   62    8 o  298.092   8.2978  308.849   17.119  297.610   24.339  319.854   24.084  291.914   12.047  302.751   11.494 -10.83679 16.65041 
1 1 1   -4   62    9 o   93.203   13.215   31.015   8.2859   36.503   11.090   24.081   12.466  100.495   16.519   80.695   21.804 19.80008 27.35480 
1 1 1   -4   62   10 o   71.257   16.470   18.653   7.9597   27.135   10.715   8.2100   11.889   85.786   18.585   56.616   21.688 29.16921 28.56113 
1 1 1   -4   64    1 o  190.947   7.2169  126.495   9.5376  112.582   12.887  143.347   14.183  179.598   10.412  203.023   10.093 -23.42514 14.50116 
1 1 1   -4   64    2 o  175.037   8.8497  106.706   10.686  109.148   12.745  100.927   19.608  176.811   10.462  168.747   17.021 8.063736 19.97903 
1 1 1   -4   64    3 o   65.947   17.448   15.829   8.0873   17.873   10.944   13.370   12.004   70.531   20.917   64.247   22.200 6.283920 30.50178 
1 1 1   -4   64    4 o  277.649   5.8216  267.259   11.187  286.746   15.759  247.464   15.883  287.370   7.9235  266.882   8.5988 20.48862 11.69281 
1 1 1   -4   64    5 o  283.030   6.6445  277.911   13.016  277.936   15.601  277.854   23.608  282.887   7.9683  282.181   12.088 0.7051697 14.47819 
1 1 1   -4   64    6 o  278.034   5.9558  268.093   11.461  277.609   15.864  257.706   16.575  282.663   8.1092  272.245   8.7965 10.41763 11.96403 
1 1 1   -4   64    7 o  161.125   8.2293   90.479   9.1464   80.749   12.367  102.225   13.589  151.591   11.883  170.730   11.568 -19.13899 16.58381 
1 1 1   -4   64    8 o  153.401   8.5431   82.122   9.0343   75.175   12.089   90.910   13.596  146.124   12.061  160.727   12.316 -14.60307 17.23816 
1 1 1   -4   64    9 o  126.385   9.9242   56.066   8.6112   51.914   11.863   60.689   12.519  120.605   14.503  130.634   14.068 -10.02963 20.20549 
1 1 1   -4   66    1 o  271.600   6.9833  255.983   13.127  273.781   15.948  218.585   23.117  280.735   8.2078  249.697   13.426 31.03789 15.73597 
1 1 1   -4   66    2 o   95.098   13.308   32.211   8.5194   32.023   11.729   32.422   12.396   93.662   18.747   94.070   19.671 -0.4083252 27.17383 
1 1 1   -4   66    3 o  198.936   8.3144  137.520   11.448  155.073   20.081  129.070   13.934  210.033   13.893  192.208   10.514 17.82509 17.42265 
1 1 1   -4   66    4 o  183.338   7.3471  116.712   9.3228  112.079   12.936  121.719   13.447  179.050   10.485  186.621   10.453 -7.570969 14.80538 
1 1 1   -4   66    5 o   44.293   17.713   3.5416   8.2196   12.833   11.220  -7.2186   12.075   62.462   21.470   41.684   18.989 20.77798 28.66275 
1 1 1   -4   66    6 o  272.408   6.9016  257.669   13.012  280.248   15.929  212.390   22.558  283.910   8.1067  245.843   13.307 38.06740 15.58190 
1 1 1   -4   66    7 f   47.104   18.904   3.9809   9.3987   7.5991   11.191  -4.6795   17.314   54.856   21.034   53.242   23.612 1.613380 31.62218 
1 1 1   -4   66    8 o   63.213   18.126   14.577   8.3413   3.5566   11.127   28.717   12.603   49.662   20.333   87.728   21.030 -38.06669 29.25222 
1 1 1   -4   68    1 o  109.031   13.940   42.317   10.278   56.341   17.400   34.801   12.738  124.235   20.984   97.416   19.572 26.81870 28.69488 
1 1 1   -4   68    2 o  159.336   8.3680   88.513   9.1958   76.621   13.076  100.150   12.935  147.419   12.947  169.057   11.117 -21.63835 17.06482 
1 1 1   -4   68    3 o   96.696   15.303   33.650   9.9003   17.790   16.964   41.841   12.192   74.202   26.335  107.665   16.919 -33.46325 31.30128 
1 1 1   -4   68    4 o   95.999   15.729   33.269   10.089   35.712   17.521   32.057   12.340   97.492   25.628   93.265   19.733 4.227386 32.34507 
1 1 1   -4   68    5 o  231.019   6.4703  185.296   10.345  201.287   14.667  169.463   14.595  240.445   8.8134  220.502   9.5632 19.94316 13.00504 
1 1 1   -4   68    6 o  171.603   9.0012  102.884   10.653   95.256   12.940  118.927   18.767  164.614   11.429  183.075   14.941 -18.46100 18.81110 
1 1 1   -4   70    1 o  155.408   12.416   85.113   13.243   85.113   13.243   0.0000   0.0000  155.408   12.416  ?   ?  0.000000 12.41618 
1 1 1   -4   70    2 o   47.678   18.614   5.1075   8.8820   9.1022   12.829   1.4300   12.309   59.036   22.549   49.587   20.927 9.449600 30.76362 
1 1 1   -4   70    3 o  134.486   9.7961   63.418   9.0554   65.834   12.684   60.908   12.932  136.222   13.637  130.752   14.537 5.469986 19.93158 
1 1 1   -4   70    4 o  137.070   9.7885   65.893   9.2251   81.006   12.956   50.353   13.138  151.467   12.470  118.150   16.519 33.31784 20.69666 
1 1 1   -3    1    1 o  2751.60   18.260 26211.30  347.741 26182.42  491.125 26240.34  492.438  2749.54   25.808  2752.57   25.848 -3.036377 36.52668 
1 1 1   -3    1    2 o  1248.83   8.6944  5397.51   75.149  5394.95  106.212  5400.08  106.340  1248.47   12.292  1249.07   12.301 -0.5933838 17.38965 
1 1 1   -3    1    3 o  1015.16   8.4184  3566.63   59.148  3589.86   72.924  3521.95  101.123  1018.44   10.346  1008.69   14.485 9.745605 17.80004 
1 1 1   -3    1    4 o  791.650   6.9366  2168.92   38.006  2172.44   46.630  2161.95   65.598  792.279   8.5038  790.325   11.992 1.954468 14.70146 
1 1 1   -3    1    5 o  2175.18   14.574 16379.03  219.411 16667.45  316.319 16111.58  304.602  2193.85   20.832  2156.99   20.404 36.86255 29.15991 
1 1 1   -3    1    6 o  2844.69   18.898 28026.10  372.065 28124.73  528.327 27929.05  524.059  2848.54   26.798  2838.64   26.674 9.905762 37.81078 
1 1 1   -3    1    7 o  480.334   5.3165  798.520   17.674  807.317   30.673  794.147   21.625  482.916   9.1772  479.003   6.5230 3.913208 11.25928 
1 1 1   -3    1    8 o  240.488   4.4799  200.168   7.4566  213.907   10.787  187.595   10.319  248.587   6.2695  232.795   6.4047 15.79176 8.962524 
1 1 1   -3    1    9 o  891.073   6.6925  2748.44   41.274  2780.95   59.002  2717.28   57.758  896.209   9.5122  885.895   9.4200 10.31396 13.38729 
1 1 1   -3    1   10 o  891.540   6.7183  2751.13   41.455  2783.26   59.227  2720.28   58.043  896.643   9.5439  886.442   9.4607 10.20056 13.43842 
1 1 1   -3    1   11 o  1573.37   12.490  8571.28  136.015  8443.90  231.723  8638.23  168.001  1560.80   21.451  1579.28   15.370 -18.47998 26.38902 
1 1 1   -3    1   12 o  875.135   6.6829  2650.76   40.478  2687.19   57.975  2616.11   56.539  881.052   9.5075  869.326   9.3970 11.72614 13.36776 
1 1 1   -3    1   13 o  913.834   8.0008  2890.83   50.603  2878.05   87.206  2897.32   62.134  911.518   13.823  914.784   9.8137 -3.265747 16.95243 
1 1 1   -3    1   14 o  1210.64   8.6524  5074.55   72.498  5062.60  102.288  5086.61  102.769  1208.90   12.225  1211.76   12.254 -2.860229 17.30926 
1 1 1   -3    1   15 o  491.871   5.1946  837.459   17.684  833.834   25.112  841.024   24.908  490.739   7.3935  492.853   7.3019 -2.114532 10.39143 
1 1 1   -3    1   16 o  183.910   6.8002  117.132   8.6558  118.495   12.295  115.792   12.188  184.657   9.6537  182.531   9.6822 2.125793 13.67259 
1 1 1   -3    1   17 o  280.013   6.2506  271.589   12.114  272.098   20.680  271.323   14.947  280.025   10.670  279.808   7.7180 0.2171021 13.16882 
1 1 1   -3    1   18 o  411.071   5.0749  585.269   14.439  579.508   20.338  591.124   20.501  408.864   7.1871  412.943   7.1732 -4.078766 10.15432 
1 1 1   -3    1   19 o  291.515   6.2563  294.606   12.623  303.512   22.084  290.284   15.383  295.369   10.803  289.238   7.6845 6.130920 13.25728 
1 1 1   -3    1   20 o  146.557   8.4176   74.892   8.5025   76.846   11.946   72.885   12.105  147.943   11.764  143.964   12.265 3.979065 16.99481 
1 1 1   -3    1   21 o   95.951   11.672   32.663   7.5918   31.211   10.962   34.001   10.524   92.355   17.795   96.873   16.274 -4.518097 24.11436 
1 1 1   -3    1   22 o  104.703   12.834   39.156   9.1054   31.419   11.010   55.902   16.197   92.263   17.887  123.215   19.654 -30.95219 26.57476 
1 1 1   -3    3    1 o  1181.58   8.2787  4831.84   67.702  4715.09   93.318  4961.58   98.374  1167.18   11.552  1197.29   11.871 -30.11450 16.56425 
1 1 1   -3    3    3 o  1286.16   17.870  5726.83  159.069   0.0000   0.0000  5726.83  159.069  ?   ?   1286.16   17.870 0.000000 17.86958 
1 1 1   -3    3    4 o  1123.27   7.9550  4366.73   61.845  4374.58   71.502  4343.42  123.225  1124.27   9.1891  1120.12   15.895 4.145874 18.35987 
1 1 1   -3    3    5 o  2219.48   17.155 17055.36  263.526 17004.88  455.024 17080.84  323.256  2215.11   29.680  2220.86   21.030 -5.750000 36.37540 
1 1 1   -3    3    6 o  1396.44   13.658  6751.22  132.007   0.0000   0.0000  6751.22  132.007  ?   ?   1396.44   13.658 0.000000 13.65829 
1 1 1   -3    3    7 o  626.085   5.2372  1356.65   22.694  1374.80   32.432  1339.23   31.767  630.221   7.4355  622.017   7.3789 8.203857 10.47544 
1 1 1   -3    3    8 o  1704.55   13.411 10067.45  158.215 10104.43  194.499  9995.12  272.019  1707.12   16.462  1696.26   23.170 10.85864 28.42260 
1 1 1   -3    3    9 o  1003.84   7.3380  3488.26   50.982  3497.16   72.288  3479.45   71.913  1004.97   10.393  1002.42   10.365 2.546814 14.67835 
1 1 1   -3    3   10 f  879.699   7.6726  2678.69   46.715  2708.12   57.826  2623.42   79.260  884.461   9.4464  870.365   13.158 14.09570 16.19746 
1 1 1   -3    3   11 o  353.183   4.6179  431.696   11.288  414.203   15.796  449.952   16.137  345.940   6.5974  360.560   6.4665 -14.62064 9.238060 
1 1 1   -3    3   12 o  464.295   4.8923  746.063   15.721  736.544   22.152  755.722   22.315  461.303   6.9382  467.270   6.9001 -5.967468 9.785168 
1 1 1   -3    3   13 o  954.231   7.1422  3151.86   47.169  3149.24   66.674  3154.49   66.741  953.710   10.101  954.505   10.103 -0.7944336 14.28617 
1 1 1   -3    3   14 o  752.139   7.0948  1958.37   36.933  1982.54   45.587  1912.19   63.004  756.700   8.7045  742.963   12.253 13.73639 15.02973 
1 1 1   -3    3   15 o  180.257   6.9859  112.497   8.7155  117.964   12.475  107.284   12.181  184.281   9.8163  175.699   10.059 8.581924 14.05512 
1 1 1   -3    3   16 o  387.741   5.8328  520.555   15.653  515.557   19.272  530.244   26.833  385.820   7.2171  391.132   9.9122 -5.312744 12.26127 
1 1 1   -3    3   17 o  386.626   5.0843  517.607   13.605  517.131   19.438  518.064   19.049  386.322   7.2697  386.681   7.1176 -0.3585510 10.17398 
1 1 1   -3    3   18 o  212.523   6.1706  156.501   9.0763  147.468   12.870  165.439   12.802  206.147   9.0205  218.383   8.4697 -12.23573 12.37359 
1 1 1   -3    3   19 o   83.918   13.843   25.216   7.7597   22.961   11.265   27.252   10.705   79.224   20.416   86.478   18.447 -7.254265 27.51592 
1 1 1   -3    3   20 o   71.101   18.045   18.520   8.8947   22.148   10.827   10.985   15.601   77.614   20.023   65.119   24.867 12.49544 31.92612 
1 1 1   -3    3   21 o   61.313   17.395   13.674   7.7230  -9.8554   11.018   36.399   10.828   37.364   17.415  100.340   16.139 -62.97604 23.74362 
1 1 1   -3    3   22 o   50.277   17.741   8.0524   7.6882   9.8501   10.698   6.1322   11.056   56.936   20.820   52.417   20.676 4.518627 29.34224 
1 1 1   -3    5    1 o  665.368   5.2577  1532.10   24.212  1538.91   34.360  1525.38   34.124  666.835   7.4448  663.897   7.4265 2.938049 10.51566 
1 1 1   -3    5    3 o  1604.28   12.612  8908.39  140.032  8873.14  170.867  8980.49  244.372  1601.02   15.420  1610.42   21.925 -9.396606 26.80434 
1 1 1   -3    5    4 f  2561.14   17.058 22708.96  302.365 22591.46  425.077 22829.30  430.187  2553.98   24.048  2567.38   24.210 -13.39404 34.12334 
1 1 1   -3    5    5 o  1243.00   8.7026  5347.41   74.868  5338.19   86.234  5375.61  150.874  1241.90   10.033  1246.02   17.495 -4.124146 20.16739 
1 1 1   -3    5    6 o  1054.23   7.5848  3846.58   55.342  3885.76   64.523  3737.56  107.642  1059.55   8.7986  1038.97   14.969 20.58752 17.36371 
1 1 1   -3    5    7 o  759.276   5.9160  1995.34   31.089  1957.41   43.218  2036.02   44.755  751.964   8.3040  766.911   8.4317 -14.94672 11.83432 
1 1 1   -3    5    8 o  233.127   4.4721  188.102   7.2157  193.573   10.183  182.584   10.226  236.477   6.2216  229.664   6.4336 6.812164 8.949835 
1 1 1   -3    5    9 o  636.316   7.5205  1401.61   33.121  1384.88   46.377  1419.02   47.317  632.410   10.596  640.156   10.680 -7.745911 15.04388 
1 1 1   -3    5   10 o  817.191   6.3142  2311.35   35.712  2347.40   51.223  2277.25   49.816  823.469   8.9876  811.076   8.8741 12.39337 12.63041 
1 1 1   -3    5   11 o  772.614   6.1041  2065.99   32.641  2110.74   47.051  2024.47   45.319  780.884   8.7058  764.763   8.5620 16.12103 12.21059 
1 1 1   -3    5   12 o  1027.96   10.655  3658.42   75.808   0.0000   0.0000  3658.42   75.808  ?   ?   1027.96   10.655 0.000000 10.65517 
1 1 1   -3    5   13 o  1180.39   8.4496  4823.47   69.030  4887.82   98.940  4762.44   96.358  1188.01   12.033  1172.69   11.872 15.32397 16.90388 
1 1 1   -3    5   14 o  771.307   6.2315  2059.30   33.266  2072.20   47.287  2046.66   46.806  773.613   8.8317  768.832   8.7962 4.781189 12.46482 
1 1 1   -3    5   15 o  487.585   7.3004  823.153   24.636  823.153   24.636   0.0000   0.0000  487.585   7.3004  ?   ?  0.000000 7.300365 
1 1 1   -3    5   16 o  291.275   5.3508  293.734   10.787  292.810   15.265  294.657   15.245  290.747   7.5858  291.664   7.5521 -0.9170227 10.70414 
1 1 1   -3    5   17 f  224.776   5.9572  174.995   9.2676  171.275   13.116  178.704   13.097  222.273   8.5258  227.051   8.3343 -4.778320 11.92263 
1 1 1   -3    5   18 o  397.143   5.0848  546.292   13.976  550.180   20.086  542.643   19.460  398.368   7.2850  395.647   7.1066 2.720703 10.17715 
1 1 1   -3    5   19 o  327.068   5.2516  370.662   11.888  386.625   16.931  355.139   16.696  333.836   7.3278  319.931   7.5400 13.90546 10.51419 
1 1 1   -3    5   20 o  127.816   9.0702   57.102   7.9717   52.543   11.349   61.542   11.200  121.779   13.703  132.171   12.388 -10.39130 18.47250 
1 1 1   -3    5   21 f  126.403   13.261   56.660   11.429   56.660   11.429   0.0000   0.0000  126.403   13.261  ?   ?  0.000000 13.26128 
1 1 1   -3    5   22 o   29.514   14.037  -9.6164   7.8312  -6.9717   11.097 -12.2401   11.053   39.436   18.056   35.702   16.890 3.733948 24.72458 
1 1 1   -3    7    1 o  1384.67   9.5372  6635.74   91.400  6493.37  126.260  6792.49  132.483  1369.66   13.319  1400.85   13.664 -31.18372 19.08179 
1 1 1   -3    7    2 f  623.869   5.8355  1346.95   25.197  1340.26   30.810  1360.49   43.786  622.309   7.1532  626.968   10.090 -4.659485 12.36873 
1 1 1   -3    7    3 o  1725.92   11.707 10310.20  139.841 10299.06  197.571 10321.38  197.960  1724.82   16.550  1726.69   16.565 -1.868042 23.41576 
1 1 1   -3    7    4 f  3422.68   22.644 40570.63  536.415 40396.68  754.709 40748.22  762.564  3414.04   31.940  3428.83   32.133 -14.79126 45.30671 
1 1 1   -3    7    5 o  1622.03   15.648  9108.76  175.673   0.0000   0.0000  9108.76  175.673  ?   ?   1622.03   15.648 0.000000 15.64836 
1 1 1   -3    7    6 o  827.217   7.2625  2368.36   41.580  2384.18   51.157  2337.56   71.377  829.945   8.9059  821.705   12.551 8.240417 15.38931 
1 1 1   -3    7    7 o  269.068   4.2925  250.561   7.9937  251.257   9.1863  248.390   16.223  269.437   4.9261  267.860   8.7508 1.577545 10.04211 
1 1 1   -3    7    8 o  468.816   4.6026  760.708   14.934  773.952   21.320  747.950   20.926  472.844   6.5148  464.833   6.5044 8.010559 9.205999 
1 1 1   -3    7    9 f  749.847   6.8909  1946.26   35.762  1884.50   42.360  2099.51   66.728  737.812   8.2953  778.593   12.383 -40.78070 14.90454 
1 1 1   -3    7   10 o  1193.41   8.4763  4930.01   70.011  5036.51  101.218  4832.32   96.943  1206.05   12.126  1181.36   11.857 24.68518 16.95924 
1 1 1   -3    7   11 o  738.785   6.8235  1889.09   34.890  1934.15   61.495  1867.70   42.370  747.419   11.888  734.561   8.3340 12.85822 14.51798 
1 1 1   -3    7   12 o  637.288   5.4858  1405.63   24.197  1440.63   34.977  1373.50   33.508  645.135   7.8334  629.928   7.6858 15.20679 10.97423 
1 1 1   -3    7   13 f  1062.34   8.9761  3907.15   65.998  4032.20  118.202  3850.50   79.553  1078.71   15.832  1054.50   10.900 24.21240 19.22163 
1 1 1   -3    7   14 o  186.087   6.6331  119.872   8.5429  115.764   12.185  123.843   11.981  182.582   9.6767  189.118   9.1535 -6.535324 13.32011 
1 1 1   -3    7   15 o  810.653   6.4405  2275.12   36.135  2293.70   51.454  2257.04   50.758  813.779   9.1357  807.253   9.0848 6.525696 12.88389 
1 1 1   -3    7   16 o  391.353   5.0582  530.239   13.701  546.197   19.677  515.223   19.087  397.112   7.1594  385.689   7.1504 11.42371 10.11853 
1 1 1   -3    7   17 o  452.170   5.8752  708.151   18.387  700.976   31.492  711.862   22.647  449.490   10.123  453.253   7.2194 -3.762848 12.43352 
1 1 1   -3    7   18 o  312.805   5.1958  338.924   11.249  358.919   16.420  321.244   15.441  321.746   7.3739  304.395   7.3292 17.35123 10.39666 
1 1 1   -3    7   19 o   94.893   13.588   32.053   8.6692   16.293   14.798   40.288   10.697   70.977   24.641  106.335   14.948 -35.35801 28.82061 
1 1 1   -3    7   20 o   96.966   11.671   33.274   7.6754   40.686   10.983   26.198   10.731  106.612   15.325   84.482   18.833 22.13065 24.28025 
1 1 1   -3    7   21 o  227.883   6.2003  180.272   9.7791  183.491   13.802  177.027   13.857  229.563   8.6871  225.452   8.8806 4.110931 12.42304 
1 1 1   -3    7   22 o   60.333   17.890   13.272   8.0057   9.1692   11.378   17.294   11.267   56.793   21.340   68.835   21.391 -12.04244 30.21564 
1 1 1   -3    9    1 o  2978.32   19.741 30711.81  406.926 30871.84  578.861 30555.46  572.159  2985.31   28.016  2969.99   27.835 15.31714 39.49258 
1 1 1   -3    9    2 o  610.205   5.0100  1288.58   21.159  1301.72   30.131  1275.81   29.719  613.297   7.0985  607.162   7.0722 6.135498 10.02021 
1 1 1   -3    9    4 o  913.432   6.7275  2887.56   42.531  2799.73   58.388  2986.84   62.078  899.403   9.3797  928.968   9.6552 -29.56427 13.46110 
1 1 1   -3    9    5 o  675.516   11.015  1579.51   51.497   0.0000   0.0000  1579.51   51.497  ?   ?   675.516   11.015 0.000000 11.01460 
1 1 1   -3    9    6 o  883.875   7.6286  2704.00   46.667  2718.61   57.266  2675.12   80.519  886.219   9.3364  878.980   13.236 7.238525 16.19719 
1 1 1   -3    9    7 f  824.407   6.2847  2352.51   35.860  2344.97   41.191  2376.10   72.877  823.054   7.2310  828.232   12.713 -5.177673 14.62600 
1 1 1   -3    9    8 o  508.755   6.7386  895.987   23.728  895.987   23.728   0.0000   0.0000  508.755   6.7386  ?   ?  0.000000 6.738628 
1 1 1   -3    9    9 o  727.452   6.7433  1831.70   33.951  1842.51   41.635  1810.24   58.655  729.555   8.2457  723.013   11.721 6.541565 14.33124 
1 1 1   -3    9   10 o  1031.67   8.6638  3684.32   61.863  3709.27  107.449  3671.94   75.661  1034.86   15.002  1029.86   10.615 4.995972 18.37740 
1 1 1   -3    9   11 o  587.509   7.4324  1194.70   30.222  1194.70   30.222   0.0000   0.0000  587.509   7.4324  ?   ?  0.000000 7.432384 
1 1 1   -3    9   12 o  223.375   7.6485  172.711   11.825  172.711   11.825   0.0000   0.0000  223.375   7.6485  ?   ?  0.000000 7.648524 
1 1 1   -3    9   13 o  745.904   6.0449  1925.75   31.207  1957.59   44.821  1895.79   43.476  751.967   8.6121  740.006   8.4886 11.96039 12.09233 
1 1 1   -3    9   14 o  355.352   5.7309  437.089   14.095  461.509   17.865  396.829   22.939  365.120   7.0696  338.512   9.7908 26.60855 12.07640 
1 1 1   -3    9   15 o  364.529   5.0294  459.970   12.689  464.494   18.029  455.530   17.862  366.266   7.1119  362.715   7.1153 3.551361 10.06014 
1 1 1   -3    9   16 o  133.312   10.111   61.964   9.2597   59.443   11.215   67.366   16.414  130.278   12.595  138.055   17.577 -7.777054 21.62351 
1 1 1   -3    9   17 o  152.551   7.4862   80.651   7.9041   84.817   11.553   76.983   10.838  155.954   10.769  148.559   10.610 7.394592 15.11795 
1 1 1   -3    9   18 o  234.636   5.7599  190.744   9.3538  206.729   13.583  176.328   12.900  244.132   8.0390  225.453   8.2670 18.67911 11.53123 
1 1 1   -3    9   19 o  106.663   10.043   39.907   7.3269   31.712   10.446   47.844   10.280   93.747   16.712  116.408   12.980 -22.66096 21.16066 
1 1 1   -3    9   20 o  208.958   6.2708  151.477   9.0690  151.993   12.941  150.980   12.713  209.044   8.9448  208.361   8.8154 0.6826477 12.55864 
1 1 1   -3    9   21 o   48.605   17.386   7.2236   7.4082   11.978   10.673   2.8028   10.291   60.400   20.929   47.286   19.479 13.11439 28.59170 
1 1 1   -3   11    1 o  1690.46   13.243  9891.44  154.945  9690.22  185.484 10356.10  281.866  1673.09   16.018  1729.27   23.551 -56.18457 28.48179 
1 1 1   -3   11    2 o  1458.18   10.018  7359.19  101.106  7339.49  142.535  7379.14  143.441  1456.13   14.143  1460.05   14.195 -3.926636 20.03791 
1 1 1   -3   11    3 o  2031.92   13.666 14291.52  192.187 14082.07  267.297 14515.69  276.526  2016.70   19.150  2047.49   19.514 -30.79248 27.34066 
1 1 1   -3   11    4 o  337.635   7.6974  394.537   17.987  394.537   17.987   0.0000   0.0000  337.635   7.6974  ?   ?  0.000000 7.697369 
1 1 1   -3   11    6 o  544.826   4.8572  1027.31   18.316  1016.24   25.643  1038.83   26.169  541.859   6.8377  547.848   6.9017 -5.988464 9.715295 
1 1 1   -3   11    7 o  1073.27   8.9333  3988.31   66.359  3933.99   79.981  4108.29  118.871  1065.80   10.843  1088.69   15.776 -22.88745 19.14270 
1 1 1   -3   11    8 o  746.889   5.9102  1930.89   30.552  1963.51   35.692  1841.46   59.094  753.143   6.8473  729.147   11.710 23.99615 13.56484 
1 1 1   -3   11    9 o  580.893   5.1729  1167.87   20.797  1156.34   23.710  1206.34   43.311  578.008   5.9267  590.265   10.602 -12.25775 12.14587 
1 1 1   -3   11   10 o  246.133   8.9195  209.707   15.194  209.707   15.194   0.0000   0.0000  246.133   8.9195  ?   ?  0.000000 8.919493 
1 1 1   -3   11   11 o  1342.18   9.4123  6235.94   87.435  6312.92  102.111  6024.39  169.275  1350.36   10.926  1318.62   18.548 31.73840 21.52658 
1 1 1   -3   11   12 o  1011.52   7.4488  3541.56   52.148  3612.74   75.228  3475.73   72.353  1021.50   10.640  1001.96   10.434 19.54767 14.90231 
1 1 1   -3   11   13 o  608.136   5.4169  1280.03   22.800  1294.95   32.617  1265.78   31.883  611.616   7.7053  604.691   7.6180 6.925598 10.83541 
1 1 1   -3   11   14 o  937.102   8.1866  3040.51   53.097  3051.22   92.969  3035.32   64.684  938.251   14.317  936.184   9.9829 2.066895 17.45358 
1 1 1   -3   11   15 o  514.911   5.1702  917.794   18.425  943.635   26.468  893.498   25.665  522.028   7.3258  507.972   7.3001 14.05618 10.34209 
1 1 1   -3   11   16 o  184.888   7.5103  118.418   9.6105  107.951   16.392  123.900   11.863  175.801   13.577  189.074   9.0656 -13.27315 16.32561 
1 1 1   -3   11   17 o  330.337   5.1391  377.894   11.750  393.696   16.659  362.253   16.574  337.062   7.1411  323.306   7.4070 13.75677 10.28872 
1 1 1   -3   11   18 o  395.919   7.1870  543.484   19.694  543.484   19.694   0.0000   0.0000  395.919   7.1870  ?   ?  0.000000 7.187040 
1 1 1   -3   11   19 o  115.092   10.583   46.475   8.3356   47.506   10.619   44.820   13.454  115.885   13.493  111.564   18.040 4.321922 22.52752 
1 1 1   -3   11   20 o  300.323   6.2265  312.909   12.942  327.122   22.974  306.302   15.664  306.287   10.838  296.950   7.6216 9.337830 13.24935 
1 1 1   -3   11   21 o  126.673   9.1929   56.215   8.0047   51.888   11.288   60.593   11.353  120.740   13.753  130.839   12.697 -10.09892 18.71801 
1 1 1   -3   13    1 o  1432.36   9.8600  7100.91   97.747  7043.15  136.943  7160.89  139.565  1426.43   13.871  1438.30   14.020 -11.86938 19.72239 
1 1 1   -3   13    2 o  1994.57   13.409 13770.92  185.110 13778.50  261.949 13763.35  261.622  1994.86   18.973  1993.76   18.959 1.096069 26.82199 
1 1 1   -3   13    3 f  1402.08   11.159  6804.27  108.287  6692.68  183.943  6863.45  133.960  1390.27   19.117  1408.09   13.746 -17.82678 23.54539 
1 1 1   -3   13    4 o  1521.15   12.058  8009.70  126.947  8034.43  155.869  7960.98  218.785  1523.39   14.783  1516.09   20.850 7.298462 25.55944 
1 1 1   -3   13    5 o  1507.97   10.354  7871.55  108.059  7811.14  151.566  7933.99  154.102  1501.95   14.580  1513.71   14.709 -11.75708 20.71097 
1 1 1   -3   13    6 o  935.163   6.8929  3027.06   44.614  2999.87   62.498  3055.31   63.706  930.849   9.7009  939.406   9.7983 -8.557617 13.78815 
1 1 1   -3   13    7 o  1145.62   8.1675  4543.94   64.760  4581.46   92.173  4507.37   91.007  1150.07   11.580  1140.73   11.527 9.332886 16.33899 
1 1 1   -3   13    8 o  762.417   5.9863  2011.98   31.588  2024.43   36.535  1975.12   62.871  764.745   6.9026  755.160   12.029 9.584778 13.86881 
1 1 1   -3   13    9 o  751.218   5.9705  1953.20   31.042  1958.68   35.801  1936.58   62.315  752.252   6.8762  747.836   12.039 4.415527 13.86473 
1 1 1   -3   13   10 o  606.689   5.3053  1273.86   22.277  1251.06   25.242  1354.15   47.368  601.226   6.0662  625.413   10.943 -24.18658 12.51195 
1 1 1   -3   13   11 o  328.754   5.5784  374.057   12.693  378.574   15.235  363.805   22.951  330.725   6.6556  324.175   10.229 6.550140 12.20404 
1 1 1   -3   13   12 f  561.660   6.0797  1091.86   23.634  1095.18   28.702  1084.88   41.651  562.490   7.3725  559.762   10.751 2.727722 13.03596 
1 1 1   -3   13   13 o  619.924   6.4099  1330.24   27.502  1330.24   27.502   0.0000   0.0000  619.924   6.4099  ?   ?  0.000000 6.409890 
1 1 1   -3   13   14 o  555.874   6.1624  1069.63   23.708  1067.03   28.779  1075.12   41.823  555.157   7.4900  557.117   10.847 -1.959961 13.18143 
1 1 1   -3   13   15 o  552.964   6.0647  1058.62   23.210  1091.22   40.580  1042.76   28.296  561.163   10.448  548.744   7.4503 12.41852 12.83255 
1 1 1   -3   13   16 o  736.841   6.0754  1880.22   30.983  1870.59   43.748  1889.92   43.886  734.684   8.6036  738.472   8.5864 -3.788269 12.15516 
1 1 1   -3   13   17 o  344.164   5.0668  410.194   12.069  431.146   17.347  390.537   16.802  352.721   7.1060  335.691   7.2319 17.03003 10.13886 
1 1 1   -3   13   18 o  318.722   5.1479  351.892   11.356  342.888   16.019  360.989   16.100  314.452   7.3604  322.658   7.2097 -8.206757 10.30319 
1 1 1   -3   13   19 o   62.413   16.068   14.170   6.9823   12.603   9.8978   15.723   9.8514   61.049   20.161   66.354   19.884 -5.305012 28.31673 
1 1 1   -3   13   20 o  227.626   6.0387  179.741   9.5136  182.774   13.491  176.742   13.417  229.264   8.5024  225.437   8.5994 3.827728 12.09295 
1 1 1   -3   13   21 f  121.913   11.464   52.469   9.5593   34.341   18.038   59.549   11.272   95.207   26.435  129.665   12.725 -34.45795 29.33785 
1 1 1   -3   15    1 o  2142.30   16.584 15888.84  245.895 15936.56  302.088 15795.12  423.311  2145.29   20.346  2135.08   28.646 10.20630 35.13618 
1 1 1   -3   15    2 o  844.239   8.9471  2466.80   52.278  2466.80   52.278   0.0000   0.0000  844.239   8.9471  ?   ?  0.000000 8.947067 
1 1 1   -3   15    3 o  1772.23   12.013 10871.88  147.350 10583.58  202.350 11197.35  214.994  1748.35   16.722  1798.31   17.274 -49.95007 24.04198 
1 1 1   -3   15    4 o  1013.88   7.3320  3557.73   51.450  3505.81   71.692  3612.88   73.879  1006.39   10.293  1021.64   10.448 -15.24768 14.66653 
1 1 1   -3   15    5 o  498.081   4.6142  858.580   15.906  862.614   22.473  854.530   22.517  499.231   6.5041  496.885   6.5476 2.345123 9.228955 
1 1 1   -3   15    6 o  1203.22   9.8013  5012.87   81.621  4870.01   97.133  5356.10  150.561  1185.79   11.835  1242.94   17.502 -57.14819 21.12802 
1 1 1   -3   15    7 o  1134.33   8.0918  4454.80   63.527  4491.12   90.495  4419.51   89.202  1138.69   11.483  1129.58   11.410 9.108887 16.18755 
1 1 1   -3   15    8 o  585.521   5.9995  1186.63   24.313  1179.93   29.442  1200.98   43.110  583.841   7.2860  588.934   10.576 -5.092407 12.84312 
1 1 1   -3   15    9 o  937.089   8.0150  3039.64   51.983  3071.47   63.852  2977.07   89.518  941.922   9.7945  927.148   13.950 14.77380 17.04533 
1 1 1   -3   15   10 o  1682.57   11.497  9801.54  133.886  9811.82  154.612  9770.73  267.700  1683.33   13.271  1678.77   23.040 4.561523 26.58864 
1 1 1   -3   15   11 o  828.555   9.0804  2376.41   52.072  2376.41   52.072   0.0000   0.0000  828.555   9.0804  ?   ?  0.000000 9.080418 
1 1 1   -3   15   12 o  492.838   7.0330  840.735   23.990  840.735   23.990   0.0000   0.0000  492.838   7.0330  ?   ?  0.000000 7.033031 
1 1 1   -3   15   13 o  1151.59   8.3115  4591.29   66.245  4643.72   77.235  4445.37  128.845  1158.06   9.6362  1132.41   16.439 25.64453 19.05540 
1 1 1   -3   15   14 o  425.745   5.8484  627.443   17.233  650.611   21.210  582.439   29.561  433.504   7.0692  410.059   10.416 23.44440 12.58834 
1 1 1   -3   15   15 o  549.688   6.4379  1046.22   24.493  1044.09   30.294  1050.24   41.619  549.046   7.9721  550.456   10.924 -1.410095 13.52378 
1 1 1   -3   15   16 o  452.023   5.8787  707.589   18.391  721.130   22.391  679.512   32.243  456.253   7.0908  442.612   10.525 13.64029 12.69101 
1 1 1   -3   15   17 o  219.856   6.3764  167.472   9.7027  165.519   11.151  173.561   19.688  218.526   7.3727  223.051   12.807 -4.524521 14.77760 
1 1 1   -3   15   18 o  411.028   7.1230  585.821   20.263  585.821   20.263   0.0000   0.0000  411.028   7.1230  ?   ?  0.000000 7.122979 
1 1 1   -3   15   19 o  240.937   6.1484  201.289   10.253  210.523   12.017  176.585   19.655  246.325   7.0489  224.590   12.697 21.73463 14.52213 
1 1 1   -3   15   20 o  242.753   12.560  206.683   21.030   0.0000   0.0000  206.683   21.030  ?   ?   242.753   12.560 0.000000 12.55990 
1 1 1   -3   15   21 o  119.286   10.582   50.120   8.6458   47.389   9.8172   59.561   18.251  115.564   12.472  127.003   21.533 -11.43841 24.88358 
1 1 1   -3   17    1 o  1957.89   13.188 13269.51  178.705 13225.95  251.819 13313.70  253.646  1954.37   18.617  1960.84   18.690 -6.468262 26.37989 
1 1 1   -3   17    2 o  261.964   8.2405  237.512   14.941   0.0000   0.0000  237.512   14.941  ?   ?   261.964   8.2405 0.000000 8.240474 
1 1 1   -3   17    3 o  986.559   7.1748  3368.56   48.991  3328.75   68.468  3410.32   70.128  980.657   10.088  992.596   10.208 -11.93933 14.35152 
1 1 1   -3   17    4 o  1821.00   12.335 11480.82  155.469 11184.52  213.504 11815.27  226.833  1796.95   17.167  1846.87   17.746 -49.91675 24.69035 
1 1 1   -3   17    6 o   80.417   11.155   22.827   6.0413   22.827   6.0413   0.0000   0.0000   80.417   11.155  ?   ?  0.000000 11.15489 
1 1 1   -3   17    7 o  556.338   4.9734  1071.25   19.150  1075.78   27.026  1066.68   27.139  557.470   7.0046  555.106   7.0638 2.364380 9.947981 
1 1 1   -3   17    8 o  1114.25   11.286  4299.06   87.033  4301.46  122.085  4296.58  124.106  1114.24   15.831  1113.59   16.102 0.6546631 22.58112 
1 1 1   -3   17    9 o  770.635   6.0696  2055.44   32.373  2081.49   37.549  1980.00   63.900  775.485   6.9960  756.199   12.209 19.28589 14.07151 
1 1 1   -3   17   10 o  899.581   6.7923  2800.89   42.290  2824.33   48.934  2731.71   84.057  903.314   7.8270  888.187   13.674 15.12744 15.75554 
1 1 1   -3   17   11 o  576.317   5.2593  1149.52   20.978  1153.50   23.988  1136.58   43.255  577.304   6.0037  572.963   10.908 4.340393 12.45087 
1 1 1   -3   17   12 o  198.080   6.9774  135.812   9.5656  132.440   11.126  145.366   18.729  195.596   8.2188  204.429   13.310 -8.832306 15.64283 
1 1 1   -3   17   13 o  616.369   6.3936  1315.07   27.275  1347.92   33.699  1252.68   46.442  623.976   7.8032  601.400   11.158 22.57654 13.61550 
1 1 1   -3   17   14 o  963.170   8.3711  3212.47   55.804  3330.86   70.390  3012.20   91.555  980.583   10.372  932.086   14.192 48.49652 17.57810 
1 1 1   -3   17   15 o  173.837   8.1098  104.678   9.7573  115.197   11.797   81.902   17.359  182.091   9.3930  152.628   16.706 29.46301 19.16513 
1 1 1   -3   17   16 o  200.658   8.3031  139.549   11.531  144.296   14.792  132.195   18.410  203.677   10.529  194.558   13.761 9.119034 17.32695 
1 1 1   -3   17   17 o  390.306   5.3217  527.640   14.376  537.776   16.693  498.537   28.285  393.981   6.1217  378.873   10.787 15.10818 12.40276 
1 1 1   -3   17   18 o  102.872   11.382   37.262   7.9682   30.986   9.1250   57.415   16.351   93.115   14.642  126.453   19.293 -33.33807 24.22063 
1 1 1   -3   17   19 o  107.123   10.995   40.386   8.0359   38.565   9.1686   46.420   16.690  104.303   12.982  112.463   22.230 -8.160072 25.74282 
1 1 1   -3   17   20 o   96.479   12.989   33.165   8.4529   32.850   9.9263   33.995   16.124   95.437   15.564   95.319   24.352 0.1179733 28.90070 
1 1 1   -3   17   21 o   59.059   18.251   12.472   8.2144   12.371   9.2755   12.839   17.686   59.630   19.509   68.758   26.424 -9.128174 32.84560 
1 1 1   -3   19    1 o  1524.95   10.465  8049.38  110.455  8036.25  156.041  8062.57  156.375  1523.53   14.798  1526.02   14.806 -2.492554 20.93319 
1 1 1   -3   19    2 o  1058.44   7.6083  3877.43   55.736  3756.10   76.310  4016.17   81.601  1041.68   10.584  1077.13   10.946 -35.44934 15.22628 
1 1 1   -3   19    3 o  751.872   6.7915  1956.57   35.341  1936.23   42.677  2000.98   63.048  747.928   8.2443  760.242   11.982 -12.31403 14.54455 
1 1 1   -3   19    4 o  807.748   6.1823  2258.25   34.562  2166.22   47.010  2366.53   50.989  791.054   8.5863  826.809   8.9104 -35.75494 12.37416 
1 1 1   -3   19    5 o  857.884   7.4216  2547.75   44.066  2498.52   53.179  2655.61   78.722  849.484   9.0449  875.540   12.991 -26.05597 15.82957 
1 1 1   -3   19    6 o  435.266   4.4716  655.718   13.471  641.081   18.737  671.379   19.381  430.352   6.2907  440.402   6.3583 -10.05081 8.944377 
1 1 1   -3   19    8 o  404.905   6.3342  567.448   17.751  567.448   17.751   0.0000   0.0000  404.905   6.3342  ?   ?  0.000000 6.334208 
1 1 1   -3   19    9 f  1096.30   9.1617  4160.41   69.516  4235.14   86.420  4023.41  117.012  1106.02   11.290  1077.79   15.686 28.22729 19.32647 
1 1 1   -3   19   10 o  647.690   5.4920  1451.87   24.619  1441.83   27.975  1486.34   51.843  645.437   6.2623  655.219   11.432 -9.782654 13.03494 
1 1 1   -3   19   11 o  1058.52   8.8730  3878.69   65.005  3878.69   65.005   0.0000   0.0000  1058.52   8.8730  ?   ?  0.000000 8.873032 
1 1 1   -3   19   12 o  197.856   6.1671  135.499   8.4452  146.285   9.5652   97.366   17.985  205.576   6.7227  166.882   15.758 38.69337 17.13226 
1 1 1   -3   19   13 o  344.189   5.8728  410.062   13.990  400.141   16.557  434.829   26.160  339.981   7.0362  354.328   10.667 -14.34686 12.77876 
1 1 1   -3   19   14 o  192.737   6.6549  128.611   8.8774  129.611   10.230  125.561   17.861  193.471   7.6401  189.807   13.688 3.663681 15.67617 
1 1 1   -3   19   15 o  470.391   5.2704  766.060   17.159  768.873   19.795  757.561   34.409  471.219   6.0697  467.449   10.636 3.770599 12.24577 
1 1 1   -3   19   16 o  340.357   5.2659  401.147   12.405  395.265   14.178  420.341   25.614  337.816   6.0641  348.049   10.633 -10.23364 12.24085 
1 1 1   -3   19   17 o  189.833   6.8403  124.899   8.9872  132.313   10.411  103.219   17.803  195.346   7.7004  171.404   15.163 23.94191 17.00664 
1 1 1   -3   19   18 o  150.906   8.2045   79.271   8.5369   80.393   9.9131   76.049   16.795  151.827   9.4811  146.398   16.885 5.428757 19.36487 
1 1 1   -3   19   19 o   52.953   19.042   8.4172   8.8979   2.6604   10.950   19.610   15.268   48.610   20.066   75.494   25.045 -26.88461 32.09220 
1 1 1   -3   19   20 o  139.259   9.1218   67.811   8.7433   66.798   10.084   70.878   17.550  137.952   10.644  140.206   18.540 -2.254532 21.37808 
1 1 1   -3   19   21 o  181.228   7.6012  114.310   9.5342  115.668   10.918  109.951   19.564  182.145   8.6610  175.247   16.317 6.898911 18.47336 
1 1 1   -3   21    1 o  1639.34   15.824  9307.08  179.537   0.0000   0.0000  9307.08  179.537  ?   ?   1639.34   15.824 0.000000 15.82366 
1 1 1   -3   21    2 o  1106.27   7.9012  4236.13   60.497  4159.88   83.962  4318.46   87.244  1096.16   11.067  1116.84   11.287 -20.68860 15.80731 
1 1 1   -3   21    3 o  424.612   4.4110  623.978   12.963  588.002   17.662  665.991   19.086  412.171   6.1913  438.653   6.2866 -26.48196 8.823464 
1 1 1   -3   21    4 o  463.342   6.4104  743.121   20.557  743.121   20.557   0.0000   0.0000  463.342   6.4104  ?   ?  0.000000 6.410351 
1 1 1   -3   21    6 o  704.999   8.0226  1720.65   39.146  1720.65   39.146   0.0000   0.0000  704.999   8.0226  ?   ?  0.000000 8.022637 
1 1 1   -3   21    7 o  709.431   6.5398  1742.02   32.111  1824.39   56.581  1702.89   39.000  725.865   11.263  701.381   8.0340 24.48389 13.83438 
1 1 1   -3   21    8 o  806.531   6.2446  2251.41   34.858  2246.18   49.139  2256.70   49.457  805.534   8.8138  807.417   8.8501 -1.882446 12.49029 
1 1 1   -3   21    9 o  982.493   14.700  3342.93   99.960   0.0000   0.0000  3342.93   99.960  ?   ?   982.493   14.700 0.000000 14.70008 
1 1 1   -3   21   10 o  560.820   6.0525  1088.56   23.493  1035.03   27.145  1248.29   46.892  546.841   7.1723  600.460   11.283 -53.61853 13.36988 
1 1 1   -3   21   11 o  731.616   5.9346  1852.61   30.051  1868.88   34.664  1803.42   60.287  734.802   6.8160  721.652   12.070 13.14972 13.86182 
1 1 1   -3   21   12 o  332.231   5.7031  382.043   13.114  381.985   15.420  382.195   24.929  332.193   6.7068  332.212   10.842 -0.1846313E-01 12.74869 
1 1 1   -3   21   13 o  645.856   7.9235  1444.23   35.418  1505.37   49.860  1381.95   50.321  659.236   10.928  631.602   11.511 27.63385 15.87239 
1 1 1   -3   21   14 o  343.205   7.6788  407.898   18.240  423.171   26.599  394.341   25.060  349.445   10.998  337.343   10.733 12.10196 15.36741 
1 1 1   -3   21   15 o  190.104   6.5756  125.161   8.6518  123.394   9.8791  130.976   17.922  188.734   7.5630  193.767   13.447 -5.033340 15.42820 
1 1 1   -3   21   16 o   33.235   15.208  -5.4544   7.8564  -5.4544   7.8564   0.0000   0.0000   33.235   15.208  ?   ?  0.000000 15.20809 
1 1 1   -3   21   17 o  189.763   8.4306  124.924   11.073  109.441   13.868  152.146   18.389  177.074   11.376  208.698   12.793 -31.62424 17.11937 
1 1 1   -3   21   18 o  258.938   5.8754  232.397   10.530  253.452   12.332  175.756   20.227  270.358   6.5907  224.101   13.098 46.25685 14.66272 
1 1 1   -3   21   19 f  116.098   10.363   47.312   8.2398   47.468   9.3454   46.771   17.464  116.047   11.800  112.521   23.195 3.526283 26.02431 
1 1 1   -3   21   20 o   98.047   13.038   34.276   8.6284   34.405   10.014   33.902   16.999   97.711   15.311   94.942   25.381 2.769249 29.64145 
1 1 1   -3   21   21 o  206.930   7.4375  149.043   10.652  148.098   12.459  151.610   20.535  206.047   8.7366  206.582   14.454 -0.5352478 16.88890 
1 1 1   -3   23    1 o  732.198   6.7024  1855.64   33.965  1876.66   41.943  1815.61   57.890  736.293   8.2307  724.107   11.551 12.18604 14.18360 
1 1 1   -3   23    2 o  648.937   5.3718  1457.54   24.127  1417.58   33.282  1501.78   35.025  639.933   7.5145  658.660   7.6831 -18.72717 10.74704 
1 1 1   -3   23    3 o  896.595   6.7025  2782.68   41.592  2674.39   56.597  2909.82   61.328  878.861   9.3045  916.709   9.6660 -37.84869 13.41663 
1 1 1   -3   23    4 o  1527.18   14.858  8083.43  157.051  8083.43  157.051   0.0000   0.0000  1527.18   14.858  ?   ?  0.000000 14.85845 
1 1 1   -3   23    5 o  582.526   5.9361  1174.56   23.933  1182.62   29.060  1157.56   42.192  584.492   7.1836  578.156   10.544 6.335510 12.75858 
1 1 1   -3   23    6 o  534.005   5.5856  986.973   20.644  937.561   33.585  1016.98   26.171  520.392   9.3248  542.037   6.9763 -21.64484 11.64563 
1 1 1   -3   23    7 o  328.824   4.3847  374.204   9.9790  385.414   14.093  362.934   14.131  333.701   6.1021  323.820   6.3053 9.880157 8.774548 
1 1 1   -3   23    8 o  232.259   6.4231  186.706   10.325  186.706   10.325   0.0000   0.0000  232.259   6.4231  ?   ?  0.000000 6.423118 
1 1 1   -3   23    9 o  493.248   4.8649  842.003   16.608  833.998   23.088  850.586   23.907  490.879   6.7957  495.735   6.9679 -4.855530 9.733148 
1 1 1   -3   23   10 o  507.266   5.8218  890.587   20.439  886.951   24.450  899.024   37.247  506.215   6.9785  509.585   10.561 -3.370453 12.65819 
1 1 1   -3   23   11 o  436.815   4.8169  660.379   14.563  669.961   16.567  627.805   30.545  439.965   5.4405  425.814   10.365 14.15134 11.70564 
1 1 1   -3   23   12 o  928.265   14.231  2985.85   91.426   0.0000   0.0000  2985.85   91.426  ?   ?   928.265   14.231 0.000000 14.23057 
1 1 1   -3   23   13 o  480.512   5.0834  799.198   16.906  797.827   19.211  803.903   35.590  480.084   5.7818  481.737   10.674 -1.653473 12.13973 
1 1 1   -3   23   14 o  903.686   9.7228  2829.61   60.811  2871.22   85.405  2786.83   86.609  909.765   13.564  896.230   13.963 13.53467 19.46596 
1 1 1   -3   23   15 o  280.134   5.3238  271.722   10.322  273.351   11.722  266.098   21.779  280.950   6.0283  276.939   11.363 4.010620 12.86290 
1 1 1   -3   23   16 o   76.847   13.912   21.174   7.1268   29.902   8.0551 -10.2829   15.292   91.836   13.039   46.424   21.234 45.41159 24.91772 
1 1 1   -3   23   17 o  202.412   6.3405  141.994   8.8825  141.138   10.156  144.781   18.318  201.753   7.2735  203.481   13.076 -1.727783 14.96307 
1 1 1   -3   23   18 o  119.325   13.035   50.259   10.590   53.738   13.539   44.776   16.998  122.777   16.338  110.387   22.996 12.38969 28.20874 
1 1 1   -3   23   19 o  100.302   11.610   35.571   7.9110   39.235   9.0265   23.434   16.428  105.211   12.650   81.092   25.916 24.11900 28.83796 
1 1 1   -3   23   20 o  125.063   9.8882   54.893   8.4892   56.327   9.6113   49.805   18.105  126.472   11.092  115.508   23.447 10.96361 25.93879 
1 1 1   -3   25    1 o  621.137   6.0755  1335.44   26.118  1260.49   43.078  1379.02   32.844  603.318   10.316  631.149   7.5187 -27.83087 12.76555 
1 1 1   -3   25    2 o  826.833   6.3249  2366.47   36.195  2378.06   51.276  2354.97   51.100  828.742   8.9396  824.708   8.9524 4.033447 12.65155 
1 1 1   -3   25    3 o  802.214   7.1210  2227.83   39.537  2226.85   48.499  2229.76   68.268  801.968   8.7377  802.281   12.295 -0.3135986 15.08324 
1 1 1   -3   25    5 o  421.941   5.3532  616.190   15.633  602.402   18.530  650.244   29.120  417.180   6.4175  433.370   9.7086 -16.18979 11.63792 
1 1 1   -3   25    6 o  1460.41   11.685  7385.12  118.108  7392.28  144.537  7370.73  204.897  1460.91   14.295  1458.11   20.303 2.792358 24.83076 
1 1 1   -3   25    7 o  598.266   5.2115  1238.74   21.579  1224.03   30.224  1254.03   30.820  594.674   7.3434  601.916   7.3980 -7.242249 10.42387 
1 1 1   -3   25    8 o  917.456   6.8663  2913.31   43.600  2902.61   61.283  2924.28   62.044  915.698   9.6696  919.108   9.7534 -3.409851 13.73429 
1 1 1   -3   25    9 o  410.539   8.8735  583.415   25.213   0.0000   0.0000  583.415   25.213  ?   ?   410.539   8.8735 0.000000 8.873475 
1 1 1   -3   25   10 o  501.304   5.8031  869.788   20.134  871.727   24.149  865.366   36.466  501.846   6.9527  499.943   10.539 1.903442 12.62563 
1 1 1   -3   25   11 o  793.896   7.2891  2181.75   40.051  2230.32   49.599  2090.73   67.896  802.624   8.9287  776.928   12.627 25.69647 15.46457 
1 1 1   -3   25   12 o  144.149   7.2496   72.116   7.2097   71.355   7.9098   75.854   17.528  143.338   8.0051  146.844   17.597 -3.505615 19.33255 
1 1 1   -3   25   13 o  284.368   8.1835  280.026   16.106  274.439   22.588  285.805   22.972  281.422   11.597  287.192   11.557 -5.769745 16.37253 
1 1 1   -3   25   14 o  420.399   5.7460  611.912   16.719  632.411   20.065  565.366   30.236  427.341   6.7841  403.835   10.818 23.50534 12.76900 
1 1 1   -3   25   15 o   55.957   17.322   10.860   7.3960   10.860   7.3960   0.0000   0.0000   55.957   17.322  ?   ?  0.000000 17.32195 
1 1 1   -3   25   16 o  244.321   6.1467  206.807   10.394  216.633   12.264  181.756   19.582  250.011   7.0876  228.308   12.439 21.70273 14.31676 
1 1 1   -3   25   17 o  238.848   6.6509  197.769   10.995  190.743   13.021  215.219   20.520  234.472   8.0240  248.677   11.923 -14.20471 14.37119 
1 1 1   -3   25   18 o  139.091   8.3586   67.433   8.0092   72.901   9.0810   48.288   16.993  144.544   9.1242  114.838   22.184 29.70627 23.98670 
1 1 1   -3   25   19 o   62.741   17.298   14.328   7.7541   6.8562   8.6015   46.741   17.916   49.938   18.596  112.132   23.820 -62.19423 30.21919 
1 1 1   -3   25   20 o  279.370   7.5069  271.418   14.515  271.418   14.515   0.0000   0.0000  279.370   7.5069  ?   ?  0.000000 7.506877 
1 1 1   -3   27    1 o  1499.72   10.349  7789.04  107.418  7566.43  147.167  8042.87  157.149  1477.63   14.390  1523.37   14.905 -45.73389 20.71795 
1 1 1   -3   27    2 o  1108.35   11.255  4254.60   86.339  4144.88  119.334  4375.12  125.071  1093.54   15.767  1123.46   16.085 -29.92505 22.52406 
1 1 1   -3   27    3 o  1032.13   7.5041  3687.70   53.605  3617.88   74.329  3763.39   77.383  1022.15   10.507  1042.48   10.725 -20.33862 15.01387 
1 1 1   -3   27    4 o  615.888   5.2956  1312.84   22.573  1298.00   31.550  1328.40   32.310  612.355   7.4442  619.481   7.5359 -7.125793 10.59274 
1 1 1   -3   27    5 o  685.805   6.4382  1627.90   30.559  1593.66   51.280  1646.76   38.055  678.438   10.921  689.733   7.9717 -11.29480 13.52095 
1 1 1   -3   27    6 o  1128.42   9.3642  4407.92   73.134  4383.85   88.833  4458.54  128.837  1125.24   11.406  1134.49   16.408 -9.243042 19.98350 
1 1 1   -3   27    7 o  1378.67   11.119  6580.39  106.098  6541.17  128.744  6663.42  187.309  1374.42   13.534  1386.73   19.516 -12.31519 23.74958 
1 1 1   -3   27    8 o  559.056   7.1543  1081.77   27.682  1081.77   27.682   0.0000   0.0000  559.056   7.1543  ?   ?  0.000000 7.154325 
1 1 1   -3   27    9 o   97.914   8.5120   33.437   5.7110   43.050   7.3884   19.169   9.0014  111.092   9.7068   72.939   17.952 38.15327 20.40844 
1 1 1   -3   27   10 o  637.376   5.5172  1406.06   24.339  1397.05   33.921  1415.62   34.942  635.286   7.7147  639.488   7.8947 -4.202148 11.03823 
1 1 1   -3   27   11 o  1228.01   12.346  5223.54  104.927  5448.78  153.173  5024.39  144.027  1253.58   17.654  1203.82   17.286 49.76025 24.70828 
1 1 1   -3   27   12 o  259.524   5.1487  233.129   9.2482  226.908   10.163  263.073   22.299  256.032   5.7355  275.565   11.692 -19.53323 13.02287 
1 1 1   -3   27   13 o  374.862   4.8694  486.418   12.634  486.813   14.162  484.878   27.954  375.001   5.4567  374.067   10.797 0.9342041 12.09774 
1 1 1   -3   27   14 o  187.265   6.7163  121.452   8.7049  121.452   8.7049   0.0000   0.0000  187.265   6.7163  ?   ?  0.000000 6.716275 
1 1 1   -3   27   15 o  280.298   6.8063  272.195   13.204  255.561   16.228  304.780   22.713  271.504   8.6359  296.324   11.075 -24.82010 14.04392 
1 1 1   -3   27   16 o  188.120   6.3848  122.630   8.3130  126.054   9.3570  109.805   18.110  190.698   7.0894  176.866   14.934 13.83206 16.53145 
1 1 1   -3   27   17 o  207.386   6.1500  149.078   8.8274  150.598   9.9237  143.317   19.320  208.398   6.8803  202.202   13.890 6.196823 15.50047 
1 1 1   -3   27   19 o  215.546   6.3664  161.245   9.4975  158.543   10.638  171.854   21.081  213.648   7.1945  220.918   13.857 -7.269943 15.61379 
1 1 1   -3   27   20 o   85.423   13.877   26.328   7.9231   26.297   8.8274   26.459   17.970   84.960   15.587   84.816   27.104 0.1432114 31.26633 
1 1 1   -3   29    1 o  1321.72   9.2634  6048.27   84.740  5791.84  114.401  6360.02  126.137  1293.12   12.782  1355.00   13.450 -61.87939 18.55515 
1 1 1   -3   29    2 o  861.495   7.5663  2569.10   45.114  2430.73   73.849  2651.49   56.984  837.747   12.737  875.129   9.4081 -37.38239 15.83454 
1 1 1   -3   29    3 o  1525.73   12.156  8061.27  128.361  7795.12  214.927  8208.84  160.037  1499.33   20.712  1539.34   15.021 -40.01196 25.58547 
1 1 1   -3   29    5 f  551.547   5.0434  1052.82   19.252  1031.57   26.845  1075.32   27.625  545.927   7.1048  557.382   7.1610 -11.45471 10.08754 
1 1 1   -3   29    6 o  827.872   6.3754  2372.10   36.530  2371.51   51.585  2372.70   51.737  827.711   9.0047  827.917   9.0290 -0.2067871 12.75174 
1 1 1   -3   29    7 o  844.292   7.5276  2467.26   43.987  2434.89   52.821  2540.49   79.449  838.698   9.0997  856.553   13.402 -17.85510 16.19900 
1 1 1   -3   29    8 o  303.497   5.6193  318.790   11.804  316.726   13.618  325.024   23.666  302.507   6.5045  306.398   11.160 -3.891479 12.91694 
1 1 1   -3   29    9 o  592.323   7.4202  1214.42   30.419  1214.42   30.419   0.0000   0.0000  592.323   7.4202  ?   ?  0.000000 7.420192 
1 1 1   -3   29   10 o  581.391   5.2968  1169.91   21.314  1168.02   29.941  1171.85   30.348  580.878   7.4473  581.826   7.5363 -0.9483032 10.59522 
1 1 1   -3   29   11 o  397.141   5.7060  545.928   15.684  566.317   18.877  500.488   28.182  404.471   6.7434  380.145   10.711 24.32590 12.65716 
1 1 1   -3   29   12 f  743.836   7.0587  1915.59   36.340  1936.04   44.409  1874.15   63.220  747.713   8.5815  735.390   12.421 12.32336 15.09722 
1 1 1   -3   29   13 o  384.551   4.8125  511.909   12.809  510.158   14.298  519.024   28.824  383.878   5.3815  386.969   10.762 -3.091766 12.03271 
1 1 1   -3   29   14 o  140.762   7.1109   68.812   6.9053   71.686   7.5298   53.610   17.317  143.644   7.6009  122.197   21.247 21.44720 22.56598 
1 1 1   -3   29   15 o  157.811   7.2946   86.308   7.9673   86.308   7.9673   0.0000   0.0000  157.811   7.2946  ?   ?  0.000000 7.294569 
1 1 1   -3   29   16 o  292.645   6.7514  296.850   13.675  301.171   17.174  289.366   22.603  294.633   8.4220  288.507   11.319 6.126678 14.10888 
1 1 1   -3   29   17 o  302.278   5.3106  316.613   11.110  314.657   12.549  323.707   23.895  301.287   6.0182  304.939   11.322 -3.652618 12.82194 
1 1 1   -3   29   18 o  193.176   6.6027  129.474   8.8278  132.479   9.8248  116.878   20.112  195.351   7.2666  181.681   16.163 13.67065 17.72143 
1 1 1   -3   29   19 o  294.975   6.1423  301.970   12.540  301.970   12.540   0.0000   0.0000  294.975   6.1423  ?   ?  0.000000 6.142295 
1 1 1   -3   29   20 o  177.470   9.3589  110.253   11.455  106.940   13.726  117.854   20.792  174.284   11.442  181.287   16.761 -7.002960 20.29415 
1 1 1   -3   31    1 o  405.494   5.2737  569.076   14.801  574.752   18.215  558.049   25.390  407.499   6.4586  401.496   9.1370 6.002350 11.18918 
1 1 1   -3   31    2 o  1093.53   9.1089  4139.68   68.940  4018.08   82.027  4432.19  127.226  1077.27   11.002  1131.07   16.252 -53.80420 19.62562 
1 1 1   -3   31    3 o  847.594   6.5043  2486.54   38.156  2451.59   53.281  2523.34   54.668  841.546   9.1479  853.767   9.2516 -12.22144 13.01062 
1 1 1   -3   31    4 o  740.219   6.8843  1896.46   35.269  1806.83   59.349  1945.39   43.853  722.390   11.870  749.675   8.4517 -27.28418 14.57179 
1 1 1   -3   31    5 o  756.142   6.0194  1978.83   31.501  1906.14   43.098  2062.21   46.159  742.081   8.3913  771.857   8.6405 -29.77600 12.04462 
1 1 1   -3   31    7 o  1270.76   10.317  5590.29   90.740  5468.19  108.857  5868.29  164.264  1256.69   12.516  1301.45   18.236 -44.76074 22.11792 
1 1 1   -3   31    8 o  106.141   9.8780   39.340   7.1732   42.382   7.9977   26.824   16.221  110.130   10.624   87.127   25.363 23.00392 27.49862 
1 1 1   -3   31    9 o  1338.06   10.870  6199.53  100.669  6085.59  120.456  6463.42  183.320  1325.53   13.130  1365.35   19.399 -39.82300 23.42508 
1 1 1   -3   31   10 o  493.230   5.0124  842.005   17.111  863.912   24.323  820.542   24.076  499.567   7.0349  486.864   7.1448 12.70358 10.02686 
1 1 1   -3   31   11 o  500.987   5.1021  868.741   17.691  902.575   24.936  834.455   25.102  510.602   7.0563  490.946   7.3875 19.65579 10.21600 
1 1 1   -3   31   12 o  144.412   8.8085   72.500   8.7620   74.016   10.006   67.512   18.147  145.828   9.9732  138.035   19.541 7.793060 21.93869 
1 1 1   -3   31   13 o  255.973   7.3591  226.942   13.038  226.942   13.038   0.0000   0.0000  255.973   7.3591  ?   ?  0.000000 7.359119 
1 1 1   -3   31   14 o  223.578   5.2754  173.093   8.1632  167.701   8.9370  200.244   20.055  220.052   5.8680  239.849   12.120 -19.79683 13.46617 
1 1 1   -3   31   15 o  136.479   7.1892   64.737   6.7669   66.958   7.4226   53.805   16.467  138.759   7.7600  122.400   20.139 16.35887 21.58247 
1 1 1   -3   31   16 o  259.965   5.8054  234.180   10.445  230.406   12.073  245.415   20.830  257.801   6.7664  265.638   11.330 -7.836731 13.19655 
1 1 1   -3   31   17 o  189.717   7.0305  124.864   9.2314  126.448   10.488  119.415   19.453  190.851   7.9397  184.042   15.414 6.808395 17.33849 
1 1 1   -3   31   19 f  207.735   6.9690  149.930   10.020  152.494   11.331  140.732   21.459  209.396   7.8183  199.082   15.702 10.31470 17.54062 
1 1 1   -3   33    1 o  681.212   5.6546  1606.07   26.660  1545.86   36.495  1674.96   39.040  668.283   7.8904  695.625   8.1088 -27.34155 11.31418 
1 1 1   -3   33    2 o  1457.40   10.106  7353.05  101.933  7115.34  139.100  7628.77  149.806  1433.40   14.021  1484.17   14.584 -50.77124 20.23053 
1 1 1   -3   33    3 f  837.317   7.4449  2426.67   43.145  2343.42   71.861  2473.59   53.951  822.679   12.621  845.330   9.2213 -22.65143 15.63066 
1 1 1   -3   33    4 o  1076.12   7.8085  4008.26   58.157  3900.95   80.080  4128.02   84.599  1061.51   10.900  1091.96   11.194 -30.44580 15.62404 
1 1 1   -3   33    5 o  1569.10   10.813  8523.52  117.429  8246.59  160.051  8846.41  172.823  1543.13   14.986  1598.21   15.624 -55.08411 21.64907 
1 1 1   -3   33    6 o  717.951   8.2399  1784.19   40.944  1784.19   40.944   0.0000   0.0000  717.951   8.2399  ?   ?  0.000000 8.239873 
1 1 1   -3   33    7 o  950.072   7.0933  3124.26   46.642  3065.64   64.677  3187.78   67.327  941.027   9.9305  959.583   10.137 -18.55658 14.19094 
1 1 1   -3   33    8 o  748.955   6.0386  1941.48   31.302  1883.21   43.018  2007.06   45.633  737.568   8.4269  761.429   8.6591 -23.86096 12.08275 
1 1 1   -3   33    9 o  265.253   6.9191  243.550   12.702  255.219   15.577  220.390   21.945  271.517   8.2893  252.246   12.570 19.27110 15.05690 
1 1 1   -3   33   10 o  574.315   11.169  1142.44   44.397   0.0000   0.0000  1142.44   44.397  ?   ?   574.315   11.169 0.000000 11.16938 
1 1 1   -3   33   11 o  356.525   4.9283  439.972   12.161  434.583   16.583  446.242   17.887  354.300   6.7627  359.011   7.1986 -4.711029 9.876922 
1 1 1   -3   33   12 o   30.326   13.164  -0.8717   5.1274  -2.7368   5.4102   15.585   16.071   28.807   12.957   72.054   25.625 -43.24738 28.71475 
1 1 1   -3   33   13 o  328.922   5.7038  374.628   12.985  379.361   15.334  362.634   24.410  330.955   6.6946  323.349   10.907 7.605988 12.79777 
1 1 1   -3   33   14 o  133.329   6.9001   61.756   6.3455   59.596   6.8498   74.829   16.850  130.915   7.5924  145.539   17.051 -14.62453 18.66476 
1 1 1   -3   33   15 o   78.282   10.931   21.699   5.7610   21.707   6.2790   21.654   14.485   78.123   11.996   78.385   24.238 -0.2623444 27.04398 
1 1 1   -3   33   17 o  168.949   6.6180   99.014   7.7386  101.667   8.4854   85.902   18.865  171.162   7.1628  155.234   17.886 15.92891 19.26697 
1 1 1   -3   33   18 o   81.106   14.128   23.720   7.6425   27.082   8.2772   4.2868   19.900   86.763   14.281   64.191   26.820 22.57201 30.38480 
1 1 1   -3   33   19 o  196.089   7.0567  133.649   9.5770  124.153   10.666  173.171   21.758  188.854   8.1600  221.269   14.284 -32.41519 16.45055 
1 1 1   -3   35    1 o  1306.93   10.620  5913.10   96.058  5731.34  113.717  6365.85  179.474  1286.58   12.771  1355.46   19.131 -68.88770 23.00177 
1 1 1   -3   35    2 o  1239.75   8.7887  5320.15   75.411  5187.67  103.870  5467.81  109.660  1224.06   12.261  1256.66   12.608 -32.59814 17.58656 
1 1 1   -3   35    3 o  806.916   6.3360  2253.52   35.385  2170.71   48.299  2349.46   51.988  791.904   8.8123  823.856   9.1176 -31.95270 12.68012 
1 1 1   -3   35    4 o  2075.61   16.161 14921.58  232.156 14551.22  390.429 15124.15  288.747  2047.99   27.545  2089.17   19.969 -41.17932 34.02190 
1 1 1   -3   35    5 o  705.045   6.7911  1720.49   33.139  1620.49   55.382  1776.26   41.360  684.140   11.696  716.352   8.3422 -32.21185 14.36636 
1 1 1   -3   35    6 o  1486.03   11.882  7646.13  122.210  7356.86  143.629  8404.88  232.614  1457.47   14.239  1557.02   21.586 -99.55090 25.85875 
1 1 1   -3   35    7 o  825.506   6.4290  2358.69   36.732  2304.59   50.779  2418.07   53.198  815.909   8.9921  835.750   9.1970 -19.84052 12.86247 
1 1 1   -3   35    8 o  741.354   6.0249  1902.33   30.914  1892.14   43.338  1912.88   44.110  739.294   8.4698  743.332   8.5738 -4.038574 12.05187 
1 1 1   -3   35    9 o  906.921   9.7262  2848.11   61.051  2848.11   61.051   0.0000   0.0000  906.921   9.7262  ?   ?  0.000000 9.726225 
1 1 1   -3   35   10 o  366.829   11.182  466.146   28.388   0.0000   0.0000  466.146   28.388  ?   ?   366.829   11.182 0.000000 11.18150 
1 1 1   -3   35   11 o  461.155   6.8645  736.327   21.910  736.327   21.910   0.0000   0.0000  461.155   6.8645  ?   ?  0.000000 6.864521 
1 1 1   -3   35   12 o  419.692   4.8915  609.782   14.208  655.077   20.077  564.332   20.111  434.928   6.6695  403.658   7.1986 31.27066 9.813352 
1 1 1   -3   35   13 f  481.404   4.8875  802.406   16.285  807.774   18.392  782.927   35.035  482.978   5.5021  475.059   10.656 7.919220 11.99237 
1 1 1   -3   35   14 o  480.787   7.0266  801.062   23.382  846.829   32.020  748.781   34.223  494.060   9.3641  464.408   10.647 29.65204 14.17924 
1 1 1   -3   35   15 o  293.791   4.7446  298.939   9.6476  298.162   10.665  302.439   22.632  293.381   5.2524  294.961   11.086 -1.580078 12.26757 
1 1 1   -3   35   16 o  297.312   4.8580  306.234   9.9965  303.936   10.992  317.220   24.035  296.159   5.3628  301.831   11.505 -5.671692 12.69385 
1 1 1   -3   35   17 o  118.402   8.8953   49.013   7.2362   49.013   7.2362   0.0000   0.0000  118.402   8.8953  ?   ?  0.000000 8.895262 
1 1 1   -3   35   18 o   47.267   16.034   7.3367   6.2553   2.4333   6.6638   43.693   18.145   39.239   15.857  107.906   24.814 -68.66695 29.44821 
1 1 1   -3   35   19 o   46.339   17.319   5.9107   7.4743   1.8584   8.1209   28.361   19.114   41.593   17.234   87.440   27.955 -45.84742 32.84082 
1 1 1   -3   37    1 o  635.305   5.5164  1396.87   24.256  1357.95   33.508  1439.70   35.156  626.364   7.7295  644.939   7.8761 -18.57513 11.03526 
1 1 1   -3   37    2 o  310.253   5.6917  333.140   12.222  326.043   14.600  349.756   22.340  306.923   6.8731  317.859   10.155 -10.93567 12.26230 
1 1 1   -3   37    3 o  1632.48   11.221  9226.41  126.782  8903.42  172.343  9607.35  187.168  1603.34   15.531  1665.45   16.238 -62.11316 22.46915 
1 1 1   -3   37    4 o  874.565   6.7228  2647.29   40.693  2541.34   55.371  2771.73   60.006  856.819   9.3371  894.804   9.6893 -37.98511 13.45600 
1 1 1   -3   37    5 o  843.776   7.5142  2464.34   43.882  2386.75   52.450  2645.37   80.114  830.341   9.1266  874.007   13.244 -43.66644 16.08409 
1 1 1   -3   37    6 o  373.785   5.8089  483.569   15.028  448.341   26.051  501.137   18.397  359.849   10.460  380.501   6.9858 -20.65152 12.57809 
1 1 1   -3   37    7 o  577.175   7.4640  1153.17   29.816  1153.17   29.816   0.0000   0.0000  577.175   7.4640  ?   ?  0.000000 7.464006 
1 1 1   -3   37    8 o  684.213   5.7748  1620.40   27.347  1586.79   37.903  1656.89   39.495  677.010   8.0890  691.799   8.2486 -14.78900 11.55301 
1 1 1   -3   37    9 o  333.425   4.9941  384.793   11.525  356.044   15.425  421.124   17.340  320.699   6.9493  348.775   7.1832 -28.07556 9.994566 
1 1 1   -3   37   10 o  288.179   5.8376  287.487   11.643  281.495   13.333  306.732   23.895  285.144   6.7560  297.520   11.604 -12.37592 13.42772 
1 1 1   -3   37   11 o  725.394   8.3491  1822.70   41.917  1822.70   41.917   0.0000   0.0000  725.394   8.3491  ?   ?  0.000000 8.349138 
1 1 1   -3   37   12 o  402.399   4.8361  560.603   13.469  585.648   18.900  534.759   19.199  411.208   6.6409  392.915   7.0601 18.29340 9.692586 
1 1 1   -3   37   13 f  141.179   6.0693   69.038   5.9304   68.339   6.3865   73.415   15.980  140.452   6.5699  144.275   16.289 -3.823029 17.56380 
1 1 1   -3   37   14 o  272.188   4.7054  256.562   8.8643  257.027   9.7464  254.342   21.323  272.414   5.1694  270.539   11.388 1.874481 12.50606 
1 1 1   -3   37   15 o  312.105   5.7559  337.549   12.434  334.177   14.602  346.439   23.711  310.460   6.7957  315.645   10.854 -5.184448 12.80548 
1 1 1   -3   37   16 o  187.978   7.3834  122.625   9.6059  113.389   10.977  152.829   19.851  180.656   8.7789  208.682   13.823 -28.02571 16.37473 
1 1 1   -3   37   17 o  222.474   5.8230  171.655   8.9660  171.655   8.9660   0.0000   0.0000  222.474   5.8230  ?   ?  0.000000 5.822967 
1 1 1   -3   37   18 o  138.188   7.4103   66.566   7.0615   60.470   7.5325  110.781   20.287  131.562   8.3152  176.151   16.845 -44.58943 18.78574 
1 1 1   -3   39    1 o  720.001   6.8433  1794.26   34.101  1722.93   56.981  1834.07   42.566  705.429   11.671  727.912   8.4490 -22.48285 14.40813 
1 1 1   -3   39    2 o  727.163   5.9666  1830.07   30.029  1800.68   41.879  1861.18   43.080  721.253   8.3894  733.267   8.4887 -12.01392 11.93480 
1 1 1   -3   39    3 o  1110.41   8.0561  4268.00   61.914  4160.54   85.254  4387.91   90.062  1096.21   11.237  1125.75   11.559 -29.53809 16.12081 
1 1 1   -3   39    4 o  647.840   5.6251  1452.58   25.222  1411.96   34.735  1497.90   36.682  638.674   7.8580  657.819   8.0570 -19.14478 11.25448 
1 1 1   -3   39    5 o  698.946   6.7454  1690.94   32.631  1590.73   52.746  1753.07   41.532  677.787   11.244  711.627   8.4325 -33.83972 14.05468 
1 1 1   -3   39    6 o  773.753   6.2261  2072.26   33.342  2033.19   46.277  2114.44   48.080  766.346   8.7250  781.502   8.8892 -15.15576 12.45562 
1 1 1   -3   39    7 o  779.830   8.9058  2105.53   48.067   0.0000   0.0000  2105.53   48.067  ?   ?   779.830   8.9058 0.000000 8.905831 
1 1 1   -3   39    8 o  328.404   4.9822  373.288   11.324  385.351   15.668  360.093   16.386  333.642   6.7849  322.513   7.3410 11.12885 9.996246 
1 1 1   -3   39    9 o  537.368   6.1996  999.642   23.058  922.927   38.887  1041.24   28.634  516.145   10.886  548.386   7.5443 -32.24121 13.24448 
1 1 1   -3   39   10 o  328.184   4.9833  372.834   11.319  361.122   14.986  388.389   17.271  322.948   6.7047  334.896   7.4513 -11.94812 10.02370 
1 1 1   -3   39   11 o   33.279   14.839  -2.8636   6.9329  -2.2520   7.5778  -6.0049   17.173   35.731   15.744   52.994   23.508 -17.26318 28.29327 
1 1 1   -3   39   12 o  534.033   5.1416  987.505   19.004  987.117   26.387  987.924   27.392  533.781   7.1426  533.976   7.4119 -0.1947632 10.29332 
1 1 1   -3   39   13 o  360.073   4.5823  448.941   11.420  455.303   12.764  423.415   25.566  362.590   5.0861  349.233   10.577 13.35703 11.73648 
1 1 1   -3   39   14 o  213.158   4.8736  157.370   7.1900  154.809   7.7577  172.976   19.148  211.399   5.3022  222.604   12.478 -11.20441 13.55822 
1 1 1   -3   39   15 o  103.713   7.4210   37.505   5.2916   34.614   5.5946   62.049   16.301   99.527   8.1946  131.689   18.387 -32.16138 20.13022 
1 1 1   -3   39   16 o  150.472   6.4187   78.537   6.6847   78.537   6.6847   0.0000   0.0000  150.472   6.4187  ?   ?  0.000000 6.418732 
1 1 1   -3   39   17 o  147.527   8.9978   76.022   9.1433   79.423   10.228   62.488   20.404  150.664   9.8626  130.077   23.531 20.58670 25.51396 
1 1 1   -3   39   18 o  136.460   7.7070   64.987   7.2491   65.632   7.7567   60.537   20.375  137.060   8.2148  127.200   24.024 9.860077 25.39006 
1 1 1   -3   41    1 o  167.126   6.9768   96.678   8.0701  104.128   11.148   88.474   11.698  173.180   9.3351  159.500   10.658 13.68022 14.16817 
1 1 1   -3   41    2 o  1165.14   8.3917  4699.34   67.671  4498.90   91.502  4941.32  100.538  1139.85   11.599  1194.55   12.160 -54.69702 16.80488 
1 1 1   -3   41    3 o  742.075   8.5625  1906.31   43.977  1906.31   43.977   0.0000   0.0000  742.075   8.5625  ?   ?  0.000000 8.562536 
1 1 1   -3   41    4 o  280.058   5.9071  271.470   11.450  261.779   13.951  291.463   20.039  275.001   7.3301  290.140   9.9792 -15.13901 12.38205 
1 1 1   -3   41    5 o  482.825   5.8428  806.882   19.525  804.158   24.014  812.195   33.538  481.985   7.1987  484.321   10.005 -2.336182 12.32572 
1 1 1   -3   41    6 o  697.643   5.9184  1684.65   28.577  1601.22   38.665  1785.09   42.424  680.078   8.2145  718.053   8.5365 -37.97455 11.84696 
1 1 1   -3   41    7 o  554.609   5.3327  1064.66   20.470  1019.63   27.966  1116.63   30.042  542.698   7.4456  567.920   7.6430 -25.22150 10.67018 
1 1 1   -3   41    8 o  701.986   5.9128  1705.85   28.728  1648.39   39.236  1772.24   42.176  689.961   8.2165  715.396   8.5182 -25.43512 11.83512 
1 1 1   -3   41    9 o  470.208   5.8965  765.428   19.189  746.026   22.368  819.512   37.346  464.174   6.9626  486.287   11.096 -22.11301 13.09969 
1 1 1   -3   41   10 o  234.932   5.5596  191.092   9.0399  187.720   11.695  196.097   14.249  232.811   7.2581  237.908   8.6534 -5.096832 11.29432 
1 1 1   -3   41   11 o  457.687   5.7851  725.406   18.326  722.822   21.533  732.195   34.900  456.811   6.8107  459.416   10.976 -2.604767 12.91739 
1 1 1   -3   41   12 o  192.693   7.3850  128.674   9.8490  120.829   11.498  150.293   19.087  186.667   8.8997  207.495   13.362 -20.82814 16.05447 
1 1 1   -3   41   13 o  228.926   6.8213  181.633   10.808  181.633   10.808   0.0000   0.0000  228.926   6.8213  ?   ?  0.000000 6.821329 
1 1 1   -3   41   14 o  107.020   6.8779   39.874   5.0675   39.640   5.3281   42.093   16.403  106.667   7.2604  107.218   22.806 -0.5508957 23.93400 
1 1 1   -3   41   15 o  148.843   5.7027   76.791   5.8747   74.107   6.1728  102.585   19.135  146.201   6.1003  170.263   16.442 -24.06203 17.53755 
1 1 1   -3   41   16 o   76.881   9.6571   20.891   5.0252   20.118   5.2857   28.161   16.210   75.292   10.423   87.444   25.325 -12.15131 27.38601 
1 1 1   -3   41   17 f  154.195   6.0345   82.510   6.4400   81.360   6.7846   92.976   20.467  153.089   6.4033  160.747   18.748 -7.658142 19.81164 
1 1 1   -3   41   18 o   49.485   17.894   7.4158   7.8709   7.7139   8.5912   5.8585   19.637   51.011   18.657   64.427   26.757 -13.41592 32.61893 
1 1 1   -3   43    1 o  450.489   5.9605  702.418   18.584  732.683   32.554  687.787   22.635  460.010   10.225  445.752   7.3368 14.25818 12.58482 
1 1 1   -3   43    2 o  720.785   6.0266  1798.22   30.064  1702.95   40.673  1912.97   44.638  701.368   8.3788  743.351   8.6763 -41.98291 12.06162 
1 1 1   -3   43    3 o  658.644   6.5859  1501.60   30.022  1466.05   36.194  1580.00   53.751  650.762   8.0360  675.450   11.498 -24.68823 14.02771 
1 1 1   -3   43    4 o  482.719   6.0384  806.550   20.174  781.382   23.753  871.707   38.218  475.105   7.2235  501.709   11.006 -26.60446 13.16500 
1 1 1   -3   43    5 o  748.380   6.1548  1938.66   31.880  1874.56   43.663  2011.85   46.655  735.815   8.5736  762.273   8.8432 -26.45764 12.31703 
1 1 1   -3   43    6 o  351.794   5.2298  428.366   12.734  413.359   17.306  446.082   18.803  345.544   7.2362  358.954   7.5685 -13.40970 10.47116 
1 1 1   -3   43    7 o  180.044   6.9993  112.227   8.7219  120.652   11.747  101.876   13.020  186.652   9.0931  171.128   11.052 15.52361 14.31215 
1 1 1   -3   43    8 o   80.348   18.088   23.313   9.8160   47.946   17.561   12.119   11.838  115.379   22.799   62.848   22.027 52.53073 31.70173 
1 1 1   -3   43    9 o  295.215   5.6866  301.740   11.619  292.078   14.131  321.902   20.415  290.414   7.0304  304.780   9.6778 -14.36661 11.96185 
1 1 1   -3   43   10 o  163.622   6.8073   92.729   7.7089   81.773   9.5666  113.017   13.018  153.333   9.0548  180.224   10.482 -26.89107 13.85116 
1 1 1   -3   43   11 o  109.009   8.9185   41.474   6.6698   33.914   8.2180   56.065   11.417   98.046   12.387  126.334   13.255 -28.28774 18.14172 
1 1 1   -3   43   12 o   48.775   16.167   7.8745   6.3625   8.6273   6.9317   3.8473   16.033   50.989   16.873   58.941   24.301 -7.952168 29.58479 
1 1 1   -3   43   13 o  239.370   5.1122  198.473   8.4694  214.959   11.404  178.200   12.647  249.032   6.6166  226.653   8.0620 22.37885 10.42957 
1 1 1   -3   43   14 o  137.283   5.6413   65.314   5.3601   66.329   5.6981   57.512   15.799  138.334   5.9514  126.651   18.576 11.68291 19.50623 
1 1 1   -3   43   15 o  250.941   4.5515  218.169   7.9050  223.276   8.6129  190.878   19.911  253.838   4.9025  233.544   12.362 20.29318 13.29864 
1 1 1   -3   43   16 o  120.015   6.3686   50.123   5.2710   51.769   5.5317   33.878   17.375  121.953   6.5781   95.177   25.751 26.77613 26.57821 
1 1 1   -3   43   17 o   63.144   11.927   14.412   5.0216   16.050   5.2146  -6.4927   18.626   66.766   11.712   54.023   24.188 12.74300 26.87466 
1 1 1   -3   45    1 o  841.421   6.6320  2450.71   38.622  2377.69   53.110  2532.66   56.265  828.686   9.2600  855.252   9.5054 -26.56641 13.27024 
1 1 1   -3   45    2 o  523.877   6.1906  949.971   22.446  954.146   38.765  947.865   27.531  524.901   10.670  523.263   7.6019 1.637634 13.10145 
1 1 1   -3   45    3 o  533.599   5.3771  985.510   19.858  967.285   27.438  1005.56   28.777  528.594   7.4999  538.943   7.7148 -10.34979 10.75952 
1 1 1   -3   45    4 o  558.372   5.4387  1079.16   21.018  1059.10   29.042  1101.23   30.457  553.101   7.5865  563.987   7.8026 -10.88507 10.88280 
1 1 1   -3   45    5 o  643.844   8.0609  1435.28   35.920  1396.10   48.271  1483.90   53.771  634.851   10.986  654.456   11.871 -19.60577 16.17439 
1 1 1   -3   45    6 f  419.236   5.2054  608.381   15.104  586.273   20.406  635.170   22.462  411.501   7.1648  428.305   7.5774 -16.80426 10.42839 
1 1 1   -3   45    7 o  355.242   5.9460  436.893   14.619  436.878   22.925  436.903   18.979  355.129   9.3270  355.196   7.7202 -0.6674194E-01 12.10762 
1 1 1   -3   45    8 o  182.405   10.382  115.693   13.052   0.0000   0.0000  115.693   13.052  ?   ?   182.405   10.382 0.000000 10.38170 
1 1 1   -3   45    9 o  510.013   6.2043  900.781   21.900  780.976   35.997  971.186   27.595  474.529   10.960  529.481   7.5302 -54.95123 13.29788 
1 1 1   -3   45   10 o  384.213   4.9456  511.132   13.151  485.801   17.559  543.498   19.848  374.480   6.7747  396.065   7.2406 -21.58466 9.915837 
1 1 1   -3   45   11 o  358.708   5.5776  445.662   13.847  450.341   21.045  442.090   18.389  360.384   8.4372  357.146   7.4393 3.238098 11.24852 
1 1 1   -3   45   12 o   48.687   16.194   7.8337   6.3816   8.7347   6.9205   2.7156   16.494   51.160   16.857   58.559   24.438 -7.399010 29.68742 
1 1 1   -3   45   13 o  153.161   6.3153   81.313   6.6944   85.352   8.2605   73.585   11.427  156.860   7.6088  144.977   11.482 11.88261 13.77424 
1 1 1   -3   45   14 o   68.906   9.5354   16.816   4.4256   16.816   4.4256   0.0000   0.0000   68.906   9.5354  ?   ?  0.000000 9.535389 
1 1 1   -3   45   15 o  268.421   4.4964  249.646   8.3533  247.880   8.9509  261.561   23.251  267.444   4.8357  273.649   12.276 -6.205414 13.19446 
1 1 1   -3   45   16 o  116.043   6.3599   46.882   5.0885   51.109   5.2978  -3.4629   18.283  121.179   6.3388   55.723   24.508 65.45627 25.31417 
1 1 1   -3   45   17 o  114.827   6.1036   45.921   4.8333   46.466   4.9967   37.990   19.055  115.488   6.2748   99.593   26.976 15.89449 27.69646 
1 1 1   -3   47    1 o  942.850   7.1852  3077.51   46.888  2978.78   64.124  3190.94   68.734  927.438   9.9899  959.871   10.346 -32.43372 14.38204 
1 1 1   -3   47    2 o  683.344   5.9388  1616.38   28.087  1570.02   38.565  1668.75   40.989  673.386   8.2747  694.226   8.5308 -20.83990 11.88469 
1 1 1   -3   47    3 o  444.693   5.2281  684.485   16.091  638.229   21.680  741.226   24.011  429.358   7.2955  462.702   7.4977 -33.34381 10.46135 
1 1 1   -3   47    4 o  541.550   5.4051  1015.17   20.259  971.453   27.660  1065.77   29.757  529.694   7.5447  554.804   7.7495 -25.11023 10.81560 
1 1 1   -3   47    5 o  444.028   5.2419  682.484   16.109  650.138   21.927  720.414   23.745  433.320   7.3113  456.131   7.5215 -22.81116 10.48943 
1 1 1   -3   47    6 f  389.527   5.2485  525.256   14.150  534.996   19.489  514.398   20.577  393.064   7.1639  385.404   7.7140 7.660431 10.52748 
1 1 1   -3   47    7 f  735.317   6.1513  1872.17   31.305  1831.15   43.011  1918.38   45.651  727.024   8.5478  744.107   8.8642 -17.08270 12.31417 
1 1 1   -3   47    8 f  231.740   5.9742  185.966   9.5820  178.427   12.662  196.070   14.658  226.932   8.0616  237.856   8.9043 -10.92328 12.01150 
1 1 1   -3   47    9 o  139.724   7.9240   67.871   7.6314   59.022   9.9876   80.286   11.829  129.935   11.216  151.678   11.351 -21.74234 15.95739 
1 1 1   -3   47   10 o  187.646   6.9000  122.006   8.9612  134.342   12.668  109.650   12.678  196.801   9.3003  177.447   10.368 19.35367 13.92823 
1 1 1   -3   47   11 o   26.737   12.608  -6.8401   6.0692  -8.2727   7.1564  -3.1700   11.454   28.855   13.633   43.960   19.364 -15.10438 23.68154 
1 1 1   -3   47   12 o  238.581   5.3277  197.195   8.7974  186.587   11.303  213.499   14.012  231.979   7.0398  248.063   8.1613 -16.08354 10.77802 
1 1 1   -3   47   13 o  244.296   5.8885  206.866   9.9563  207.413   11.243  204.878   21.432  244.565   6.6422  242.048   12.839 2.516586 14.45579 
1 1 1   -3   47   14 o  171.016   5.7472  101.399   6.8026  104.040   8.7313   97.320   10.851  173.130   7.2867  167.014   9.4259 6.115677 11.91401 
1 1 1   -3   47   15 o  234.060   5.9294  190.042   9.6054  187.550   10.614  201.317   22.577  232.453   6.5972  239.279   13.689 -6.825943 15.19619 
1 1 1   -3   47   16 o  103.704   5.9996   37.455   4.2878   38.050   4.4114   27.268   18.243  104.514   6.1252   86.174   27.285 18.34050 27.96456 
1 1 1   -3   49    1 o  943.930   8.2960  3085.39   54.199  3048.59   65.619  3164.39   96.143  938.137   10.106  955.296   14.541 -17.15894 17.70832 
1 1 1   -3   49    2 o  499.755   5.3325  864.538   18.444  876.382   26.079  852.684   26.090  503.098   7.4897  496.245   7.5962 6.852814 10.66758 
1 1 1   -3   49    3 o  513.878   6.2756  914.222   22.320  864.390   37.799  940.898   27.656  499.462   10.935  521.268   7.6658 -21.80518 13.35401 
1 1 1   -3   49    4 o  514.988   5.3675  918.102   19.131  897.362   26.471  940.784   27.682  509.053   7.5132  521.216   7.6736 -12.16306 10.73926 
1 1 1   -3   49    5 o  257.347   5.8972  229.295   10.504  218.086   14.113  243.213   15.727  250.924   8.1265  264.972   8.5755 -14.04753 11.81433 
1 1 1   -3   49    6 o  387.943   7.8740  521.336   21.142  497.561   28.541  550.244   31.471  378.821   10.886  398.334   11.415 -19.51282 15.77369 
1 1 1   -3   49    7 o  549.937   6.1309  1047.33   23.336  1019.56   28.084  1109.27   41.940  542.501   7.4797  565.549   10.715 -23.04791 13.06712 
1 1 1   -3   49    8 o  123.951   10.429   53.672   8.8639   63.024   12.590   44.481   12.482  133.970   13.775  111.831   16.632 22.13921 21.59577 
1 1 1   -3   49    9 o  159.700   7.3626   88.386   8.1379   82.685   10.512   96.911   12.856  154.058   9.9116  166.695   11.208 -12.63713 14.96184 
1 1 1   -3   49   10 o  311.395   11.195  336.878   24.128  336.878   24.128   0.0000   0.0000  311.395   11.195  ?   ?  0.000000 11.19523 
1 1 1   -3   49   11 o  265.158   5.3353  243.566   9.7913  242.096   12.652  245.760   15.461  264.262   6.9172  266.142   8.3936 -1.880402 10.87660 
1 1 1   -3   49   12 o  239.216   5.4442  198.290   9.0137  198.652   11.719  197.765   14.105  239.326   7.0749  238.671   8.5386 0.6552429 11.08884 
1 1 1   -3   49   13 o  196.183   6.4501  133.484   8.7580  148.119   10.012   85.805   18.072  206.618   7.0015  155.371   17.088 51.24648 18.46688 
1 1 1   -3   49   14 o  197.350   5.5206  135.040   7.5405  160.511   9.9518  100.705   11.555  215.061   6.6859  169.781   9.8757 45.27992 11.92605 
1 1 1   -3   49   15 o  203.250   4.9432  143.227   6.9537  143.641   7.4881  140.634   18.742  203.514   5.3162  199.719   13.640 3.794571 14.63948 
1 1 1   -3   49   16 o  131.431   14.887   61.789   13.303   80.927   18.847   42.785   18.781  149.390   18.633  105.824   25.861 43.56563 31.87438 
1 1 1   -3   51    1 o  505.650   5.3599  885.127   18.758  871.258   26.094  899.955   26.983  501.585   7.5167  509.772   7.6479 -8.187042 10.72337 
1 1 1   -3   51    2 o  291.603   5.6627  294.386   11.429  289.638   15.740  299.680   16.621  289.185   7.8641  294.146   8.1643 -4.961395 11.33582 
1 1 1   -3   51    3 o  169.264   8.8417   99.528   10.322  116.781   16.770   89.005   13.097  182.985   13.333  159.768   11.930 23.21729 17.89149 
1 1 1   -3   51    4 o  377.733   6.2520  494.067   16.345  469.951   27.878  506.699   20.176  368.165   10.941  382.474   7.6219 -14.30942 13.33377 
1 1 1   -3   51    5 o  336.413   5.3916  391.848   12.554  371.212   17.054  416.256   18.547  327.355   7.5270  346.638   7.7309 -19.28268 10.78992 
1 1 1   -3   51    6 o  273.644   6.7312  259.369   12.748  258.446   14.929  261.854   24.498  273.110   7.8980  274.617   12.889 -1.506744 15.11668 
1 1 1   -3   51    7 o  152.539   9.2891   80.980   9.7602   84.416   11.202   70.146   19.889  155.639   10.460  140.129   21.167 15.51038 23.61032 
1 1 1   -3   51    8 o  290.873   6.0660  293.076   12.212  289.698   14.863  300.098   21.425  289.121   7.4274  294.046   10.527 -4.925568 12.88384 
1 1 1   -3   51    9 o  408.792   5.8013  578.904   16.414  545.366   25.117  603.903   21.685  396.466   9.1533  417.379   7.5066 -20.91290 11.83778 
1 1 1   -3   51   10 o  291.433   5.2631  294.213   10.616  292.034   14.169  297.002   16.028  290.236   7.0537  292.626   7.9139 -2.389862 10.60121 
1 1 1   -3   51   11 o  193.508   6.1411  129.791   8.2248  121.388   10.401  143.812   13.436  187.032   8.0351  203.462   9.5414 -16.42906 12.47404 
1 1 1   -3   51   12 o  115.956   9.1551   47.015   7.2876   46.816   8.3596   47.644   14.875  115.511   10.574  114.754   19.422 0.7566528 22.11370 
1 1 1   -3   51   13 o  112.554   9.5562   44.391   7.3739   49.719   8.1616   20.717   17.204  119.096   9.9938   78.189   26.591 40.90752 28.40676 
1 1 1   -3   51   14 o   59.116   14.055   12.748   5.6662   17.683   7.0944   4.0555   9.4162   69.608   15.156   47.293   18.942 22.31540 24.25868 
1 1 1   -3   51   15 o   50.455   11.439   9.2595   3.9025   9.3738   4.0106   7.2244   16.922   50.749   11.663   62.372   25.247 -11.62270 27.81104 
1 1 1   -3   53    1 o  104.624   13.525   38.624   9.5646   30.498   11.350   58.537   17.767   91.996   18.467  127.993   20.768 -35.99694 27.79076 
1 1 1   -3   53    2 o  562.825   5.5177  1096.79   21.494  1089.86   30.275  1103.84   30.520  560.895   7.7988  564.480   7.8119 -3.584534 11.03840 
1 1 1   -3   53    3 o  129.584   9.7126   58.537   8.6476   48.602   11.910   69.612   12.576  117.321   15.012  141.013   13.033 -23.69181 19.88025 
1 1 1   -3   53    4 o  218.821   6.5694  165.844   9.9492  162.206   13.659  169.956   14.521  216.321   9.1233  221.413   9.4757 -5.092728 13.15384 
1 1 1   -3   53    5 o  152.936   8.3613   81.306   8.8168   90.035   11.958   70.909   13.051  160.732   10.812  142.240   13.415 18.49216 17.23014 
1 1 1   -3   53    6 o  429.968   5.2799  640.201   15.712  644.005   21.863  636.139   22.595  431.107   7.3275  428.443   7.6199 2.663849 10.57140 
1 1 1   -3   53    7 o  384.229   5.2531  511.281   13.970  509.259   19.227  513.542   20.331  383.337   7.2470  384.915   7.6316 -1.578369 10.52422 
1 1 1   -3   53    8 o  259.234   6.5147  232.870   11.689  229.415   17.367  235.731   15.804  257.090   9.7605  260.681   8.7593 -3.591278 13.11465 
1 1 1   -3   53    9 o  256.934   5.8227  228.729   10.354  220.059   13.587  240.740   15.992  251.895   7.7934  263.388   8.7725 -11.49350 11.73426 
1 1 1   -3   53   10 o  193.092   6.4426  129.250   8.6100  121.388   11.267  140.287   13.349  186.993   8.7053  200.955   9.5982 -13.96143 12.95793 
1 1 1   -3   53   11 o  301.448   6.6167  315.138   13.805  322.634   24.560  311.676   16.691  304.329   11.660  299.634   8.0486 4.694794 14.16820 
1 1 1   -3   53   12 o  227.298   5.6866  179.120   8.9459  188.298   11.773  166.580   13.761  232.909   7.3035  218.884   9.0836 14.02507 11.65564 
1 1 1   -3   53   13 o  117.038   8.1936   47.847   6.5953   49.371   8.4907   45.528   10.472  118.557   10.455  113.208   13.640 5.349518 17.18564 
1 1 1   -3   53   14 o   63.379   12.960   14.589   5.4931   19.705   6.9444   6.0382   8.9784   73.679   14.132   49.191   18.846 24.48866 23.55574 
1 1 1   -3   55    1 o  251.165   6.0086  218.471   10.445  231.403   14.630  205.028   14.917  258.407   8.1802  243.206   8.8620 15.20134 12.06025 
1 1 1   -3   55    2 o  231.856   6.3642  186.194   10.213  211.343   14.201  159.255   14.698  246.942   8.3089  214.294   9.9097 32.64828 12.93218 
1 1 1   -3   55    3 o  184.187   7.1517  117.536   9.1169   99.297   12.162  140.933   13.775  168.860   10.458  201.581   9.8731 -32.72121 14.38208 
1 1 1   -3   55    4 o  447.658   6.2012  694.143   19.213  680.976   33.149  700.804   23.577  442.968   10.812  449.697   7.5753 -6.728882 13.20191 
1 1 1   -3   55    5 f  174.990   8.4460  106.168   10.229   91.929   12.414  136.293   18.056  162.344   11.115  197.552   13.283 -35.20853 17.31962 
1 1 1   -3   55    6 o  227.957   6.3395  180.038   10.002  177.199   13.654  183.326   14.693  226.033   8.7276  229.877   9.2352 -3.844086 12.70671 
1 1 1   -3   55    7 o  264.440   5.7621  242.255   10.546  250.125   14.425  233.219   15.457  268.582   7.7598  259.288   8.6133 9.294342 11.59322 
1 1 1   -3   55    8 o  379.950   6.1463  500.271   16.163  492.824   19.035  519.512   30.599  377.005   7.2951  386.526   11.438 -9.521729 13.56638 
1 1 1   -3   55    9 o  339.154   5.3661  398.535   12.596  394.344   17.014  403.617   18.737  337.194   7.2905  341.065   7.9376 -3.870850 10.77763 
1 1 1   -3   55   10 o   91.025   18.209   30.127   11.071   30.127   11.071   0.0000   0.0000   91.025   18.209  ?   ?  0.000000 18.20890 
1 1 1   -3   55   11 o  274.025   5.4382  260.281   10.314  257.279   13.799  264.081   15.525  272.258   7.3231  275.737   8.1350 -3.479401 10.94558 
1 1 1   -3   55   12 o  147.543   7.5367   75.806   7.6705   82.461   9.7621   65.067   12.401  153.671   9.2212  135.702   13.377 17.96881 16.24763 
1 1 1   -3   55   13 o  169.825   7.0861  100.189   8.3289  108.341   11.569   91.418   12.000  176.075   9.5291  161.461   10.801 14.61383 14.40355 
1 1 1   -3   55   14 o  117.491   9.4220   48.470   7.5972   51.467   8.3633   34.322   18.171  120.969   10.081   94.984   26.589 25.98489 28.43601 
1 1 1   -3   57    1 o   66.896   19.188   15.992   9.3461   18.361   15.593   14.665   11.676   74.817   25.316   66.258   21.898 8.559151 33.47239 
1 1 1   -3   57    2 o  357.568   5.3527  442.786   13.247  466.128   18.789  419.720   18.678  366.745   7.4024  347.985   7.7554 18.76010 10.72108 
1 1 1   -3   57    3 o  174.143   7.6231  105.114   9.1879  113.584   12.531   95.266   13.512  180.638   10.063  165.172   11.899 15.46536 15.58373 
1 1 1   -3   57    4 o   96.719   16.945   33.580   10.930   33.580   10.930   0.0000   0.0000   96.719   16.945  ?   ?  0.000000 16.94510 
1 1 1   -3   57    6 o  247.477   7.1606  212.318   12.265  218.732   21.292  209.133   15.004  250.757   12.269  245.501   8.8303 5.256363 15.11592 
1 1 1   -3   57    7 o  247.037   6.8625  211.570   11.733  205.024   18.780  215.762   15.027  242.824   11.175  249.335   8.7079 -6.510773 14.16695 
1 1 1   -3   57    8 o  105.939   11.605   39.522   8.3701   23.154   10.988   62.150   12.919   79.585   19.979  132.684   14.294 -53.09950 24.56540 
1 1 1   -3   57    9 o  215.829   7.2559  161.612   10.839  162.048   12.500  160.293   21.757  216.029   8.3605  213.589   14.809 2.439453 17.00610 
1 1 1   -3   57   10 o  214.469   6.8878  159.593   10.224  163.955   12.256  149.610   18.541  217.266   8.1502  206.557   13.036 10.70970 15.37424 
1 1 1   -3   57   11 o  121.176   9.3495   51.395   7.7806   56.476   10.017   43.668   12.353  126.702   11.550  110.181   16.724 16.52109 20.32523 
1 1 1   -3   57   12 f  175.019   10.521  107.246   12.685   0.0000   0.0000  107.246   12.685  ?   ?   175.019   10.521 0.000000 10.52062 
1 1 1   -3   57   13 o  174.117   6.7552  105.339   8.1406  117.688   10.784   88.983   12.411  183.827   8.4764  159.055   11.349 24.77237 14.16511 
1 1 1   -3   59    1 o  223.882   6.5203  173.682   10.103  170.921   14.041  176.646   14.549  221.955   9.1404  225.630   9.3166 -3.674896 13.05165 
1 1 1   -3   59    2 o  166.786   7.8858   96.455   9.1030   98.593   12.737   94.222   13.015  168.112   11.007  164.263   11.521 3.848740 15.93392 
1 1 1   -3   59    3 o  237.860   7.2061  196.125   11.863  200.296   14.200  186.488   21.584  240.293   8.5383  231.051   13.557 9.242523 16.02169 
1 1 1   -3   59    4 o  208.782   6.7429  151.085   9.7436  161.562   13.468  139.580   14.113  215.765   9.0189  200.211   10.219 15.55368 13.62979 
1 1 1   -3   59    5 o  113.057   10.875   44.833   8.4046   49.035   11.493   40.005   12.322  117.722   14.407  105.565   17.476 12.15739 22.64875 
1 1 1   -3   59    6 o  128.674   10.882   57.978   9.6006   48.151   14.787   65.139   12.623  115.635   19.146  136.025   13.590 -20.39065 23.47866 
1 1 1   -3   59    7 f  384.396   5.3609  511.993   14.262  510.734   19.814  513.347   20.546  383.693   7.4612  384.639   7.7179 -0.9466553 10.73480 
1 1 1   -3   59    8 o   65.895   17.348   15.800   8.0203   21.360   10.438   7.7871   12.531   76.401   19.634   57.440   22.197 18.96162 29.63421 
1 1 1   -3   59    9 o  124.058   10.905   54.018   9.2679   64.571   11.018   28.483   17.138  135.560   11.863   88.268   26.176 47.29238 28.73822 
1 1 1   -3   59   10 o  176.962   7.1352  108.718   8.7390  110.057   11.726  107.047   13.106  177.566   9.5771  174.894   10.881 2.671371 14.49559 
1 1 1   -3   59   11 o  140.611   8.5561   69.035   8.2871   57.410   10.878   85.114   12.793  127.492   12.488  155.574   11.973 -28.08292 17.30074 
1 1 1   -3   59   12 o  124.483   8.9528   54.268   7.6619   60.682   9.9849   45.083   11.949  131.274   11.094  111.896   15.874 19.37818 19.36630 
1 1 1   -3   61    1 o   67.216   19.059   16.252   9.2740   21.263   15.785   13.611   11.460   78.519   25.436   64.292   21.703 14.22700 33.43713 
1 1 1   -3   61    2 o  176.975   8.9659  108.991   10.946   96.585   18.428  115.754   13.607  165.462   16.304  182.171   10.841 -16.70872 19.57897 
1 1 1   -3   61    3 o  165.395   9.0029   95.244   10.267   92.127   12.330  102.293   18.542  162.407   11.035  170.369   15.909 -7.962250 19.36110 
1 1 1   -3   61    4 o  140.392   10.136   68.848   9.7831   75.152   11.464   51.951   18.769  146.539   11.393  119.197   23.586 27.34176 26.19288 
1 1 1   -3   61    5 o  198.346   6.8946  136.428   9.4648  138.486   12.989  134.098   13.820  199.659   9.3997  196.138   10.216 3.520218 13.88235 
1 1 1   -3   61    6 o  107.332   11.476   40.564   8.3928   41.026   11.562   40.050   12.203  107.079   16.098  105.510   17.311 1.568840 23.63960 
1 1 1   -3   61    7 o  130.110   9.6490   59.185   8.6271   58.729   11.580   59.755   12.932  129.043   13.150  129.888   14.641 -0.8457336 19.67953 
1 1 1   -3   61    8 f  192.802   7.1595  129.017   9.5536  137.793   12.861  118.214   14.270  199.046   9.3359  183.816   11.271 15.23004 14.63535 
1 1 1   -3   61    9 o  239.390   6.2545  198.814   10.363  198.583   14.199  199.077   15.158  238.986   8.5844  239.206   9.1558 -0.2200623 12.55073 
1 1 1   -3   61   10 o  185.588   8.2905  119.788   10.649  120.242   12.431  118.537   20.642  185.518   9.7151  182.571   16.515 2.947250 19.16040 
1 1 1   -3   61   11 o   90.682   15.341   29.777   9.2852   45.351   11.933   5.8732   14.783  112.266   15.794   58.094   23.569 54.17222 28.37153 
1 1 1   -3   63    1 o  126.814   9.8430   56.219   8.5715   60.794   11.793   51.096   12.480  131.411   13.143  119.946   15.388 11.46511 20.23655 
1 1 1   -3   63    2 o  325.219   11.329  368.098   25.499  368.098   25.499   0.0000   0.0000  325.219   11.329  ?   ?  0.000000 11.32860 
1 1 1   -3   63    3 o  271.639   5.8651  255.750   11.027  259.889   15.106  251.030   16.133  273.644   7.9761  268.869   8.6694 4.775177 11.78036 
1 1 1   -3   63    4 o  250.371   6.0788  217.315   10.534  209.897   14.351  225.981   15.511  245.859   8.4335  255.067   8.7861 -9.208740 12.17870 
1 1 1   -3   63    5 o  142.905   8.9485   71.237   8.8060   75.838   12.403   66.560   12.505  146.963   12.307  137.436   13.313 9.526947 18.13021 
1 1 1   -3   63    6 o  226.246   6.6756  177.572   10.453  184.936   14.689  170.018   14.879  230.634   9.2024  221.077   9.7240 9.557541 13.38804 
1 1 1   -3   63    7 o  237.822   6.4574  196.218   10.629  218.893   14.860  172.464   15.209  250.951   8.5556  222.591   9.8724 28.36037 13.06384 
1 1 1   -3   63    8 f   47.784   20.456  -0.0621   12.054   12.849   17.628 -11.4000   16.520   69.388   26.449   47.580   21.875 21.80758 34.32284 
1 1 1   -3   63    9 o   62.865   17.909   14.361   8.1693   5.8479   11.036   24.681   12.151   52.407   20.662   81.591   21.291 -29.18316 29.66867 
1 1 1   -3   63   10 o   50.507   18.748   7.1921   8.7294   14.585   12.905   0.9558   11.852   66.272   23.011   48.204   20.450 18.06786 30.78515 
1 1 1   -3   65    1 o  217.823   6.6480  164.563   10.022  167.995   13.972  160.925   14.384  219.858   9.1821  215.134   9.6607 4.724792 13.32817 
1 1 1   -3   65    2 o  157.645   8.3554   86.553   9.0839   97.772   12.722   74.883   12.975  167.197   11.056  145.902   12.985 21.29510 17.05400 
1 1 1   -3   65    3 o  136.504   9.3719   65.087   8.8006   65.341   12.055   64.799   12.877  136.200   12.944  135.441   13.936 0.7591553 19.01996 
1 1 1   -3   65    4 o  126.836   11.211   56.493   9.7406   71.805   15.472   46.440   12.537  142.168   16.003  113.878   16.378 28.29020 22.89769 
1 1 1   -3   65    5 o  129.541   11.577   58.990   10.270   65.137   12.109   43.239   19.384  135.904   13.034  107.533   26.270 28.37142 29.32521 
1 1 1   -3   65    6 o   95.916   13.324   32.792   8.6060   27.108   11.676   39.552   12.734   85.754   20.035  104.362   18.296 -18.60823 27.13188 
1 1 1   -3   65    7 o  107.843   13.254   41.328   9.6844   44.475   11.719   34.546   17.200  111.394   15.630   96.048   25.461 15.34515 29.87602 
1 1 1   -3   65    8 o  122.064   10.245   52.338   8.5751   44.678   11.680   61.293   12.629  111.572   15.548  131.354   14.113 -19.78223 20.99847 
1 1 1   -3   65    9 o   53.015   18.311   9.1718   8.1663 -16.7674   11.227   38.311   11.900   33.614   16.200  102.549   17.387 -68.93462 23.76471 
1 1 1   -3   67    2 o   73.584   16.981   19.807   8.4722   20.737   11.849   18.835   12.118   75.409   21.599   72.475   22.129 2.934204 30.92246 
1 1 1   -3   67    3 o  135.374   11.340   64.365   10.527   43.249   19.109   73.565   12.613  107.495   25.974  144.527   12.740 -37.03140 28.93033 
1 1 1   -3   67    4 o  207.680   6.8212  149.712   9.8047  147.243   13.616  152.372   14.130  205.659   9.5658  209.185   9.7598 -3.526215 13.66599 
1 1 1   -3   67    5 o   71.975   16.776   18.990   8.2027   30.027   11.835   8.7876   11.379   90.315   19.505   56.816   21.343 33.49871 28.91286 
1 1 1   -3   67    6 o   87.515   16.679   27.908   9.7336   37.121   11.703   7.2293   17.532  101.102   17.349   63.444   25.693 37.65729 31.00170 
1 1 1   -3   67    7 o  134.364   9.5594   63.260   8.8318   60.345   12.104   66.578   12.915  130.380   13.615  136.965   13.813 -6.584854 19.39483 
1 1 1   -3   69    1 o   28.443   13.779 -13.7496   8.3774  -9.9753   11.835 -17.5394   11.859   39.163   18.185   34.710   16.709 4.452873 24.69616 
1 1 1   -3   69    2 o   83.882   15.032   25.456   8.4065   41.249   12.164   11.015   11.631  106.842   17.020   60.186   21.755 46.65580 27.62161 
1 1 1   -3   69    3 o  131.081   9.8995   60.223   8.9149   50.543   12.553   70.072   12.663  118.820   15.645  140.814   13.145 -21.99487 20.43412 
1 1 1   -3   69    4 o  172.084   9.2938  103.459   11.028  112.098   19.188   99.198   13.476  177.614   15.773  168.032   11.660 9.581879 19.61461 
1 1 1   -3   69    5 o  164.682   7.9372   94.343   9.0468   98.656   13.069   90.375   12.536  167.581   11.335  160.354   11.369 7.227478 16.05376 
1 1 1   -3   71    1 o  115.769   13.201   47.639   10.388   43.346   12.389   57.805   19.065  109.428   16.902  124.788   22.918 -15.35985 28.47684 
1 1 1   -3   71    2 o  115.023   13.347   47.078   10.428   72.878   17.965   33.968   12.806  141.875   18.756   95.794   19.963 46.08044 27.39170 
1 1 1   -2    0    1 o  2062.04   19.536 14721.53  278.755 14721.53  278.755 14721.53  278.755  2062.04   19.536  2062.04   19.536 0.000000 0.000000 
1 1 1   -2    0    2 o  2023.71   19.204 14179.32  268.924 14179.32  268.924 14179.32  268.924  2023.71   19.204  2023.71   19.204 0.000000 0.000000 
1 1 1   -2    0    3 o  689.599   7.6540  1646.33   36.521  1646.33   36.521  1646.33   36.521  689.599   7.6540  689.599   7.6540 0.000000 0.000000 
1 1 1   -2    0    4 o  2167.38   20.532 16265.38  307.929 16265.38  307.929 16265.38  307.929  2167.38   20.532  2167.38   20.532 0.000000 0.000000 
1 1 1   -2    0    5 o  222.274   5.5475  171.296   8.5222  171.296   8.5222  171.296   8.5222  222.274   5.5475  222.274   5.5475 0.000000 0.000000 
1 1 1   -2    0    6 o  131.691   7.0241   60.529   6.3605   60.529   6.3605   60.529   6.3605  131.691   7.0241  131.691   7.0241 0.000000 0.000000 
1 1 1   -2    0    7 o  1205.78   12.026  5034.51  100.338  5034.51  100.338  5034.51  100.338  1205.78   12.026  1205.78   12.026 0.000000 0.000000 
1 1 1   -2    0    8 o  234.025   6.1669  189.953   9.9730  189.953   9.9730  189.953   9.9730  234.025   6.1669  234.025   6.1669 0.000000 0.000000 
1 1 1   -2    0    9 o  611.755   7.4127  1295.95   31.375  1295.95   31.375  1295.95   31.375  611.755   7.4127  611.755   7.4127 0.000000 0.000000 
1 1 1   -2    0   10 o  2081.24   19.838 15012.20  285.699 15012.20  285.699 15012.20  285.699  2081.24   19.838  2081.24   19.838 0.000000 0.000000 
1 1 1   -2    0   11 o  673.216   11.202  1570.24   52.162  1570.24   52.162  1570.24   52.162  673.216   11.202  673.216   11.202 0.000000 0.000000 
1 1 1   -2    0   12 o  282.483   6.9474  276.685   13.564  276.685   13.564  276.685   13.564  282.483   6.9474  282.483   6.9474 0.000000 0.000000 
1 1 1   -2    0   13 o  153.367   10.297   82.533   10.817   82.533   10.817   82.533   10.817  153.367   10.297  153.367   10.297 0.000000 0.000000 
1 1 1   -2    0   14 o  1042.78   10.850  3767.37   78.290  3767.37   78.290  3767.37   78.290  1042.78   10.850  1042.78   10.850 0.000000 0.000000 
1 1 1   -2    0   15 o  490.722   7.2919  834.380   24.753  834.380   24.753  834.380   24.753  490.722   7.2919  490.722   7.2919 0.000000 0.000000 
1 1 1   -2    0   16 o  274.794   7.7186  262.249   14.654  262.249   14.654  262.249   14.654  274.794   7.7186  274.794   7.7186 0.000000 0.000000 
1 1 1   -2    0   17 o  342.509   10.090  408.488   23.872  408.488   23.872  408.488   23.872  342.509   10.090  342.509   10.090 0.000000 0.000000 
1 1 1   -2    0   18 f  221.175   8.6095  170.767   13.134  170.767   13.134  170.767   13.134  221.175   8.6095  221.175   8.6095 0.000000 0.000000 
1 1 1   -2    0   19 o  282.935   7.9367  279.235   15.514  279.235   15.514  279.235   15.514  282.935   7.9367  282.935   7.9367 0.000000 0.000000 
1 1 1   -2    0   20 o  128.115   20.490   63.805   16.775   63.805   16.775   63.805   16.775  128.115   20.490  128.115   20.490 0.000000 0.000000 
1 1 1   -2    0   21 f  154.822   10.901   86.230   11.548   86.230   11.548   86.230   11.548  154.822   10.901  154.822   10.901 0.000000 0.000000 
1 1 1   -2    0   22 o  253.589   8.5213  228.804   14.918  228.804   14.918  228.804   14.918  253.589   8.5213  253.589   8.5213 0.000000 0.000000 
1 1 1   -2    2    1 f  2204.27   14.742 16818.48  224.906 17848.78  479.908 16528.51  254.594  2269.85   30.548  2185.10   16.834 84.74219 34.87963 
1 1 1   -2    2    2 o  1978.95   13.289 13555.31  182.018 13663.80  259.662 13450.50  255.219  1986.64   18.885  1971.08   18.708 15.55981 26.58249 
1 1 1   -2    2    3 o  1042.46   8.5939  3761.02   62.005  3740.12   75.485  3804.39  108.718  1039.54   10.492  1048.35   14.984 -8.818604 18.29168 
1 1 1   -2    2    4 o  1768.61   13.818 10827.36  169.139 10853.65  207.715 10775.61  291.387  1770.64   16.950  1763.92   23.868 6.716553 29.27399 
1 1 1   -2    2    5 o  1375.06   10.982  6544.42  104.519  6439.02  178.020  6599.85  129.116  1363.69   18.862  1380.80   13.510 -17.11353 23.20111 
1 1 1   -2    2    6 o  1652.58   11.257  9453.44  128.754  9350.97  179.931  9560.97  184.319  1643.39   15.819  1661.72   16.026 -18.33936 22.51879 
1 1 1   -2    2    7 f  1141.06   11.464  4508.00   90.538  4564.39  129.539  4454.15  126.591  1147.87   16.305  1133.93   16.130 13.93433 22.93583 
1 1 1   -2    2    8 o  1482.31   14.443  7614.62  148.170  7624.39  209.686  7604.88  209.402  1482.20   20.440  1480.30   20.439 1.897583 28.90581 
1 1 1   -2    2    9 o  249.485   4.5468  215.421   7.8510  227.367   11.328  204.380   10.891  256.294   6.3862  242.992   6.4757 13.30173 9.094974 
1 1 1   -2    2   10 o   72.625   12.821   18.808   6.2087   22.238   7.6587   12.234   10.604   78.878   14.565   61.731   20.877 17.14743 25.45552 
1 1 1   -2    2   11 o  765.650   6.0600  2028.91   32.113  2042.22   45.666  2015.89   45.167  768.107   8.5900  763.141   8.5515 4.966553 12.12090 
1 1 1   -2    2   12 o  634.598   5.4736  1393.78   24.041  1396.58   34.083  1391.00   33.916  635.200   7.7525  633.931   7.7301 1.268738 10.94790 
1 1 1   -2    2   13 o  922.054   8.0300  2943.05   51.245  2929.76   88.258  2949.82   62.941  919.678   13.866  923.039   9.8522 -3.360779 17.00952 
1 1 1   -2    2   14 o  426.293   5.8300  629.017   17.201  615.062   20.820  659.024   30.530  421.514   7.1366  436.243   10.112 -14.72916 12.37657 
1 1 1   -2    2   15 o  400.118   5.0510  554.153   13.988  567.899   20.078  541.190   19.497  405.001   7.1630  395.363   7.1252 9.637482 10.10333 
1 1 1   -2    2   16 o  299.334   5.2928  310.203   10.965  314.045   15.478  306.331   15.536  301.119   7.4269  297.394   7.5481 3.725372 10.58926 
1 1 1   -2    2   17 f  150.540   7.6518   78.734   7.9462   74.416   11.247   83.038   11.228  146.000   11.216  154.343   10.575 -8.342667 15.41531 
1 1 1   -2    2   18 o  193.680   6.4517  129.990   8.6483  149.561   12.337  111.079   12.127  207.639   8.5846  178.606   9.8484 29.03273 13.06467 
1 1 1   -2    2   19 o  139.410   11.606   68.120   11.097   0.0000   0.0000   68.120   11.097  ?   ?   139.410   11.606 0.000000 11.60650 
1 1 1   -2    2   20 o   45.941   19.483   0.6019   10.751   0.6019   10.751   0.0000   0.0000   45.941   19.483  ?   ?  0.000000 19.48256 
1 1 1   -2    2   21 o  118.040   9.4674   48.860   7.6695   57.612   11.156   41.017   10.561  127.599   12.805  107.037   14.640 20.56168 19.44968 
1 1 1   -2    2   22 o  133.718   10.462   62.964   9.6052   69.583   11.629   48.756   17.039  140.217   12.102  113.973   22.399 26.24405 25.45908 
1 1 1   -2    4    1 o  1710.22   11.569 10123.20  136.941 10202.03  195.320 10046.99  192.048  1716.73   16.439  1703.64   16.288 13.08972 23.14122 
1 1 1   -2    4    2 f  2148.91   14.383 15984.19  213.920 15898.08  300.611 16072.54  304.484  2142.85   20.269  2154.56   20.419 -11.71729 28.77089 
1 1 1   -2    4    4 o  1723.13   11.688 10276.95  139.395 10124.62  158.233 10804.88  294.569  1710.26   13.368  1766.29   24.096 -56.03052 27.55578 
1 1 1   -2    4    5 o  2436.46   16.253 20551.80  274.076 20691.37  390.454 20416.24  384.811  2444.19   23.081  2427.90   22.900 16.28809 32.51402 
1 1 1   -2    4    6 o  1062.85   8.7930  3909.91   64.683  3988.29  114.134  3872.82   78.507  1073.26   15.365  1057.75   10.724 15.50952 18.73720 
1 1 1   -2    4    7 o  996.109   7.2435  3434.45   49.938  3433.65   70.608  3435.24   70.637  995.883   10.244  996.114   10.246 -0.2300415 14.48852 
1 1 1   -2    4    8 o  1162.97   9.5234  4683.35   76.654  4704.46   94.377  4642.44  131.401  1165.40   11.701  1157.16   16.407 8.240234 20.15185 
1 1 1   -2    4    9 o  965.446   7.1114  3226.47   47.518  3294.17   68.495  3163.66   65.977  975.377   10.146  955.869   9.9728 19.50726 14.22693 
1 1 1   -2    4   10 o  933.008   6.9412  3013.04   44.823  3049.51   64.100  2978.15   62.700  938.540   9.8680  927.498   9.7674 11.04169 13.88455 
1 1 1   -2    4   11 o  577.182   5.1542  1152.96   20.590  1148.54   29.047  1157.41   29.191  576.050   7.2855  578.270   7.2935 -2.219971 10.30893 
1 1 1   -2    4   12 f  923.321   8.0498  2950.92   51.441  3052.68   92.501  2905.36   61.895  938.865   14.235  916.113   9.7618 22.75195 17.26081 
1 1 1   -2    4   13 o  721.530   5.9226  1801.91   29.576  1851.71   42.785  1756.32   40.931  731.368   8.4524  712.284   8.3027 19.08331 11.84818 
1 1 1   -2    4   14 o  681.689   5.7853  1608.49   27.296  1598.57   38.463  1618.55   38.742  679.508   8.1785  683.740   8.1868 -4.231934 11.57201 
1 1 1   -2    4   15 o  517.881   6.0397  928.454   21.648  951.017   26.883  886.829   36.513  524.090   7.4113  505.963   10.427 18.12671 12.79230 
1 1 1   -2    4   16 o  214.211   6.1726  158.887   9.1514  180.006   13.080  138.638   12.808  227.949   8.2910  200.022   9.2518 27.92709 12.42319 
1 1 1   -2    4   17 o  164.146   7.1944   93.356   8.1734  101.240   11.761   85.991   11.367  170.547   10.007  157.079   10.517 13.46782 14.51705 
1 1 1   -2    4   18 o   89.164   17.340   28.719   10.315   0.0000   0.0000   28.719   10.315  ?   ?    89.164   17.340 0.000000 17.33956 
1 1 1   -2    4   19 o  410.019   5.9618  582.704   16.918  575.053   20.504  599.024   29.946  407.159   7.2761  415.039   10.425 -7.880554 12.71301 
1 1 1   -2    4   20 o   50.101   19.813   5.0643   10.176   0.0000   0.0000   5.0643   10.176  ?   ?    50.101   19.813 0.000000 19.81283 
1 1 1   -2    4   21 o  249.225   6.7165  215.708   11.585  242.195   20.335  202.980   14.097  263.266   11.160  241.515   8.4334 21.75145 13.98844 
1 1 1   -2    4   22 o   88.447   13.637   28.213   8.0794   27.245   11.416   29.185   11.437   85.365   19.719   88.516   19.219 -3.150055 27.53534 
1 1 1   -2    6    1 o  1670.52   11.333  9658.63  131.029  9575.28  183.463  9745.41  187.200  1663.17   15.938  1677.87   16.120 -14.70496 22.66895 
1 1 1   -2    6    2 o  1883.20   12.681 12275.13  165.279 12465.68  237.682 12096.72  229.989  1897.57   18.098  1869.29   17.777 28.27991 25.36808 
1 1 1   -2    6    3 o  811.528   7.0333  2279.20   39.504  2245.65   47.829  2351.22   70.075  805.520   8.5790  824.196   12.284 -18.67596 14.98349 
1 1 1   -2    6    4 o  2331.77   15.580 18822.08  251.440 18473.17  348.181 19202.36  363.491  2309.68   21.781  2354.78   22.303 -45.10498 31.17437 
1 1 1   -2    6    5 o  867.681   9.1936  2605.73   55.210  2659.02   79.509  2556.10   76.724  876.445   13.107  859.319   12.900 17.12646 18.39077 
1 1 1   -2    6    6 o  783.692   6.9607  2125.63   37.755  2204.39   67.829  2090.27   45.446  797.981   12.281  777.125   8.4494 20.85522 14.90718 
1 1 1   -2    6    7 o  809.228   6.1754  2266.55   34.587  2263.63   48.874  2269.48   48.953  808.636   8.7327  809.681   8.7355 -1.044922 12.35184 
1 1 1   -2    6    8 o  950.211   6.9984  3125.63   46.025  3173.50   66.042  3080.43   64.176  957.289   9.9679  943.158   9.8314 14.13153 14.00050 
1 1 1   -2    6    9 o  1253.01   12.470  5437.78  108.139  5437.78  108.139   0.0000   0.0000  1253.01   12.470  ?   ?  0.000000 12.46960 
1 1 1   -2    6   10 o  553.068   5.0310  1058.64   19.258  1062.14   27.290  1055.17   27.180  553.953   7.1180  552.132   7.1125 1.821106 10.06246 
1 1 1   -2    6   11 o  195.145   5.3578  131.797   7.2364  128.219   10.287  135.303   10.182  192.468   7.7223  197.714   7.4406 -5.246536 10.72358 
1 1 1   -2    6   12 o  1074.09   7.7998  3993.29   57.983  4055.62   83.272  3934.62   80.786  1082.31   11.116  1066.05   10.949 16.25977 15.60324 
1 1 1   -2    6   13 o  1272.37   12.728  5607.06  112.090   0.0000   0.0000  5607.06  112.090  ?   ?   1272.37   12.728 0.000000 12.72849 
1 1 1   -2    6   14 o  404.217   4.9885  565.523   13.956  573.617   19.775  557.491   19.699  407.065   7.0191  401.301   7.0924 5.764099 9.978486 
1 1 1   -2    6   15 o  798.775   7.3436  2209.17   40.598  2219.72   50.021  2188.78   69.497  800.572   9.0276  794.664   12.636 5.907715 15.52947 
1 1 1   -2    6   16 o  548.105   5.3194  1040.09   20.179  1049.63   28.665  1030.72   28.411  550.488   7.5237  545.505   7.5251 4.982422 10.64114 
1 1 1   -2    6   17 o  281.865   5.3444  275.124   10.426  285.973   14.906  264.733   14.588  287.272   7.4972  276.392   7.6259 10.88046 10.69409 
1 1 1   -2    6   18 o  199.456   7.3961  137.925   10.210  125.122   18.423  143.600   12.266  188.985   14.189  203.445   8.7111 -14.46039 16.64952 
1 1 1   -2    6   19 o   49.286   18.251   6.6782   8.2626   6.2195   14.308   6.9076   10.121   58.378   23.361   52.641   20.046 5.737255 30.78291 
1 1 1   -2    6   20 f   61.494   16.779   13.739   7.3401   10.150   10.608   17.036   10.167   57.840   20.793   68.663   20.106 -10.82253 28.92397 
1 1 1   -2    6   21 o  271.803   6.5506  256.527   12.323  272.672   15.280  226.488   20.842  280.012   7.8843  254.416   11.836 25.59607 14.22190 
1 1 1   -2    6   22 f   78.907   15.376   22.808   8.0956   19.919   11.437   25.710   11.461   73.214   21.292   82.799   20.183 -9.585793 29.33775 
1 1 1   -2    8    1 o  986.854   7.1063  3370.39   48.537  3278.46   66.790  3473.26   70.656  973.274   9.9152  1001.77   10.191 -28.49548 14.21831 
1 1 1   -2    8    2 o  2983.91   22.848 30832.13  471.862 30379.13  568.177 31839.03  847.083  2961.44   27.721  3030.12   40.391 -68.67285 48.98883 
1 1 1   -2    8    3 o  3571.00   23.610 44162.10  583.522 43662.82  814.604 44688.29  836.271  3549.47   33.159  3590.83   33.649 -41.36133 47.24212 
1 1 1   -2    8    4 o  2031.88   13.656 14290.98  192.041 14365.62  273.117 14217.99  270.082  2036.89   19.373  2026.41   19.257 10.48682 27.31593 
1 1 1   -2    8    5 o  909.395   7.7324  2862.19   48.668  2893.70   59.979  2801.46   83.272  914.362   9.4777  899.599   13.374 14.76318 16.39200 
1 1 1   -2    8    6 f  185.296   4.3482  118.823   5.5763  113.229   6.2996  139.073   11.986  180.880   5.0321  200.449   8.6395 -19.56972 9.998124 
1 1 1   -2    8    7 o  875.876   9.3438  2656.00   56.642  2616.58   79.062  2697.56   81.189  869.161   13.143  882.498   13.293 -13.33752 18.69295 
1 1 1   -2    8    8 o  801.935   6.1698  2226.09   34.244  2208.03   48.051  2244.72   48.815  798.571   8.6939  805.174   8.7596 -6.602417 12.34155 
1 1 1   -2    8    9 o  1177.69   9.6418  4801.96   78.590  4834.82   97.088  4739.51  133.848  1181.57   11.872  1169.46   16.537 12.10474 20.35704 
1 1 1   -2    8   10 o  1198.65   9.8350  4973.92   81.591  5028.31  100.909  4871.22  138.664  1205.07   12.099  1185.77   16.896 19.29761 20.78115 
1 1 1   -2    8   11 o  1028.42   8.6508  3661.02   61.575  3680.98  106.946  3651.13   75.311  1030.96   14.988  1026.97   10.596 3.990234 18.35504 
1 1 1   -2    8   12 o  552.594   5.1188  1056.82   19.577  1057.60   27.756  1056.05   27.618  552.769   7.2549  552.364   7.2241 0.4050903 10.23822 
1 1 1   -2    8   13 o  555.629   5.2154  1068.51   20.056  1070.51   28.537  1066.56   28.194  556.108   7.4143  555.081   7.3388 1.026733 10.43216 
1 1 1   -2    8   14 o  772.044   6.2065  2063.24   33.164  2096.22   47.478  2031.82   46.345  778.081   8.8163  766.040   8.7413 12.04077 12.41524 
1 1 1   -2    8   15 o  365.935   5.0327  463.520   12.746  449.154   17.848  478.474   18.209  360.172   7.1598  371.744   7.0774 -11.57184 10.06737 
1 1 1   -2    8   16 o  395.911   5.8539  542.739   16.040  546.401   19.519  535.122   28.152  397.191   7.1003  392.884   10.353 4.307007 12.55391 
1 1 1   -2    8   17 o  250.605   6.2937  217.548   10.916  200.683   18.414  226.688   13.555  240.449   11.065  255.755   7.6578 -15.30652 13.45615 
1 1 1   -2    8   18 o  247.158   6.5925  211.713   11.277  217.044   13.755  200.781   19.697  250.166   7.9441  240.291   11.844 9.874725 14.26114 
1 1 1   -2    8   19 o   50.064   16.940   8.1827   6.9817   5.3699   9.8848   10.983   9.8625   50.119   19.617   58.412   20.126 -8.292789 28.10511 
1 1 1   -2    8   20 o  214.605   6.8707  159.841   10.205  160.324   12.742  158.976   17.043  214.756   8.5727  213.144   11.596 1.611343 14.42108 
1 1 1   -2    8   21 o  235.731   5.9875  192.857   9.7688  198.430   13.758  187.192   13.873  238.791   8.3248  231.880   8.6441 6.910797 12.00092 
1 1 1   -2    8   22 o  181.158   8.6817  114.519   10.885  102.959   13.101  140.293   19.562  170.969   11.132  198.618   14.326 -27.64859 18.14319 
1 1 1   -2   10    1 o  724.876   7.9351  1818.48   39.810   0.0000   0.0000  1818.48   39.810  ?   ?   724.876   7.9351 0.000000 7.935054 
1 1 1   -2   10    2 o  2004.22   13.465 13904.04  186.775 13751.13  260.877 14064.85  267.527  1992.94   18.913  2015.53   19.178 -22.59180 26.93512 
1 1 1   -2   10    3 o  1220.71   8.5413  5157.23   72.163  5057.36  100.005  5265.72  104.233  1208.77   11.954  1233.42   12.210 -24.64368 17.08726 
1 1 1   -2   10    4 o  2681.20   25.241 24902.42  468.392   0.0000   0.0000 24902.42  468.392  ?   ?   2681.20   25.241 0.000000 25.24078 
1 1 1   -2   10    5 o  956.252   6.9839  3164.71   46.222  3131.56   64.688  3199.29   66.069  951.185   9.8262  961.415   9.9291 -10.23016 13.96924 
1 1 1   -2   10    6 o  1603.48   10.953  8901.06  121.552  8891.01  140.065  8931.71  244.634  1602.48   12.629  1605.31   22.018 -2.831055 25.38279 
1 1 1   -2   10    7 o  577.861   5.8311  1155.80   23.321  1186.73   28.901  1098.05   39.486  585.514   7.1317  563.125   10.131 22.38849 12.38961 
1 1 1   -2   10    8 o  1759.41   13.813 10726.17  168.206 10726.17  168.206   0.0000   0.0000  1759.41   13.813  ?   ?  0.000000 13.81332 
1 1 1   -2   10    9 f  832.947   6.3711  2401.41   36.729  2465.01   53.144  2343.26   50.819  843.817   9.0998  822.722   8.9248 21.09534 12.74594 
1 1 1   -2   10   10 o  599.771   5.2562  1244.98   21.819  1260.68   31.118  1229.81   30.602  603.507   7.4499  596.074   7.4177 7.433655 10.51301 
1 1 1   -2   10   11 o  855.434   6.5396  2532.70   38.718  2556.39   55.313  2509.94   54.216  859.362   9.2998  851.520   9.1992 7.841309 13.08102 
1 1 1   -2   10   12 o  305.415   4.7674  322.826   10.077  336.255   14.559  310.473   13.963  311.688   6.7488  299.501   6.7361 12.18738 9.535218 
1 1 1   -2   10   13 o  1135.13   8.1788  4460.68   64.256  4588.49   93.537  4346.46   88.423  1151.06   11.741  1120.31   11.404 30.74353 16.36762 
1 1 1   -2   10   14 o  712.284   8.3127  1756.61   40.980  1784.88   59.577  1731.22   56.459  717.795   11.992  706.951   11.539 10.84406 16.64205 
1 1 1   -2   10   15 o  286.460   5.2608  284.057   10.430  288.708   14.946  279.641   14.563  288.752   7.4785  284.183   7.4042 4.568878 10.52380 
1 1 1   -2   10   16 o  315.418   5.1760  344.446   11.300  363.130   16.442  327.725   15.555  323.783   7.3371  307.595   7.3065 16.18793 10.35460 
1 1 1   -2   10   17 o  223.710   6.8283  173.395   10.572  189.902   19.312  166.331   12.634  233.522   11.989  219.041   8.3335 14.48061 14.60094 
1 1 1   -2   10   18 o  317.942   5.1378  350.147   11.306  350.460   16.084  349.840   15.895  317.932   7.3094  317.657   7.2300 0.2749023 10.28102 
1 1 1   -2   10   19 o  215.600   5.9865  161.134   8.9330  170.464   12.751  152.140   12.519  221.579   8.3145  209.304   8.6418 12.27516 11.99216 
1 1 1   -2   10   20 o  318.272   6.0852  351.362   13.404  366.293   24.024  344.612   16.153  324.174   10.707  315.023   7.4084 9.150696 13.02042 
1 1 1   -2   10   21 o  130.555   8.9746   59.650   8.0601   55.596   11.129   64.123   11.689  125.229   13.031  134.658   12.692 -9.429764 18.19038 
1 1 1   -2   12    1 o  1643.62   12.898  9350.79  146.729  9355.48  179.865  9341.46  253.695  1643.95   15.808  1642.44   22.317 1.502930 27.34896 
1 1 1   -2   12    2 o  1547.20   10.569  8285.30  113.181  8228.75  158.870  8343.58  161.283  1541.80   14.888  1552.51   15.010 -10.71643 21.14114 
1 1 1   -2   12    3 o  1572.09   10.735  8554.14  116.801  8410.37  162.201  8709.00  168.334  1558.69   15.035  1586.11   15.334 -27.42078 21.47557 
1 1 1   -2   12    4 o  1159.50   9.4703  4653.23   76.000  4609.33   91.963  4747.81  134.977  1153.97   11.514  1171.03   16.654 -17.05896 20.24676 
1 1 1   -2   12    7 o  504.505   6.6244  881.058   23.131  881.058   23.131   0.0000   0.0000  504.505   6.6244  ?   ?  0.000000 6.624398 
1 1 1   -2   12    8 o  760.969   6.9233  2004.53   36.463  1996.35   44.400  2021.46   63.908  759.360   8.4480  763.942   12.087 -4.582520 14.74665 
1 1 1   -2   12    9 o  495.736   5.5638  850.567   19.090  850.028   23.167  851.707   33.693  495.562   6.7545  495.994   9.8150 -0.4321289 11.91459 
1 1 1   -2   12   10 o  805.622   12.688  2247.32   70.747   0.0000   0.0000  2247.32   70.747  ?   ?   805.622   12.688 0.000000 12.68811 
1 1 1   -2   12   11 o  712.256   6.7663  1755.86   33.355  1755.97   40.629  1755.61   58.420  712.253   8.2418  712.090   11.854 0.1638184 14.43733 
1 1 1   -2   12   12 o  564.144   5.1687  1101.48   20.181  1137.95   29.312  1068.61   27.827  573.374   7.3863  555.633   7.2360 17.74146 10.34008 
1 1 1   -2   12   13 o  1035.58   8.7432  3712.83   62.666  3701.39   76.817  3735.61  108.352  1033.87   10.735  1038.30   15.078 -4.434326 18.50908 
1 1 1   -2   12   14 o  901.425   6.8725  2812.97   42.877  2851.36   61.474  2776.60   59.834  907.385   9.7886  895.420   9.6548 11.96515 13.74887 
1 1 1   -2   12   15 o  377.819   4.9936  494.127   13.058  507.506   18.821  481.710   18.132  382.843   7.1030  372.989   7.0236 9.854309 9.989196 
1 1 1   -2   12   16 o  144.038   7.8199   72.089   7.7665   73.830   11.226   70.492   10.756  145.462   11.238  142.139   11.019 3.323288 15.73925 
1 1 1   -2   12   17 o  126.366   10.237   55.775   8.8765   54.445   10.472   59.171   16.731  124.580   12.306  128.728   19.380 -4.148033 22.95700 
1 1 1   -2   12   18 f  160.640   7.0785   89.465   7.8699   78.611   10.996  100.863   11.269  150.033   10.659  170.167   9.6071 -20.13426 14.34942 
1 1 1   -2   12   19 o  110.329   10.735   42.756   8.0932   43.050   10.249   42.268   13.191  110.198   13.736  108.224   18.260 1.974693 22.84984 
1 1 1   -2   12   20 o  114.203   9.8630   45.749   7.7193   55.798   10.930   35.747   10.904  125.699   12.739   99.533   16.399 26.16509 20.76614 
1 1 1   -2   12   21 o  133.364   12.516   62.890   11.417   0.0000   0.0000   62.890   11.417  ?   ?   133.364   12.516 0.000000 12.51590 
1 1 1   -2   14    1 o  310.372   5.4534  333.373   11.715   0.0000   0.0000  333.373   11.715  ?   ?   310.372   5.4534 0.000000 5.453357 
1 1 1   -2   14    2 o  1155.24   8.1539  4618.87   65.195  4587.98   91.548  4650.65   92.867  1151.32   11.489  1159.15   11.576 -7.834717 16.30915 
1 1 1   -2   14    3 f  1008.52   8.3864  3520.18   58.538  3439.02   98.713  3564.19   72.700  996.715   14.310  1014.77   10.351 -18.05774 17.66097 
1 1 1   -2   14    4 o  1296.52   9.0304  5818.03   81.033  5744.80  113.050  5895.40  116.211  1288.23   12.679  1305.00   12.866 -16.77039 18.06416 
1 1 1   -2   14    5 o  1739.51   11.809 10475.57  142.172 10397.25  199.410 10556.53  202.755  1732.65   16.629  1745.86   16.780 -13.20813 23.62364 
1 1 1   -2   14    6 f  619.697   5.1844  1329.12   22.236  1297.02   30.804  1364.04   32.130  612.128   7.2709  627.741   7.3953 -15.61298 10.37097 
1 1 1   -2   14    7 o  612.519   6.0302  1298.66   25.564  1277.31   30.664  1347.32   46.292  607.428   7.2938  623.715   10.724 -16.28766 12.96900 
1 1 1   -2   14    8 o  1672.87   11.420  9691.43  132.228  9736.31  153.297  9560.98  261.341  1676.53   13.211  1659.78   22.750 16.75513 26.30776 
1 1 1   -2   14    9 o  1150.25   9.4547  4580.34   75.269  4650.17   93.186  4449.27  127.670  1158.88   11.618  1133.25   16.277 25.62231 19.99843 
1 1 1   -2   14   10 o  794.547   6.2138  2184.97   34.171  2206.36   39.587  2122.44   67.677  798.410   7.1640  782.935   12.489 15.47467 14.39816 
1 1 1   -2   14   11 o  598.886   6.1720  1241.35   25.583  1237.93   30.922  1248.78   45.545  598.041   7.4706  600.589   10.957 -2.547668 13.26135 
1 1 1   -2   14   12 o  852.462   7.6034  2515.42   44.860  2542.01   55.234  2463.90   76.894  856.899   9.3132  843.466   13.172 13.43304 16.13174 
1 1 1   -2   14   13 o  418.875   5.7085  607.298   16.549  619.801   20.160  581.463   28.979  423.146   6.8838  409.780   10.218 13.36652 12.32040 
1 1 1   -2   14   15 o  393.599   6.9162  536.432   18.841   0.0000   0.0000  536.432   18.841  ?   ?   393.599   6.9162 0.000000 6.916245 
1 1 1   -2   14   16 o  398.533   5.0106  549.908   13.821  561.116   19.903  539.470   19.207  402.471   7.1449  394.638   7.0321 7.833008 10.02499 
1 1 1   -2   14   17 o  272.280   5.2399  256.751   9.8746  250.210   13.702  263.819   14.243  268.689   7.3680  275.893   7.4593 -7.204742 10.48468 
1 1 1   -2   14   18 o  294.149   6.0616  299.841   12.341  300.749   14.549  297.512   23.299  294.515   7.1375  292.473   11.510 2.042419 13.54327 
1 1 1   -2   14   19 o  220.860   5.7324  169.085   8.7625  158.078   12.113  181.167   12.691  213.364   8.2029  228.432   8.0271 -15.06816 11.47703 
1 1 1   -2   14   20 o  110.491   9.9220   42.860   7.5067   47.275   10.389   38.037   10.859  115.480   13.237  102.869   15.754 12.61095 20.57671 
1 1 1   -2   14   21 o  275.018   5.5132  262.436   10.494  257.339   14.712  267.715   14.972  271.970   7.8160  277.402   7.7984 -5.431854 11.04103 
1 1 1   -2   16    1 o  1848.30   14.417 11825.91  184.428 11767.71  224.614 11946.34  323.100  1843.60   17.603  1857.08   25.138 -13.47388 30.68863 
1 1 1   -2   16    2 o  794.601   6.0538  2185.10   33.293  2161.66   46.614  2209.52   47.567  790.303   8.5221  799.003   8.6017 -8.700134 12.10847 
1 1 1   -2   16    3 o  2043.96   15.872 14464.43  224.533 14248.30  270.232 14946.34  403.519  2028.40   19.249  2076.67   28.075 -48.26404 34.04010 
1 1 1   -2   16    4 o  714.714   5.6360  1767.85   27.879  1768.14   39.396  1767.57   39.458  714.745   7.9640  714.628   7.9776 0.1166992 11.27242 
1 1 1   -2   16    5 o  1210.30   8.5174  5070.54   71.347  4968.27   98.735  5182.30  103.214  1197.87   11.909  1223.38   12.190 -25.51367 17.04185 
1 1 1   -2   16    6 o  884.073   7.5882  2705.70   46.430  2762.67   58.137  2605.37   77.151  893.245   9.4038  867.236   12.854 26.00970 15.92630 
1 1 1   -2   16    8 o  1256.19   8.8335  5462.92   76.801  5487.65   88.909  5390.24  152.440  1258.94   10.204  1247.07   17.662 11.87219 20.39726 
1 1 1   -2   16    9 o  882.413   7.7294  2695.21   47.206  2725.44   58.199  2637.07   80.706  887.295   9.4771  872.641   13.363 14.65479 16.38217 
1 1 1   -2   16   10 o  821.312   6.3579  2334.65   36.141  2328.24   41.419  2355.12   73.986  820.165   7.2966  824.724   12.962 -4.559998 14.87437 
1 1 1   -2   16   11 o  1201.06   8.5543  4993.35   71.109  5063.37   83.021  4800.49  137.781  1209.39   9.9184  1177.17   16.911 32.22034 19.60516 
1 1 1   -2   16   12 f  370.825   8.8751  476.049   22.778  476.049   22.778   0.0000   0.0000  370.825   8.8751  ?   ?  0.000000 8.875133 
1 1 1   -2   16   13 o  354.014   5.0671  433.771   12.415  444.177   14.341  402.634   24.806  358.227   5.7841  340.979   10.511 17.24756 11.99739 
1 1 1   -2   16   14 o  874.624   7.8261  2648.64   47.375  2722.71   59.227  2517.07   78.937  886.645   9.6515  852.183   13.384 34.46155 16.50058 
1 1 1   -2   16   15 o  343.728   5.8634  409.054   13.949  414.462   16.870  397.366   24.801  345.957   7.0457  338.603   10.583 7.354340 12.71352 
1 1 1   -2   16   16 o  446.267   6.2922  689.760   19.435  688.479   24.009  692.195   33.099  445.754   7.7823  446.703   10.706 -0.9481506 13.23544 
1 1 1   -2   16   17 o   95.127   12.506   31.994   8.0345   33.185   9.3387   28.600   15.763   96.592   14.410   88.808   24.731 7.783966 28.62276 
1 1 1   -2   16   18 o  220.673   6.7065  168.819   10.243  164.374   12.016  180.634   19.591  217.668   7.9760  227.426   12.494 -9.757614 14.82313 
1 1 1   -2   16   19 o  284.804   5.2751  281.110   10.398  275.820   14.323  287.005   15.120  281.918   7.3406  287.548   7.5972 -5.630463 10.56414 
1 1 1   -2   16   20 o  220.492   6.7782  168.775   10.344  154.293   16.854  177.526   13.102  209.858   11.649  225.948   8.3780 -16.08961 14.34929 
1 1 1   -2   16   21 o  165.412   7.2901   95.143   8.3460   90.857   11.390  100.112   12.265  160.944   10.279  168.916   10.543 -7.971954 14.72468 
1 1 1   -2   18    1 o  1295.13   9.0274  5805.52   80.920  5631.47  110.769  6004.69  118.497  1275.48   12.548  1317.06   12.999 -41.57397 18.06745 
1 1 1   -2   18    2 o  2060.13   19.593 14698.48  279.362 14473.17  387.827 14941.46  402.752  2043.53   27.421  2076.25   28.027 -32.72693 39.21001 
1 1 1   -2   18    3 o  1223.75   8.5940  5183.33   72.789  5116.27  101.549  5254.20  104.388  1215.70   12.069  1231.97   12.243 -16.27185 17.19134 
1 1 1   -2   18    4 o  1156.97   11.594  4634.37   92.842  4634.37   92.842   0.0000   0.0000  1156.97   11.594  ?   ?  0.000000 11.59428 
1 1 1   -2   18    5 o  1326.25   10.644  6090.60   97.701  6023.12  118.463  6234.15  172.766  1318.69   12.980  1340.95   18.615 -22.26428 22.69360 
1 1 1   -2   18    6 o  1329.01   9.2648  6115.89   85.219  5939.27  116.814  6316.84  124.599  1309.31   12.891  1350.23   13.333 -40.92188 18.54562 
1 1 1   -2   18    7 o  1603.31   10.982  8902.06  121.868  9059.96  175.588  8755.30  169.279  1616.86   15.691  1589.49   15.387 27.37366 21.97670 
1 1 1   -2   18    8 o  1579.72   12.501  8641.98  136.677  8793.07  170.007  8365.85  229.828  1593.18   15.418  1553.23   21.379 39.94995 26.35863 
1 1 1   -2   18    9 o  1246.59   8.7929  5379.16   75.863  5417.65   88.052  5268.29  149.443  1250.98   10.170  1233.16   17.510 17.82202 20.24891 
1 1 1   -2   18   10 o  207.695   5.9610  149.297   8.5688  134.923   9.7652  197.415   17.867  197.439   7.1461  238.798   10.810 -41.35912 12.95878 
1 1 1   -2   18   11 f  1030.51   7.5478  3675.80   53.833  3681.27   61.993  3659.02  108.555  1031.24   8.6857  1027.80   15.260 3.438965 17.55902 
1 1 1   -2   18   12 o  774.301   6.1988  2075.17   33.220  2081.63   38.201  2055.12   67.277  775.481   7.1175  770.309   12.619 5.171509 14.48785 
1 1 1   -2   18   13 o  500.392   5.9358  866.707   20.557  879.053   24.932  840.488   36.333  503.916   7.1487  492.633   10.656 11.28320 12.83184 
1 1 1   -2   18   14 o  511.435   6.0358  905.481   21.365  904.132   25.989  908.293   37.524  511.011   7.3481  512.043   10.588 -1.031891 12.88821 
1 1 1   -2   18   15 o  235.069   6.1531  191.331   10.011  205.935   11.677  150.829   19.446  243.857   6.9186  208.042   13.580 35.81476 15.24056 
1 1 1   -2   18   16 o  467.014   5.2376  755.224   16.929  758.810   19.531  744.390   33.946  468.075   6.0289  463.211   10.589 4.863831 12.18464 
1 1 1   -2   18   17 o  204.806   7.4400  145.405   10.546  145.405   10.546   0.0000   0.0000  204.806   7.4400  ?   ?  0.000000 7.439969 
1 1 1   -2   18   18 f   85.951   13.331   26.349   7.6735   29.481   8.7002   15.380   16.283   90.837   14.312   71.369   25.749 19.46790 29.45903 
1 1 1   -2   18   19 o  169.768   7.6564  100.060   8.9961  105.029   10.530   86.634   17.310  173.623   8.7914  156.287   16.240 17.33650 18.46665 
1 1 1   -2   18   20 o  277.714   5.9635  267.578   11.462  257.881   13.168  297.902   23.287  272.507   6.9818  292.014   11.522 -19.50735 13.47235 
1 1 1   -2   18   21 o   68.982   17.061   17.573   8.1001   15.744   9.0922   24.610   17.833   65.570   18.960   82.400   27.054 -16.83041 33.03670 
1 1 1   -2   20    1 o  1043.80   10.637  3771.33   76.841   0.0000   0.0000  3771.33   76.841  ?   ?   1043.80   10.637 0.000000 10.63657 
1 1 1   -2   20    2 o  670.764   5.4316  1557.11   25.216  1545.23   35.395  1569.36   35.933  668.174   7.6538  673.369   7.7101 -5.195129 10.86398 
1 1 1   -2   20    3 o  854.068   6.4320  2524.61   38.020  2400.53   51.226  2676.80   56.733  832.761   8.8878  879.365   9.3215 -46.60345 12.87957 
1 1 1   -2   20    4 o  1005.12   7.3011  3497.02   50.791  3394.64   69.697  3612.97   74.170  990.179   10.170  1021.51   10.491 -31.32910 14.61115 
1 1 1   -2   20    5 o  118.934   5.5139   48.960   4.5388   46.074   6.3359   52.003   6.5050  115.083   8.0045  122.319   7.7235 -7.235466 11.12311 
1 1 1   -2   20    6 o  687.929   5.5588  1638.03   26.467  1598.83   36.652  1680.74   38.259  679.581   7.7926  696.766   7.9336 -17.18512 11.12056 
1 1 1   -2   20    8 o  1262.88   8.8853  5520.93   77.662  5692.07  113.221  5368.86  106.728  1282.09   12.759  1245.18   12.384 36.90857 17.78128 
1 1 1   -2   20    9 o  167.001   5.1894   96.521   5.9981   97.851   6.5181   89.171   15.326  168.146   5.6009  159.859   13.993 8.287079 15.07207 
1 1 1   -2   20   10 o  546.039   5.9166  1031.92   22.360  1033.35   26.961  1028.78   40.018  546.401   7.1294  545.133   10.606 1.267090 12.77988 
1 1 1   -2   20   11 o  729.292   5.9060  1840.83   29.811  1862.63   34.402  1775.12   59.727  733.580   6.7758  715.987   12.053 17.59241 13.82688 
1 1 1   -2   20   12 o  552.505   6.0584  1056.60   23.167  1066.09   28.022  1036.10   41.180  554.956   7.2958  546.993   10.877 7.962585 13.09756 
1 1 1   -2   20   13 o  359.087   5.6820  446.324   14.121  438.509   16.585  466.927   26.929  355.912   6.7327  367.173   10.597 -11.26038 12.55460 
1 1 1   -2   20   14 o  458.784   5.1241  728.591   16.271  736.892   18.808  703.903   32.435  461.369   5.8901  450.748   10.397 10.62106 11.94939 
1 1 1   -2   20   15 o  202.971   6.9724  142.681   9.7947  145.434   11.556  135.658   18.458  204.889   8.1490  197.224   13.606 7.665298 15.85937 
1 1 1   -2   20   16 o  427.652   5.1435  633.295   15.224  634.708   17.445  628.781   31.181  428.086   5.8878  425.684   10.583 2.401581 12.11091 
1 1 1   -2   20   17 o   91.113   16.015   29.806   9.7306   34.636   12.519   22.434   15.466   97.807   19.179   80.002   25.095 17.80469 31.58508 
1 1 1   -2   20   18 f  237.817   6.0393  196.034   9.9405  198.265   11.307  188.439   20.860  239.113   6.8323  232.126   13.037 6.986954 14.71866 
1 1 1   -2   20   19 o  115.335   10.590   46.714   8.3589   43.775   9.6960   55.220   16.495  111.227   12.831  123.438   19.992 -12.21117 23.75475 
1 1 1   -2   20   20 o  198.223   7.3545  136.524   10.090  130.395   11.689  154.439   19.983  193.562   8.7254  209.310   13.873 -15.74794 16.38887 
1 1 1   -2   20   21 o   32.836   14.963  -4.5445   7.5060  -6.1368   8.3032   2.5732   17.555   33.516   15.446   58.850   24.923 -25.33412 29.32088 
1 1 1   -2   22    1 o  682.976   5.5158  1614.37   26.073  1584.10   36.265  1646.76   37.512  676.508   7.7454  689.755   7.8578 -13.24695 11.03337 
1 1 1   -2   22    2 o  1008.55   7.3256  3520.80   51.135  3444.41   70.697  3604.60   74.051  997.450   10.241  1020.37   10.486 -22.91962 14.65684 
1 1 1   -2   22    3 o  479.683   5.3356  796.380   17.714  788.678   21.299  813.659   31.902  477.342   6.4469  484.782   9.5082 -7.439850 11.48775 
1 1 1   -2   22    4 o  1071.85   8.8693  3977.76   65.797  3916.95   79.523  4109.76  117.154  1063.50   10.804  1088.92   15.545 -25.42310 18.93050 
1 1 1   -2   22    5 o  445.844   6.3147  688.067   19.486  688.067   19.486   0.0000   0.0000  445.844   6.3147  ?   ?  0.000000 6.314728 
1 1 1   -2   22    6 o  1704.42   11.621 10060.72  137.087  9930.70  191.102 10198.55  196.761  1692.76   16.311  1715.39   16.573 -22.63538 23.25350 
1 1 1   -2   22    7 o  697.928   7.9745  1686.13   38.521  1686.13   38.521   0.0000   0.0000  697.928   7.9745  ?   ?  0.000000 7.974546 
1 1 1   -2   22    8 o  634.772   7.5629  1394.68   33.226  1394.68   33.226   0.0000   0.0000  634.772   7.5629  ?   ?  0.000000 7.562859 
1 1 1   -2   22    9 o  594.420   6.0634  1222.89   24.945  1213.54   29.881  1244.39   45.310  592.127   7.2914  599.540   10.919 -7.413025 13.13006 
1 1 1   -2   22   10 o  1054.20   8.8155  3846.95   64.320  3846.95   64.320   0.0000   0.0000  1054.20   8.8155  ?   ?  0.000000 8.815549 
1 1 1   -2   22   11 o  129.546   9.3751   58.404   8.3490   52.194   9.6904   76.293   16.447  122.224   11.594  147.480   16.390 -25.25662 20.07630 
1 1 1   -2   22   12 o  467.102   4.9286  755.155   15.933  752.913   17.966  763.415   34.485  466.399   5.5657  469.523   10.612 -3.123840 11.98285 
1 1 1   -2   22   13 f  513.769   7.1615  913.826   25.465  913.826   25.465   0.0000   0.0000  513.769   7.1615  ?   ?  0.000000 7.161541 
1 1 1   -2   22   14 o  126.016   9.5677   55.331   8.2824   58.158   9.5052   46.415   16.880  129.104   10.735  113.535   22.278 15.56943 24.72929 
1 1 1   -2   22   15 o  329.685   5.1315  376.320   11.709  381.817   13.401  358.585   24.071  332.060   5.8312  321.552   10.816 10.50812 12.28771 
1 1 1   -2   22   16 o  439.547   5.8984  669.194   17.944  669.194   17.944   0.0000   0.0000  439.547   5.8984  ?   ?  0.000000 5.898390 
1 1 1   -2   22   17 o  113.265   9.6152   44.859   7.4664   49.999   8.4394   26.341   16.017  119.539   10.301   85.574   25.287 33.96507 27.30457 
1 1 1   -2   22   18 o  168.191   12.380   99.114   14.310   95.171   24.638  101.122   17.579  162.497   22.512  169.383   15.156 -6.885818 27.13818 
1 1 1   -2   22   19 o  142.481   8.5657   70.817   8.4076   69.059   9.6130   76.537   17.342  140.497   9.9502  146.388   17.461 -5.890610 20.09690 
1 1 1   -2   22   20 o  137.354   8.8875   65.961   8.4035   62.034   9.4650   80.585   18.264  132.934   10.369  149.719   17.985 -16.78546 20.76014 
1 1 1   -2   22   21 o   46.014   17.988   4.8167   8.3031   5.8267   9.2593   0.6702   18.761   49.138   19.055   58.952   25.385 -9.813152 31.74079 
1 1 1   -2   24    1 o  1152.49   9.4814  4598.60   75.629  4322.93  123.058  4765.93   95.871  1116.92   15.919  1173.11   11.808 -56.18945 19.82002 
1 1 1   -2   24    2 o  1430.98   9.9024  7090.40   98.074  6824.39  133.042  7406.99  145.140  1403.51   13.696  1462.11   14.343 -58.60278 19.83163 
1 1 1   -2   24    3 o  429.549   4.4943  638.602   13.361  611.690   18.268  669.557   19.593  420.373   6.2790  439.805   6.4366 -19.43176 8.991961 
1 1 1   -2   24    4 o  1750.48   13.781 10617.52  166.967 10467.13  201.102 10951.22  299.559  1737.51   16.723  1775.33   24.380 -37.82520 29.56380 
1 1 1   -2   24    5 o  655.457   5.4366  1487.00   24.663  1473.73   34.599  1500.70   35.166  652.472   7.6617  658.413   7.7169 -5.940979 10.87438 
1 1 1   -2   24    6 o  561.547   9.5908  1091.71   37.275  1091.71   37.275   0.0000   0.0000  561.547   9.5908  ?   ?  0.000000 9.590814 
1 1 1   -2   24    7 o  343.333   6.0901  407.982   14.472  407.982   14.472   0.0000   0.0000  343.333   6.0901  ?   ?  0.000000 6.090115 
1 1 1   -2   24    8 o  737.073   5.8725  1880.26   29.958  1913.89   42.888  1848.22   41.864  743.589   8.3334  730.723   8.2777 12.86615 11.74587 
1 1 1   -2   24    9 o  644.908   7.6581  1439.56   34.182  1439.56   34.182   0.0000   0.0000  644.908   7.6581  ?   ?  0.000000 7.658062 
1 1 1   -2   24   10 o  739.721   5.9285  1893.85   30.352  1893.31   34.665  1895.61   62.830  739.601   6.7721  739.893   12.269 -0.2922363 14.01425 
1 1 1   -2   24   11 o  667.069   11.641  1540.98   53.743   0.0000   0.0000  1540.98   53.743  ?   ?   667.069   11.641 0.000000 11.64058 
1 1 1   -2   24   12 o  732.054   6.8107  1855.10   34.507  1873.49   41.772  1815.61   61.232  735.620   8.2046  723.970   12.220 11.65045 14.71911 
1 1 1   -2   24   13 o  752.214   6.1018  1958.74   31.767  1970.72   36.577  1921.95   64.084  754.471   7.0047  744.720   12.433 9.750732 14.27057 
1 1 1   -2   24   14 o  269.449   5.8450  251.364   10.900  250.896   12.575  252.781   21.862  269.176   6.7498  270.016   11.698 -0.8394470 13.50589 
1 1 1   -2   24   15 o  444.589   6.9365  684.691   21.344  684.691   21.344   0.0000   0.0000  444.589   6.9365  ?   ?  0.000000 6.936502 
1 1 1   -2   24   16 o  156.523   7.2184   84.907   7.8198   95.836   8.8362   45.429   16.794  166.275   7.6782  111.848   22.474 54.42772 23.74985 
1 1 1   -2   24   17 f  356.462   5.1949  440.166   12.816  442.293   14.685  433.366   26.257  357.266   5.9387  353.108   10.744 4.157898 12.27606 
1 1 1   -2   24   18 o   51.167   17.259   8.5962   7.2473   2.9658   8.0675   32.137   16.496   43.282   17.463   93.314   25.026 -50.03220 30.51686 
1 1 1   -2   24   19 o  146.834   10.903   75.584   11.001   76.236   13.583   74.341   18.757  146.968   13.504  143.653   19.358 3.315170 23.60336 
1 1 1   -2   24   20 f  168.947   7.4884   99.235   8.7562   96.679   9.9033  108.390   18.743  166.411   8.6281  174.545   15.682 -8.133377 17.89917 
1 1 1   -2   26    1 o  414.815   5.1603  595.572   14.815  585.366   25.025  601.079   18.383  411.175   8.7938  416.709   6.3738 -5.533875 10.86076 
1 1 1   -2   26    2 o  580.408   5.0945  1165.98   20.465  1102.36   27.704  1242.40   30.362  564.304   7.0933  599.070   7.3228 -34.76617 10.19504 
1 1 1   -2   26    3 o  910.423   6.7984  2869.23   42.838  2802.24   59.143  2943.17   62.132  899.602   9.4989  921.931   9.7373 -22.32910 13.60311 
1 1 1   -2   26    4 o  350.940   6.1190  426.290   14.862  426.290   14.862   0.0000   0.0000  350.940   6.1190  ?   ?  0.000000 6.118978 
1 1 1   -2   26    5 o  638.458   6.2578  1410.89   27.652  1383.31   33.060  1475.12   50.451  632.159   7.5562  652.695   11.168 -20.53577 13.48415 
1 1 1   -2   26    6 o  1024.19   7.4527  3630.86   52.829  3601.56   74.130  3661.09   75.306  1019.94   10.501  1028.33   10.581 -8.391418 14.90745 
1 1 1   -2   26    8 o  586.358   7.2376  1190.00   29.372  1190.00   29.372   0.0000   0.0000  586.358   7.2376  ?   ?  0.000000 7.237637 
1 1 1   -2   26    9 o  894.685   7.7485  2770.65   47.980  2902.07   61.534  2566.83   76.634  915.601   9.7102  860.984   12.860 54.61694 16.11440 
1 1 1   -2   26   10 o  1013.11   8.6276  3553.09   60.496  3527.64   73.128  3608.29  107.678  1009.39   10.468  1020.58   15.244 -11.19055 18.49192 
1 1 1   -2   26   11 o  509.329   4.9479  897.853   17.442  897.132   19.686  900.488   37.619  509.115   5.5868  509.944   10.659 -0.8298950 12.03420 
1 1 1   -2   26   12 o  426.088   10.485  628.781   30.921   0.0000   0.0000  628.781   30.921  ?   ?   426.088   10.485 0.000000 10.48534 
1 1 1   -2   26   13 o  556.429   5.2216  1071.74   20.109  1078.80   22.936  1048.29   41.809  558.235   5.9365  550.043   10.982 8.192200 12.48427 
1 1 1   -2   26   14 o  310.481   5.5918  333.759   12.016  333.759   12.016   0.0000   0.0000  310.481   5.5918  ?   ?  0.000000 5.591759 
1 1 1   -2   26   15 o  234.743   5.5865  190.828   9.0763  194.303   10.208  177.707   19.834  236.851   6.2270  225.837   12.741 11.01347 14.18161 
1 1 1   -2   26   16 o  343.984   4.9851  409.786   11.868  407.992   13.405  416.293   25.530  343.194   5.6435  346.232   10.654 -3.038422 12.05620 
1 1 1   -2   26   17 o  157.952   8.2045   86.805   8.9384   80.965   10.368  103.707   17.638  152.340   9.8871  171.695   14.993 -19.35574 17.95988 
1 1 1   -2   26   18 o  267.848   5.5757  248.677   10.336  242.427   11.609  272.585   22.705  264.396   6.3440  279.643   11.731 -15.24631 13.33664 
1 1 1   -2   26   19 o   47.644   17.256   6.6964   7.3236   5.1179   8.1337   13.459   16.834   46.434   17.900   69.135   25.962 -22.70068 31.53460 
1 1 1   -2   26   20 o  194.057   7.7213  131.006   10.370  131.006   10.370   0.0000   0.0000  194.057   7.7213  ?   ?  0.000000 7.721292 
1 1 1   -2   28    1 o  691.856   6.5031  1656.89   31.140  1614.39   37.357  1753.66   56.370  682.882   7.9041  711.574   11.446 -28.69196 13.90986 
1 1 1   -2   28    2 o  1286.81   12.785  5735.79  113.869  5536.58  155.540  5965.85  167.157  1263.69   17.784  1311.68   18.413 -47.98608 25.59875 
1 1 1   -2   28    3 o  1533.14   10.552  8138.90  111.969  8064.09  156.777  8216.79  159.967  1525.64   14.847  1540.00   15.008 -14.35767 21.11149 
1 1 1   -2   28    4 o  363.664   6.2644  457.748   15.767  457.748   15.767   0.0000   0.0000  363.664   6.2644  ?   ?  0.000000 6.264421 
1 1 1   -2   28    5 f  601.437   5.2168  1251.92   21.716  1231.69   30.349  1273.14   31.086  596.526   7.3508  606.479   7.4058 -9.952881 10.43457 
1 1 1   -2   28    6 o  1149.52   9.5117  4574.29   75.675  4509.61   91.027  4719.02  136.165  1141.28   11.524  1167.16   16.856 -25.87988 20.41887 
1 1 1   -2   28    7 o  1200.18   8.5274  4985.92   70.834  4776.88   95.747  5238.66  105.279  1174.62   11.777  1230.06   12.366 -55.43762 17.07723 
1 1 1   -2   28    8 o  208.297   5.4065  150.161   7.7942  147.259   9.8123  155.122   12.830  206.268   6.8733  211.693   8.7570 -5.424316 11.13221 
1 1 1   -2   28    9 f  373.839   4.6068  483.675   11.920  456.516   16.165  516.039   17.646  363.177   6.4310  386.126   6.6030 -22.94928 9.217229 
1 1 1   -2   28   10 o  607.212   5.3480  1276.12   22.475  1245.84   31.064  1309.37   32.559  599.924   7.4814  615.026   7.6488 -15.10175 10.69934 
1 1 1   -2   28   11 o  641.370   5.4937  1423.80   24.386  1443.67   27.978  1360.98   49.753  645.810   6.2594  626.857   11.468 18.95374 13.06469 
1 1 1   -2   28   12 f  971.206   10.438  3267.14   70.165  3342.44  101.249  3197.56   97.324  981.869   14.899  960.385   14.642 21.48462 20.88946 
1 1 1   -2   28   13 o  400.953   5.7616  556.558   15.989  559.348   19.199  550.244   28.882  401.921   6.9017  398.486   10.472 3.435028 12.54194 
1 1 1   -2   28   14 o  316.109   5.4287  345.982   11.877  345.982   11.877   0.0000   0.0000  316.109   5.4287  ?   ?  0.000000 5.428698 
1 1 1   -2   28   15 o  138.151   7.2956   66.320   6.9511   65.137   7.6137   72.244   17.036  136.845   8.0745  142.878   17.600 -6.032440 19.36340 
1 1 1   -2   28   16 f  304.200   5.7944  320.594   12.200  319.701   14.266  323.024   23.535  303.713   6.7867  304.887   11.153 -1.174652 13.05575 
1 1 1   -2   28   17 o  359.240   5.7530  447.245   14.304  450.319   16.880  439.415   26.939  360.372   6.7678  355.408   10.951 4.964996 12.87393 
1 1 1   -2   28   18 o   69.732   15.330   17.702   7.1971   17.532   7.8203   18.639   18.398   69.282   16.538   76.749   27.405 -7.466843 32.00864 
1 1 1   -2   28   19 o  263.344   5.7118  240.556   10.411  238.722   11.608  248.098   23.537  262.259   6.3950  266.187   12.776 -3.928070 14.28712 
1 1 1   -2   28   20 o   70.174   16.196   18.136   7.7063   22.449   8.5668  -0.1582   17.642   78.173   16.359   56.867   24.551 21.30604 29.50240 
1 1 1   -2   30    1 o  579.878   5.1653  1163.80   20.731  1119.70   28.410  1214.03   30.318  568.749   7.2172  592.218   7.3968 -23.46887 10.33446 
1 1 1   -2   30    2 o  579.954   5.1610  1164.09   20.716  1138.02   28.813  1191.99   29.805  573.388   7.2605  586.824   7.3385 -13.43640 10.32326 
1 1 1   -2   30    3 f  657.469   6.3978  1496.15   29.113  1486.83   50.710  1500.73   35.556  655.298   11.181  658.447   7.8022 -3.148315 13.63412 
1 1 1   -2   30    4 o  468.029   5.4018  758.127   17.498  757.073   29.377  758.706   21.784  467.654   9.0764  468.192   6.7226 -0.5386658 11.29485 
1 1 1   -2   30    5 o  1081.59   7.8116  4049.15   58.476  4008.23   81.898  4091.72   83.520  1075.99   10.997  1087.14   11.100 -11.14429 15.62549 
1 1 1   -2   30    6 o  639.760   5.4392  1416.52   24.084  1352.48   32.782  1491.62   35.500  625.102   7.5772  656.465   7.8133 -31.36292 10.88403 
1 1 1   -2   30    7 o  1357.56   9.4991  6379.63   89.252  6093.33  120.019  6733.86  133.498  1326.57   13.072  1394.50   13.832 -67.93481 19.03147 
1 1 1   -2   30    8 o  578.760   5.1809  1159.28   20.753  1116.70   28.421  1207.91   30.374  568.005   7.2295  590.743   7.4290 -22.73779 10.36607 
1 1 1   -2   30    9 o  316.862   6.3906  347.512   14.015  347.512   14.015   0.0000   0.0000  316.862   6.3906  ?   ?  0.000000 6.390603 
1 1 1   -2   30   10 o  765.302   6.9807  2027.38   36.975  2046.34   62.739  2017.29   45.768  768.674   11.793  763.337   8.6630 5.336548 14.63278 
1 1 1   -2   30   11 o  727.105   5.9094  1830.00   29.738  1846.49   34.095  1777.56   60.798  730.346   6.7451  716.314   12.263 14.03284 13.99595 
1 1 1   -2   30   12 o  946.816   7.0800  3103.77   46.396  3127.45   53.521  3032.20   93.063  950.346   8.1370  935.122   14.379 15.22394 16.52180 
1 1 1   -2   30   13 o  157.124   6.0479   85.479   6.5769   84.438   7.0391   92.634   18.454  156.157   6.5130  162.445   16.649 -6.288132 17.87734 
1 1 1   -2   30   14 o   95.940   13.167   32.559   8.5123   26.198   9.9479   49.951   16.449   85.205   17.456  117.896   20.925 -32.69041 27.25003 
1 1 1   -2   30   15 o  322.893   5.4317  361.095   12.139  361.095   12.139   0.0000   0.0000  322.893   5.4317  ?   ?  0.000000 5.431665 
1 1 1   -2   30   16 o  295.755   5.0165  302.977   10.269  300.426   11.534  312.732   22.550  294.470   5.6591  299.970   10.862 -5.499786 12.24761 
1 1 1   -2   30   17 f   79.862   13.826   22.894   7.3654   17.413   8.1476   47.400   17.228   69.111   17.122  113.766   22.676 -44.65482 28.41382 
1 1 1   -2   30   18 o   64.534   15.774   15.204   6.9859   20.720   7.5868 -15.5317   17.910   75.575   15.034   47.755   22.240 27.81981 26.84451 
1 1 1   -2   30   19 f  195.964   7.0136  133.399   9.5126  133.399   9.5126   0.0000   0.0000  195.964   7.0136  ?   ?  0.000000 7.013631 
1 1 1   -2   30   20 o  122.527   9.3556   52.718   7.8738   53.638   8.6489   48.263   19.030  123.427   10.216  112.540   25.074 10.88674 27.07517 
1 1 1   -2   32    1 f  1429.54   9.9312  7074.85   98.260  6810.28  133.247  7390.23  145.477  1402.30   13.729  1460.73   14.390 -58.43274 19.88832 
1 1 1   -2   32    2 o  1477.29   10.228  7555.39  104.575  7295.14  142.343  7860.58  154.145  1451.35   14.171  1506.49   14.784 -55.14429 20.47841 
1 1 1   -2   32    3 o  1182.94   11.934  4845.09   97.704   0.0000   0.0000  4845.09   97.704  ?   ?   1182.94   11.934 0.000000 11.93365 
1 1 1   -2   32    4 o  469.334   5.6383  762.359   18.315  736.097   31.751  775.455   22.422  461.126   9.9485  473.336   6.8441 -12.21008 12.07539 
1 1 1   -2   32    5 o  630.628   5.4011  1376.37   23.574  1389.84   33.447  1363.07   33.231  633.676   7.6263  627.543   7.6511 6.133057 10.80279 
1 1 1   -2   32    6 o  473.101   6.7158  774.674   21.990  774.674   21.990   0.0000   0.0000  473.101   6.7158  ?   ?  0.000000 6.715782 
1 1 1   -2   32    8 o  984.135   7.2870  3352.40   49.634  3202.76   66.996  3534.46   73.898  961.821   10.064  1010.38   10.568 -48.55664 14.59311 
1 1 1   -2   32    9 o  615.780   5.3853  1312.39   22.951  1301.82   32.052  1323.52   32.880  613.248   7.5517  618.336   7.6830 -5.087646 10.77298 
1 1 1   -2   32   10 o  371.332   4.7186  477.238   12.127  491.155   17.060  463.022   17.242  376.683   6.5437  365.731   6.8116 10.95139 9.445528 
1 1 1   -2   32   11 o  469.157   10.814  762.439   35.116  762.439   35.116   0.0000   0.0000  469.157   10.814  ?   ?  0.000000 10.81443 
1 1 1   -2   32   12 o  468.956   5.7070  761.334   18.523  748.497   21.803  794.634   35.116  464.949   6.7754  478.879   10.595 -13.93057 12.57611 
1 1 1   -2   32   13 o  298.763   4.6251  309.000   9.5637  311.834   10.489  295.024   23.291  300.119   5.0496  291.651   11.538 8.468109 12.59492 
1 1 1   -2   32   14 o  329.790   5.7455  376.668   13.114  369.991   15.429  394.049   24.893  326.803   6.8214  336.995   10.673 -10.19217 12.66652 
1 1 1   -2   32   15 o  181.454   6.1833  114.076   7.7654  115.530   8.6387  107.951   17.724  182.583   6.8361  175.426   14.734 7.157684 16.24278 
1 1 1   -2   32   16 o   51.696   15.186   9.4881   5.7920   7.6526   6.2429   20.834   15.522   48.103   16.018   77.700   25.227 -29.59692 29.88295 
1 1 1   -2   32   17 o   40.749   16.002   3.4108   6.5946   3.4108   6.5946   0.0000   0.0000   40.749   16.002  ?   ?  0.000000 16.00161 
1 1 1   -2   32   18 o   83.600   14.458   25.189   8.0629   25.189   8.0629   0.0000   0.0000   83.600   14.458  ?   ?  0.000000 14.45841 
1 1 1   -2   32   19 o  138.817   7.8673   67.242   7.5276   65.208   8.1415   79.220   19.760  136.575   8.6578  147.715   19.828 -11.14024 21.63584 
1 1 1   -2   34    1 o  851.791   6.5381  2511.18   38.545  2425.47   52.751  2609.37   56.458  837.068   9.1052  868.214   9.3956 -31.14520 13.08367 
1 1 1   -2   34    2 o  506.252   4.9352  886.985   17.292  867.895   24.020  907.523   24.914  500.754   6.9305  512.057   7.0299 -11.30353 9.871777 
1 1 1   -2   34    3 o  627.841   5.4296  1364.23   23.593  1365.57   33.374  1362.90   33.359  628.117   7.6769  627.504   7.6810 0.6129761 10.85966 
1 1 1   -2   34    4 o  332.806   4.6496  383.318   10.710  382.942   15.112  383.697   15.180  332.631   6.5642  332.959   6.5873 -0.3276367 9.299520 
1 1 1   -2   34    5 o  778.748   6.1654  2098.92   33.230  2024.02   45.492  2184.60   48.657  764.681   8.5957  794.431   8.8493 -29.74933 12.33679 
1 1 1   -2   34    6 o  1827.56   14.358 11566.74  181.613 11095.77  212.260 12853.66  350.869  1789.69   17.136  1924.88   26.337 -135.1881 31.42102 
1 1 1   -2   34    7 o  1226.57   12.308  5209.64  104.490  5209.64  104.490   0.0000   0.0000  1226.57   12.308  ?   ?  0.000000 12.30848 
1 1 1   -2   34    8 o  427.773   5.6520  633.347   16.734  622.165   19.600  663.415   32.139  423.966   6.6796  437.721   10.609 -13.75519 12.53631 
1 1 1   -2   34    9 o  538.729   5.1396  1004.52   19.164  996.884   26.733  1012.58   27.486  536.638   7.1975  540.843   7.3428 -4.205627 10.28208 
1 1 1   -2   34   10 o  359.838   4.7345  448.160   11.791  444.794   16.206  451.947   17.188  358.457   6.5323  361.322   6.8731 -2.864807 9.482134 
1 1 1   -2   34   11 o  489.289   5.8675  828.751   19.870  827.156   23.559  832.683   36.985  488.784   6.9639  490.245   10.900 -1.461243 12.93481 
1 1 1   -2   34   12 o  368.751   5.1062  470.732   13.032  470.732   13.032   0.0000   0.0000  368.751   5.1062  ?   ?  0.000000 5.106182 
1 1 1   -2   34   13 o  189.391   5.1079  124.191   6.6954  123.233   7.1867  130.488   18.426  188.651   5.5042  193.322   13.863 -4.671539 14.91582 
1 1 1   -2   34   14 o  468.846   4.8391  761.159   15.703  767.128   17.736  739.512   33.776  470.642   5.4448  461.593   10.572 9.048645 11.89196 
1 1 1   -2   34   15 o  338.021   5.7247  395.841   13.393  407.576   15.980  368.146   24.551  342.921   6.7330  325.503   10.898 17.41727 12.80976 
1 1 1   -2   34   16 o  207.903   5.4522  149.773   7.8453  149.194   8.5359  152.927   19.910  207.475   5.9444  208.893   13.850 -1.418381 15.07170 
1 1 1   -2   34   17 o  101.578   9.1548   36.160   6.3669   35.617   6.8264   39.795   17.652  100.694   9.9242  103.465   24.942 -2.770851 26.84417 
1 1 1   -2   34   18 o   71.377   13.097   18.387   6.2317   16.591   6.6403   31.654   18.045   67.467   14.641   92.214   26.724 -24.74711 30.47218 
1 1 1   -2   34   19 o  133.988   8.7902   62.825   8.1063   63.228   8.9670   61.024   18.963  134.254   9.7160  128.374   22.142 5.879776 24.18030 
1 1 1   -2   36    1 o  749.754   6.9640  1945.60   36.137  1902.21   43.287  2045.37   65.643  741.320   8.4367  768.608   12.340 -27.28796 14.94817 
1 1 1   -2   36    2 f  1280.43   10.432  5675.61   92.453  5443.90  152.901  5809.15  116.076  1253.62   17.622  1295.29   12.948 -41.66870 21.86779 
1 1 1   -2   36    3 o  713.417   5.8689  1761.50   28.978  1697.41   39.671  1834.82   42.431  700.281   8.1851  728.071   8.4205 -27.79010 11.74309 
1 1 1   -2   36    4 o  797.067   7.2246  2198.94   39.855  2118.54   66.063  2244.95   49.974  782.232   12.202  805.325   8.9660 -23.09235 15.14225 
1 1 1   -2   36    5 o  825.408   7.5041  2358.16   42.869  2096.58   67.758  2532.75   55.357  778.141   12.581  855.369   9.3507 -77.22821 15.67561 
1 1 1   -2   36    6 o  697.513   5.7975  1683.89   27.988  1592.97   37.664  1795.99   41.824  678.380   8.0218  720.303   8.3894 -41.92310 11.60736 
1 1 1   -2   36    7 o  382.763   4.7404  507.055   12.558  500.335   17.285  514.567   18.275  380.199   6.5689  385.565   6.8484 -5.365967 9.489554 
1 1 1   -2   36    8 o  477.047   5.5755  787.674   18.408  753.171   29.062  810.795   23.790  466.414   9.0027  483.971   7.1022 -17.55609 11.46689 
1 1 1   -2   36    9 o  626.979   6.4215  1360.75   27.866  1340.81   33.050  1409.76   51.822  622.332   7.6732  637.958   11.737 -15.62579 14.02244 
1 1 1   -2   36   10 o  466.500   6.8465  753.403   22.105  753.403   22.105   0.0000   0.0000  466.500   6.8465  ?   ?  0.000000 6.846543 
1 1 1   -2   36   11 o  163.684   6.2217   92.760   7.0484  107.536   9.2137   71.913   10.944  176.219   7.5544  143.621   11.096 32.59854 13.42339 
1 1 1   -2   36   12 o   76.071   9.1468   20.343   4.7192   22.205   4.9361   0.5302   16.097   79.527   9.1337   56.261   23.848 23.26601 25.53732 
1 1 1   -2   36   13 o  424.944   4.6329  625.206   13.626  628.567   15.285  612.195   30.073  426.058   5.1834  420.089   10.343 5.969513 11.56941 
1 1 1   -2   36   14 o  337.647   4.9723  394.813   11.620  393.379   13.227  399.659   24.321  336.996   5.6711  339.297   10.357 -2.301056 11.80762 
1 1 1   -2   36   15 o  448.588   4.7907  696.979   14.874  709.225   16.785  652.195   32.098  452.462   5.3599  433.185   10.706 19.27682 11.97283 
1 1 1   -2   36   16 o  203.179   5.2541  143.048   7.3885  139.980   7.9205  163.610   20.506  200.965   5.6945  216.023   13.787 -15.05759 14.91708 
1 1 1   -2   36   17 o  104.027   13.715   38.507   9.6339   38.507   9.6339   0.0000   0.0000  104.027   13.715  ?   ?  0.000000 13.71520 
1 1 1   -2   36   18 o   38.077   14.868   3.1385   5.6670   4.1072   5.9799  -5.4000   17.753   40.515   15.414   53.491   23.806 -12.97586 28.36077 
1 1 1   -2   36   19 o  126.590   8.7779   56.144   7.6432   61.805   8.3858   28.361   18.578  132.773   9.1819   87.190   27.527 45.58225 29.01766 
1 1 1   -2   38    1 o  284.978   5.0205  281.064   9.9023  262.097   13.755  301.469   14.267  275.182   7.2221  295.129   6.9846 -19.94742 10.04705 
1 1 1   -2   38    2 o  397.348   5.6155  546.430   15.443  535.870   18.497  570.732   28.059  393.479   6.7920  406.040   9.9845 -12.56079 12.07563 
1 1 1   -2   38    3 o  546.676   5.1943  1034.30   19.653  990.900   26.895  1084.04   28.790  535.058   7.2625  559.638   7.4329 -24.57959 10.39195 
1 1 1   -2   38    4 o  938.471   8.1207  3048.59   52.746  2974.03   63.267  3218.54   95.518  926.868   9.8624  964.019   14.316 -37.15021 17.38436 
1 1 1   -2   38    5 f  1458.24   11.680  7363.06  117.886  7250.37  142.287  7609.76  210.520  1446.83   14.209  1481.56   20.530 -34.72803 24.96791 
1 1 1   -2   38    6 o  211.059   7.1294  154.193   10.414  110.585   18.456  174.564   12.615  178.023   15.122  224.561   8.1163 -46.53838 17.16264 
1 1 1   -2   38    7 o  980.642   7.3068  3328.89   49.592  3176.05   66.806  3516.50   74.014  957.734   10.078  1007.73   10.612 -49.99323 14.63520 
1 1 1   -2   38    8 o  438.157   4.8949  664.471   14.844  653.385   20.568  676.523   21.445  434.454   6.8402  442.076   7.0089 -7.622070 9.793519 
1 1 1   -2   38    9 o  178.338   7.1067  110.106   8.7717  108.076   9.7824  118.439   19.815  176.676   8.0001  184.151   15.697 -7.474823 17.61807 
1 1 1   -2   38   10 o  563.880   5.2424  1100.65   20.460  1080.24   28.068  1123.79   29.886  558.552   7.2607  569.685   7.5797 -11.13367 10.49613 
1 1 1   -2   38   11 o  333.696   6.4311  385.583   14.853  385.583   14.853   0.0000   0.0000  333.696   6.4311  ?   ?  0.000000 6.431100 
1 1 1   -2   38   12 o   69.390   11.998   17.187   5.5535   19.964   6.9079   12.112   9.3381   74.623   13.886   60.042   19.571 14.58039 23.99678 
1 1 1   -2   38   13 o  447.063   5.2471  692.145   16.236  698.938   18.857  672.683   31.919  449.197   6.0655  440.260   10.475 8.936890 12.10446 
1 1 1   -2   38   14 o  161.939   5.1890   90.833   5.8159   90.711   6.1875   91.756   17.037  161.821   5.5246  161.474   15.433 0.3468018 16.39173 
1 1 1   -2   38   15 o  164.275   5.2284   93.496   5.9445   93.119   6.3135   96.439   17.648  163.932   5.5645  165.381   15.602 -1.449005 16.56499 
1 1 1   -2   38   16 o  123.850   6.5286   53.347   5.5764   54.583   5.8569   41.366   18.240  125.255   6.7813  105.529   25.301 19.72607 26.19408 
1 1 1   -2   38   17 o  152.593   6.1170   80.778   6.4603   80.959   6.7864   79.024   21.094  152.746   6.4193  147.551   21.270 5.194992 22.21764 
1 1 1   -2   38   18 o   55.468   18.300   10.517   8.1557   3.4107   9.2096   36.346   17.557   45.954   18.617   98.038   25.599 -52.08418 31.65272 
1 1 1   -2   40    1 o  1085.72   7.9085  4080.22   59.427  3988.53   82.162  4180.82   86.059  1073.33   11.060  1098.88   11.315 -25.55640 15.82291 
1 1 1   -2   40    2 o  950.864   7.1509  3129.47   47.061  3053.14   64.930  3213.96   68.306  939.105   9.9898  963.511   10.243 -24.40576 14.30781 
1 1 1   -2   40    3 o  879.659   6.7639  2678.30   41.181  2597.01   56.452  2770.76   60.205  866.129   9.4172  894.622   9.7233 -28.49310 13.53612 
1 1 1   -2   40    4 o  1353.41   10.952  6342.27  102.592  6229.07  123.438  6595.12  184.488  1341.10   13.299  1379.33   19.325 -38.22461 23.45883 
1 1 1   -2   40    5 o  172.415   6.8512  102.897   8.1756   92.282   11.008  115.954   12.209  162.965   9.8055  182.750   9.6871 -19.78461 13.78361 
1 1 1   -2   40    6 o  177.420   6.6856  108.959   8.2095  111.248   11.101  106.195   12.196  179.256   8.9478  174.834   10.122 4.421570 13.51014 
1 1 1   -2   40    7 o  419.436   5.0452  608.907   14.646  603.193   20.341  615.059   21.106  417.430   7.0405  421.512   7.2346 -4.081940 10.09500 
1 1 1   -2   40    8 o  941.321   7.1175  3067.58   46.371  2916.04   62.292  3255.93   69.446  917.612   9.8084  969.575   10.349 -51.96301 14.25840 
1 1 1   -2   40    9 o  183.130   6.0988  116.099   7.7300  120.644   9.9216  109.079   12.331  186.660   7.6799  177.163   10.098 9.497055 12.68676 
1 1 1   -2   40   10 o  635.240   7.7521  1397.58   34.083  1397.58   34.083   0.0000   0.0000  635.240   7.7521  ?   ?  0.000000 7.752072 
1 1 1   -2   40   11 f  497.261   5.0291  856.082   17.308  844.987   23.833  868.464   25.177  493.923   6.9717  500.719   7.2650 -6.795593 10.06904 
1 1 1   -2   40   12 o  470.734   4.9200  767.263   16.029  804.161   22.869  731.627   22.475  481.791   6.8581  459.533   7.0664 22.25739 9.847229 
1 1 1   -2   40   13 o  178.832   4.8145  110.748   5.9590  111.534   6.3719  105.268   16.827  179.457   5.1302  173.328   14.150 6.128372 15.05136 
1 1 1   -2   40   14 o  367.751   4.4737  468.360   11.387  475.322   12.614  437.707   26.466  370.445   4.9198  354.877   10.775 15.56818 11.84536 
1 1 1   -2   40   15 o  208.735   4.6485  150.929   6.7155  153.307   7.1768  134.195   19.039  210.359   4.9294  195.510   14.166 14.84935 14.99938 
1 1 1   -2   40   16 o  337.398   4.5400  394.414   10.602  397.351   11.593  379.415   26.202  338.614   4.9467  329.857   11.477 8.756378 12.49760 
1 1 1   -2   40   17 o  279.531   4.6890  270.829   9.0717  266.400   9.7547  299.171   24.678  277.197   5.0845  292.461   12.192 -15.26337 13.20945 
1 1 1   -2   40   18 f  188.190   5.8075  122.940   7.5642  126.418   8.1326  100.634   20.596  190.796   6.1586  167.128   18.095 23.66788 19.11419 
1 1 1   -2   42    1 o  618.247   5.5490  1322.91   23.744  1283.00   32.690  1367.48   34.544  608.808   7.7582  628.527   7.9409 -19.71893 11.10172 
1 1 1   -2   42    2 o  173.850   6.9600  104.615   8.3745  100.341   11.519  109.406   12.197  169.958   9.8347  177.485   9.9693 -7.526535 14.00381 
1 1 1   -2   42    3 o  1085.49   7.9318  4078.81   59.590  3958.00   81.643  4216.54   87.175  1069.13   11.033  1103.47   11.414 -34.34131 15.87527 
1 1 1   -2   42    4 o  393.693   5.0238  536.440   13.689  534.415   19.063  538.596   19.669  392.923   7.0099  394.454   7.2045 -1.531006 10.05206 
1 1 1   -2   42    5 o  1041.68   7.7115  3756.39   55.597  3555.14   74.335  4011.91   83.758  1013.23   10.600  1076.31   11.244 -63.07922 15.45261 
1 1 1   -2   42    6 o  654.819   6.5603  1484.28   29.732  1461.95   49.183  1497.13   37.323  649.708   10.938  657.595   8.2006 -7.887329 13.67047 
1 1 1   -2   42    7 o  594.172   6.4587  1222.12   26.560  1182.93   46.135  1241.55   32.484  584.363   11.407  598.830   7.8377 -14.46655 13.84001 
1 1 1   -2   42    8 o  187.463   8.3563  121.694   10.842  117.561   19.457  123.556   13.057  183.453   15.469  188.596   10.039 -5.142365 18.44071 
1 1 1   -2   42    9 o  377.639   4.9026  493.666   12.814  485.774   17.384  503.055   18.961  374.558   6.7060  381.146   7.1878 -6.587738 9.830269 
1 1 1   -2   42   10 o  737.580   6.0518  1883.80   30.894  1811.23   41.968  1969.62   45.643  723.031   8.3866  753.942   8.7471 -30.91180 12.11802 
1 1 1   -2   42   11 o  335.657   6.4775  390.240   15.048  390.240   15.048   0.0000   0.0000  335.657   6.4775  ?   ?  0.000000 6.477543 
1 1 1   -2   42   12 o   65.962   12.770   15.636   5.6195   12.946   7.0332   20.384   9.3449   60.006   16.446   74.932   18.200 -14.92603 24.52963 
1 1 1   -2   42   13 o  197.701   4.6453  135.357   6.3563  135.464   6.7378  134.488   19.160  197.770   4.9225  195.962   14.224 1.808075 15.05148 
1 1 1   -2   42   14 o  172.605   4.6497  103.192   5.5546  105.914   5.9014   82.049   16.446  174.859   4.8763  152.388   15.824 22.47086 16.55787 
1 1 1   -2   42   15 o  237.013   6.1295  194.777   10.055  194.777   10.055   0.0000   0.0000  237.013   6.1295  ?   ?  0.000000 6.129548 
1 1 1   -2   42   16 o   44.485   13.242   7.0124   4.3797   7.3907   4.5260   1.4420   17.368   45.587   13.434   58.285   24.742 -12.69789 28.15396 
1 1 1   -2   42   17 o  144.757   5.4405   72.686   5.4507   72.176   5.6950   78.244   18.812  144.232   5.7050  147.187   18.904 -2.954880 19.74566 
1 1 1   -2   44    1 o  125.901   11.103   55.317   9.5761   79.561   16.390   42.752   11.800  150.681   15.959  109.929   15.976 40.75179 22.58177 
1 1 1   -2   44    2 o  802.721   6.4170  2230.37   35.651  2189.33   49.480  2274.68   51.413  795.212   8.9902  810.558   9.1646 -15.34589 12.83791 
1 1 1   -2   44    3 o  1133.82   9.4750  4451.11   74.353  4380.36   89.711  4606.34  132.884  1124.63   11.526  1152.78   16.655 -28.14893 20.25421 
1 1 1   -2   44    4 o  138.157   10.334   66.468   9.8098   68.634   11.233   59.512   20.133  140.284   11.676  128.932   23.425 11.35277 26.17355 
1 1 1   -2   44    5 o  434.348   5.1699  652.988   15.542  622.492   21.319  687.581   22.705  424.045   7.2639  445.661   7.3611 -21.61627 10.34167 
1 1 1   -2   44    6 o  779.724   6.3101  2104.60   34.053  2057.82   47.000  2156.30   49.406  770.890   8.8091  789.107   9.0462 -18.21747 12.62668 
1 1 1   -2   44    7 o  498.723   5.2506  860.960   18.124  812.880   24.531  918.744   26.893  484.535   7.3150  515.113   7.5433 -30.57745 10.50760 
1 1 1   -2   44    8 o  607.585   8.2514  1278.59   34.699  1243.42   47.317  1319.51   51.036  598.936   11.415  616.943   11.952 -18.00696 16.52732 
1 1 1   -2   44    9 o  290.180   5.1675  291.520   10.378  279.005   13.707  308.336   15.888  283.833   6.9774  298.354   7.6940 -14.52106 10.38664 
1 1 1   -2   44   10 f  172.915   6.2884  103.553   7.5257   94.171   9.5092  119.280   12.311  164.632   8.3731  185.231   9.6365 -20.59880 12.76601 
1 1 1   -2   44   11 o  174.436   7.7978  105.460   9.4142  109.610   10.737   91.659   19.580  177.801   8.7249  161.135   17.857 16.66553 19.87439 
1 1 1   -2   44   12 o  110.653   7.4637   42.637   5.6826   42.665   7.1275   42.588   9.4143  110.486   9.4106  109.956   12.598 0.5300446 15.72480 
1 1 1   -2   44   13 o  339.302   6.3474  399.014   14.906  399.014   14.906   0.0000   0.0000  339.302   6.3474  ?   ?  0.000000 6.347380 
1 1 1   -2   44   14 o  168.814   4.6080   98.718   5.3839   99.528   5.6521   90.780   17.689  169.497   4.8180  160.199   16.175 9.298264 16.87769 
1 1 1   -2   44   15 o  349.469   7.6352  424.054   18.467  411.415   25.540  437.902   26.734  343.659   10.738  354.515   10.896 -10.85556 15.29776 
1 1 1   -2   44   16 f   96.076   18.948   33.820   12.152   13.644   16.112   60.439   18.507   68.522   25.464  128.483   21.577 -59.96075 33.37626 
1 1 1   -2   44   17 o  102.239   17.725   38.159   12.088   37.912   16.273   38.463   18.055  100.280   23.803  100.611   25.805 -0.3308868 35.10646 
1 1 1   -2   46    1 o  611.995   5.6080  1296.38   23.754  1262.42   32.841  1333.63   34.399  603.866   7.8577  620.660   8.0078 -16.79431 11.21909 
1 1 1   -2   46    2 o  719.918   8.5333  1794.43   42.518  1752.19   59.331  1839.02   60.962  711.221   12.053  728.628   12.089 -17.40698 17.07078 
1 1 1   -2   46    3 o  620.904   5.6203  1334.42   24.153  1300.33   33.240  1372.56   35.155  612.856   7.8365  629.637   8.0671 -16.78149 11.24670 
1 1 1   -2   46    4 o  342.304   5.2690  405.570   12.483  412.419   17.202  397.951   18.143  345.150   7.2008  339.031   7.7321 6.118744 10.56584 
1 1 1   -2   46    5 o  854.483   7.7680  2528.05   45.940  2462.50   54.629  2686.34   84.897  843.231   9.3605  880.308   13.934 -37.07635 16.78627 
1 1 1   -2   46    6 o  220.854   6.1942  168.862   9.4682  162.493   12.672  176.912   14.246  216.611   8.4524  226.005   9.1076 -9.393250 12.42543 
1 1 1   -2   46    7 o  288.905   6.1007  288.979   12.199  289.512   18.712  288.585   16.087  289.079   9.3527  288.657   8.0521 0.4212036 12.34137 
1 1 1   -2   46    8 o  497.471   5.8763  856.885   20.232  811.926   24.177  961.951   36.959  484.177   7.2147  526.800   10.137 -42.62350 12.44210 
1 1 1   -2   46    9 o  236.777   5.5196  194.128   9.0453  178.160   11.807  216.811   14.073  226.771   7.5229  250.140   8.1286 -23.36858 11.07560 
1 1 1   -2   46   10 o  259.173   5.1506  232.597   9.2389  206.121   11.881  273.091   14.694  243.909   7.0382  280.725   7.5628 -36.81581 10.33108 
1 1 1   -2   46   11 o  199.660   5.6427  138.081   7.7975  138.918   9.9565  136.754   12.540  200.206   7.1854  198.548   9.1253 1.657669 11.61468 
1 1 1   -2   46   12 o  246.312   5.0470  210.141   8.6039  236.817   11.428  175.230   13.073  261.411   6.3162  224.742   8.4047 36.66867 10.51347 
1 1 1   -2   46   13 o   41.070   13.962   5.4359   4.7430   7.8577   5.6235  -0.5327   8.8282   47.810   15.150   40.639   17.455 7.170841 23.11290 
1 1 1   -2   46   14 o   68.362   7.3388   16.403   3.4180   17.241   3.5015  -0.5356   15.744   70.108   7.3243   54.190   23.293 15.91778 24.41779 
1 1 1   -2   46   15 o   65.762   21.869   14.738   11.638   15.254   16.116   14.176   16.824   70.555   25.592   70.022   26.021 0.5326843 36.49681 
1 1 1   -2   46   16 o  130.198   21.137   62.098   18.394   0.0000   0.0000   62.098   18.394  ?   ?   130.198   21.137 0.000000 21.13730 
1 1 1   -2   48    1 o  406.811   5.2281  572.834   14.720  551.342   20.164  597.355   21.538  399.065   7.3006  415.379   7.4919 -16.31396 10.46078 
1 1 1   -2   48    2 o  439.684   5.2326  669.156   15.923  679.590   22.447  658.587   22.592  443.050   7.3203  436.145   7.4841 6.904633 10.46891 
1 1 1   -2   48    3 o  796.690   6.4281  2197.29   35.444  2137.13   48.869  2264.07   51.485  785.567   8.9882  808.547   9.2003 -22.97992 12.86207 
1 1 1   -2   48    4 o  406.043   5.9064  570.745   16.599  541.951   26.811  588.640   21.136  395.547   9.7935  412.318   7.4066 -16.77078 12.27890 
1 1 1   -2   48    5 o  453.994   5.2106  713.484   16.372  707.428   22.707  720.042   23.629  451.996   7.2584  455.999   7.4869 -4.003174 10.42777 
1 1 1   -2   48    6 o  470.463   5.2436  766.234   17.074  742.159   23.327  794.016   25.058  462.931   7.2805  478.818   7.5613 -15.88657 10.49661 
1 1 1   -2   48    7 o  188.265   7.4136  122.767   9.6600  116.800   11.460  137.415   17.954  183.593   9.0189  198.555   13.139 -14.96260 15.93688 
1 1 1   -2   48    8 o  486.108   5.1989  818.173   17.491  759.188   23.229  895.406   26.581  468.144   7.1693  508.382   7.5544 -40.23819 10.41479 
1 1 1   -2   48    9 o  292.494   6.4648  296.353   13.087  281.805   23.236  303.113   15.838  284.897   11.784  295.747   7.7377 -10.85056 14.09745 
1 1 1   -2   48   10 o  355.739   5.5703  438.320   13.715  425.512   20.632  448.460   18.358  350.297   8.5098  359.711   7.3740 -9.413727 11.26015 
1 1 1   -2   48   11 o  309.489   6.5443  331.947   14.018  331.947   14.018   0.0000   0.0000  309.489   6.5443  ?   ?  0.000000 6.544269 
1 1 1   -2   48   12 o   54.455   15.300   10.642   6.0051   10.229   6.4923   13.088   15.800   53.821   16.145   68.172   25.240 -14.35053 29.96167 
1 1 1   -2   48   13 o  153.629   6.4865   81.844   6.8971  101.917   8.2877   36.624   12.439  171.409   6.9859  100.508   18.566 70.90021 19.83655 
1 1 1   -2   48   15 o  214.018   10.087  159.656   14.942  170.000   22.746  151.805   19.817  219.380   15.072  207.581   13.873 11.79901 20.48484 
1 1 1   -2   48   16 o  165.108   12.054   96.044   13.680   80.293   19.155  112.439   19.543  148.859   19.028  177.549   16.078 -28.69009 24.91071 
1 1 1   -2   50    1 o  741.200   6.1826  1901.93   31.717  1891.14   44.427  1913.14   45.293  738.950   8.6868  743.227   8.8051 -4.276794 12.36891 
1 1 1   -2   50    2 o  437.463   5.2673  662.466   15.948  645.038   22.064  681.534   23.078  431.606   7.3861  443.643   7.5162 -12.03735 10.53790 
1 1 1   -2   50    3 o  151.509   8.6481   79.767   9.0308   87.819   12.995   72.247   12.559  158.721   11.917  143.786   12.752 14.93463 17.45364 
1 1 1   -2   50    4 o  343.678   5.3728  408.902   12.780  384.483   17.450  437.154   18.769  333.195   7.5668  355.283   7.6331 -22.08780 10.74805 
1 1 1   -2   50    5 o  184.406   7.2026  117.771   9.1926  105.704   12.279  133.160   13.866  174.335   10.221  195.735   10.271 -21.40007 14.49037 
1 1 1   -2   50    6 o   86.211   15.683   26.629   9.0128   31.310   10.292   11.229   18.668   93.530   16.502   70.134   27.095 23.39617 31.72455 
1 1 1   -2   50    7 o  307.472   5.3924  327.353   11.475  323.740   15.477  331.765   17.101  305.694   7.3152  309.427   7.9854 -3.733337 10.82953 
1 1 1   -2   50    8 o  422.785   5.1630  618.960   15.108  599.156   20.513  642.436   22.334  415.847   7.1271  430.577   7.4945 -14.72964 10.34225 
1 1 1   -2   50    9 f  359.327   5.7268  447.225   14.242  425.805   21.648  463.571   18.911  350.387   8.9269  365.717   7.4713 -15.33057 11.64084 
1 1 1   -2   50   10 o  170.152   8.6614  100.696   10.166   90.829   17.194  106.000   12.606  160.616   15.667  174.388   10.493 -13.77220 18.85604 
1 1 1   -2   50   11 o  296.051   5.1242  303.616   10.499  314.442   14.044  289.896   15.810  301.171   6.7374  289.081   7.9017 12.08975 10.38411 
1 1 1   -2   50   12 o   49.924   16.169   8.4664   6.3784   10.105   6.8655  -1.8654   17.242   53.804   16.695   55.733   24.166 -1.928368 29.37194 
1 1 1   -2   50   13 o  184.412   5.5267  117.885   7.0540  144.669   9.4448   84.097   10.608  204.211   6.6825  155.155   9.9304 49.05609 11.96949 
1 1 1   -2   50   14 o  180.610   6.0883  113.160   7.6105  115.476   8.3694  102.098   18.290  182.408   6.6294  169.689   15.753 12.71912 17.09117 
1 1 1   -2   50   15 f   47.277   20.254   0.0026   11.833  -9.4927   16.917   9.0976   16.557   49.300   22.465   63.902   25.271 -14.60195 33.81328 
1 1 1   -2   52    1 o  323.398   5.4837  362.082   12.274  374.542   17.298  349.448   17.419  328.851   7.6002  317.632   7.9235 11.21875 10.97932 
1 1 1   -2   52    2 o  446.585   5.2995  690.455   16.380  687.686   22.980  693.315   23.355  445.598   7.4511  447.413   7.5420 -1.815247 10.60194 
1 1 1   -2   52    3 o  322.048   5.4233  359.081   12.088  366.262   16.919  351.593   17.277  325.183   7.5176  318.592   7.8352 6.590851 10.85841 
1 1 1   -2   52    4 o  156.814   9.8645   85.578   10.652   91.171   18.713   82.897   12.955  161.019   17.051  154.089   12.249 6.929428 20.99443 
1 1 1   -2   52    5 o  537.964   6.3787  1002.29   23.750  982.927   40.899  1012.15   29.172  532.317   11.101  540.497   7.7983 -8.179688 13.56637 
1 1 1   -2   52    6 o  115.222   11.481   46.528   9.0339   49.546   10.838   39.659   16.352  118.673   13.432  104.434   23.224 14.23891 26.82870 
1 1 1   -2   52    7 o  328.173   6.1951  373.048   14.071  365.768   16.458  392.829   27.129  324.895   7.3190  336.358   11.654 -11.46310 13.76131 
1 1 1   -2   52    8 o  252.993   5.8213  221.708   10.193  212.697   13.456  233.842   15.614  247.701   7.8489  259.671   8.6878 -11.96973 11.70825 
1 1 1   -2   52    9 o  111.679   10.900   43.737   8.3177   38.693   11.479   49.312   12.069  104.035   16.493  117.988   15.128 -13.95318 22.37985 
1 1 1   -2   52   10 o  180.767   8.5002  113.392   10.635  122.293   19.416  109.577   12.711  186.569   15.168  177.277   10.405 9.291931 18.39383 
1 1 1   -2   52   11 o  399.750   4.9864  553.614   13.796  542.875   18.568  566.848   20.613  395.668   6.7804  404.235   7.3676 -8.567047 10.01275 
1 1 1   -2   52   12 o   74.340   12.505   19.797   6.2058   24.992   7.8041   10.863   10.235   83.451   14.008   58.573   20.484 24.87830 24.81581 
1 1 1   -2   52   13 o  121.459   7.3834   51.412   6.1773   66.334   7.9271   28.339   9.8570  137.903   8.3447   88.334   16.735 49.56843 18.70048 
1 1 1   -2   52   14 o  126.897   6.4711   56.043   5.6645   70.976   7.9071   40.299   8.1188  142.646   8.0418  106.858   11.141 35.78841 13.74058 
1 1 1   -2   52   15 o  213.774   10.284  159.687   15.215  134.683   21.488  184.829   21.547  194.346   16.121  228.756   13.672 -34.41005 21.13746 
1 1 1   -2   54    1 o  231.289   7.2529  185.300   11.610  179.931   13.865  197.902   21.241  227.862   8.7915  238.428   12.920 -10.56595 15.62755 
1 1 1   -2   54    2 o  471.066   6.1320  768.460   19.992  793.659   34.766  756.010   24.437  478.397   10.500  467.148   7.5581 11.24915 12.93728 
1 1 1   -2   54    3 o  261.374   5.9071  236.578   10.686  224.725   14.654  250.039   15.616  254.655   8.3143  268.611   8.4000 -13.95599 11.81898 
1 1 1   -2   54    4 o  348.923   5.3799  421.577   12.992  435.205   18.107  407.117   18.652  354.420   7.3817  342.765   7.8625 11.65469 10.78463 
1 1 1   -2   54    5 o  163.410   8.1049   92.550   9.1664   98.466   12.167   84.784   13.939  168.138   10.508  155.671   13.058 12.46657 16.76138 
1 1 1   -2   54    6 o  321.414   5.4258  357.776   12.070  345.701   16.375  372.142   17.861  315.833   7.4909  327.664   7.8759 -11.83060 10.86939 
1 1 1   -2   54    7 o  396.922   5.2639  545.645   14.461  541.823   20.008  549.826   20.924  395.379   7.3116  398.265   7.5909 -2.885223 10.53951 
1 1 1   -2   54    8 o   47.522   18.169   5.4169   8.3345   14.361   11.667  -3.9031   11.910   65.671   21.899   44.281   19.613 21.38938 29.39790 
1 1 1   -2   54    9 o   30.740   14.229  -6.0129   7.1617 -13.8783   9.0482   7.1792   11.718   30.211   14.556   55.605   21.471 -25.39408 25.93980 
1 1 1   -2   54   10 o  257.916   5.4388  230.499   9.7087  224.682   13.036  237.743   14.548  254.500   7.4009  261.737   8.0309 -7.236572 10.92108 
1 1 1   -2   54   11 o  234.515   8.5450  191.032   13.869  224.781   22.032  168.878   17.850  253.844   12.540  219.822   11.776 34.02127 17.20238 
1 1 1   -2   54   12 o  196.317   6.0501  133.663   8.2205  139.368   10.765  125.683   12.732  200.321   7.7646  189.794   9.7250 10.52711 12.44444 
1 1 1   -2   54   13 o  221.536   6.4203  170.330   9.8442  179.331   11.471  145.171   19.178  227.219   7.2940  203.032   13.729 24.18697 15.54593 
1 1 1   -2   56    1 o  268.693   5.8451  250.033   10.870  272.993   15.602  228.376   15.153  280.663   8.0319  256.681   8.5294 23.98199 11.71591 
1 1 1   -2   56    2 o   76.459   17.782   21.192   9.2323   18.035   10.856   29.439   17.548   71.170   20.758   90.601   26.382 -19.43108 33.56946 
1 1 1   -2   56    3 o  467.670   5.2998  757.399   17.154  781.650   24.338  733.457   24.182  474.943   7.4041  460.052   7.5947 14.89035 10.60661 
1 1 1   -2   56    4 o  108.021   11.372   40.960   8.3742   48.046   11.347   32.486   12.409  116.650   14.358   94.709   19.578 21.94160 24.27908 
1 1 1   -2   56    5 o  260.954   5.9490  235.891   10.744  226.194   14.765  246.805   15.664  255.410   8.3527  266.785   8.4835 -11.37482 11.90537 
1 1 1   -2   56    6 o  224.233   6.3894  174.221   9.9161  164.221   13.558  185.720   14.540  217.567   9.0041  231.366   9.0800 -13.79871 12.78748 
1 1 1   -2   56    7 o   52.090   18.870   7.8772   8.7579   26.551   13.170  -6.9289   11.727   85.296   22.122   41.396   18.802 43.89936 29.03236 
1 1 1   -2   56    8 o   41.861   17.629   0.7337   8.7048   4.7544   9.9347 -12.5561   18.062   49.464   19.571   49.999   22.945 -0.5349312 30.15803 
1 1 1   -2   56   10 o   69.210   15.273   17.416   7.1197   15.851   9.1297   19.846   11.374   66.269   18.951   73.977   21.152 -7.707146 28.39998 
1 1 1   -2   56   11 o   76.578   14.202   21.169   7.2498   19.553   9.2860   23.692   11.602   73.049   18.382   80.250   20.739 -7.200706 27.71282 
1 1 1   -2   56   12 o  162.380   6.9043   91.540   7.7595  104.305   10.389   75.431   11.670  172.953   8.7064  146.527   11.602 26.42622 14.50567 
1 1 1   -2   58    1 o   62.631   17.701   14.049   8.0135   16.334   11.098   11.561   11.583   68.424   21.225   61.515   21.768 6.909286 30.40329 
1 1 1   -2   58    2 o  452.467   5.3141  709.034   16.642  710.026   23.299  708.001   23.778  452.610   7.4376  451.948   7.6017 0.6617126 10.63498 
1 1 1   -2   58    3 o  406.468   6.2184  572.394   17.494  563.903   30.024  576.758   21.525  402.983   10.765  407.898   7.6246 -4.914276 13.19155 
1 1 1   -2   58    4 o  303.871   6.3296  319.940   13.312  317.362   16.369  324.976   22.876  302.544   7.8173  305.887   10.805 -3.342316 13.33656 
1 1 1   -2   58    5 o  201.168   6.7671  140.260   9.4219  153.286   12.995  125.822   13.681  210.182   8.9330  190.048   10.441 20.13446 13.74086 
1 1 1   -2   58    6 o  395.563   6.2139  542.241   17.012  530.732   29.705  547.858   20.752  390.756   10.984  397.473   7.5435 -6.717529 13.32473 
1 1 1   -2   58    7 o  294.406   5.5807  300.323   11.371  301.520   15.742  299.016   16.444  294.823   7.7148  293.561   8.0933 1.262115 11.18119 
1 1 1   -2   58    8 o  246.941   6.0501  211.374   10.340  224.590   14.059  195.803   15.261  254.388   7.9854  237.405   9.2878 16.98274 12.24863 
1 1 1   -2   58    9 o  156.088   10.323   85.135   11.089   85.135   11.089   0.0000   0.0000  156.088   10.323  ?   ?  0.000000 10.32304 
1 1 1   -2   58   10 o  216.362   6.9503  162.452   10.408  158.231   12.703  171.073   18.155  213.375   8.6014  221.120   11.907 -7.745377 14.68840 
1 1 1   -2   58   11 o   97.587   11.363   33.675   7.5311   36.535   9.7771   29.504   11.810  101.090   14.379   89.540   19.600 11.55016 24.30939 
1 1 1   -2   58   12 o  234.563   6.2785  190.984   10.193  212.244   14.917  172.366   13.960  246.922   8.7288  222.467   9.0663 24.45438 12.58529 
1 1 1   -2   60    1 o  223.267   6.5250  172.744   10.083  170.213   14.115  175.382   14.408  221.471   9.2087  224.805   9.2601 -3.333939 13.05945 
1 1 1   -2   60    2 f  489.362   5.4103  829.537   18.324  847.291   26.011  812.045   25.819  494.334   7.6027  483.930   7.7087 10.40433 10.82704 
1 1 1   -2   60    3 o  329.034   7.5325  375.397   17.154  375.397   17.154   0.0000   0.0000  329.034   7.5325  ?   ?  0.000000 7.532498 
1 1 1   -2   60    4 o  254.340   5.9718  224.156   10.512  224.081   14.537  224.238   15.220  254.144   8.2643  254.203   8.6509 -0.5860901E-01 11.96398 
1 1 1   -2   60    5 o  266.069   5.8695  245.316   10.809  255.847   15.125  234.324   15.452  271.556   8.0472  259.837   8.5925 11.71942 11.77235 
1 1 1   -2   60    6 o  216.773   6.6458  162.922   9.9707  151.171   13.854  175.548   14.361  208.594   9.5964  224.818   9.2292 -16.22382 13.31431 
1 1 1   -2   60    7 o  240.007   6.2375  199.706   10.361  213.312   14.360  184.929   14.965  247.866   8.3704  230.691   9.3730 17.17514 12.56649 
1 1 1   -2   60    8 o  137.684   8.9952   66.157   8.5246   62.278   11.454   70.972   12.763  133.021   12.591  141.979   13.137 -8.957962 18.19684 
1 1 1   -2   60    9 o   79.665   19.532   23.326   10.687   23.326   10.687   0.0000   0.0000   79.665   19.532  ?   ?  0.000000 19.53198 
1 1 1   -2   60   10 o   56.973   17.468   11.493   7.5415   10.360   10.018   12.975   11.457   57.379   20.251   62.908   21.691 -5.528732 29.67476 
1 1 1   -2   60   11 o  191.237   7.2692  127.072   9.6213  145.707   14.117  110.907   13.148  204.416   9.9782  177.923   10.727 26.49286 14.65040 
1 1 1   -2   60   12 o   80.474   17.603   23.892   9.5318   46.722   20.561   17.642   10.758  110.477   27.097   69.503   20.767 40.97466 34.13945 
1 1 1   -2   62    1 o  176.552   8.8149  108.195   10.771  109.219   18.914  107.702   13.104  176.135   15.679  175.686   10.829 0.4493866 19.05558 
1 1 1   -2   62    2 o   70.770   17.109   18.228   8.2875   9.3062   11.451   28.044   12.010   58.000   21.484   87.603   20.219 -29.60231 29.50179 
1 1 1   -2   62    3 o  167.122   7.8279   96.898   9.0544   96.855   12.485   96.945   13.150  166.538   10.892  166.531   11.480 0.6500244E-02 15.82445 
1 1 1   -2   62    4 f   47.221   18.549   4.5986   8.8646   5.1551   10.397   3.1176   16.962   50.769   20.043   59.483   24.799 -8.713402 31.88574 
1 1 1   -2   62    5 o  236.460   6.9313  193.923   11.344  211.317   18.562  183.555   14.331  246.435   10.883  229.876   9.0075 16.55966 14.12718 
1 1 1   -2   62    6 o  146.994   8.8759   75.339   8.9877   80.414   12.447   69.811   12.991  151.431   11.974  140.763   13.500 10.66818 18.04529 
1 1 1   -2   62    7 o  247.523   6.1884  212.465   10.602  211.334   14.832  213.647   15.159  246.613   8.6899  247.942   8.8336 -1.329224 12.39142 
1 1 1   -2   62    9 o   81.922   14.711   24.251   8.0346   32.469   10.820   14.149   11.996   94.544   17.167   65.135   22.204 29.40983 28.06655 
1 1 1   -2   62   10 o   77.933   16.880   22.272   8.8416   28.159   10.308   5.8878   17.197   87.690   17.597   61.699   25.271 25.99085 30.79412 
1 1 1   -2   62   11 o   99.389   11.271   35.005   7.6162   32.396   10.351   38.084   11.247   94.332   16.453  102.478   16.410 -8.146225 23.23759 
1 1 1   -2   64    1 o  223.579   7.4497  173.426   11.528  177.122   19.519  171.447   14.285  225.075   12.581  222.143   9.2914 2.932602 15.63969 
1 1 1   -2   64    2 o  165.816   11.295   96.153   12.885  118.732   18.738   75.902   17.746  183.697   14.866  145.955   17.945 37.74152 23.30287 
1 1 1   -2   64    3 o  120.901   10.302   51.208   8.5383   64.756   11.669   35.592   12.527  135.707   12.566   98.967   18.979 36.74014 22.76214 
1 1 1   -2   64    5 o  235.954   6.3545  193.086   10.377  211.289   14.886  175.877   14.474  246.589   8.7224  224.915   9.2981 21.67419 12.74895 
1 1 1   -2   64    6 o  193.834   7.3094  130.423   9.8060  138.013   13.859  122.815   13.877  198.862   10.103  187.458   10.740 11.40399 14.74498 
1 1 1   -2   64    7 o  271.898   6.0830  256.433   11.447  243.527   15.902  270.316   16.492  264.647   8.6816  278.845   8.5455 -14.19714 12.18176 
1 1 1   -2   64    8 o  151.628   10.068   80.471   10.506   90.829   19.642   76.320   12.434  159.230   18.148  147.229   12.315 12.00038 21.93178 
1 1 1   -2   64    9 o   99.371   12.133   35.063   8.1713   42.901   11.213   26.188   11.932  109.353   15.229   83.969   20.671 25.38402 25.67488 
1 1 1   -2   66    1 o  145.252   12.532   74.160   12.475   74.160   12.475   0.0000   0.0000  145.252   12.532  ?   ?  0.000000 12.53222 
1 1 1   -2   66    2 o   64.742   17.904   15.209   8.2919   19.670   11.851   10.931   11.606   73.783   21.737   60.261   21.739 13.52213 30.74164 
1 1 1   -2   66    3 o  185.800   7.4456  119.839   9.5747  129.021   13.708  111.092   13.380  192.234   10.341  178.245   10.898 13.98842 15.02315 
1 1 1   -2   66    4 o  228.957   6.4469  181.853   10.216  190.474   14.437  173.208   14.458  234.059   8.9122  223.145   9.3613 10.91434 12.92526 
1 1 1   -2   66    5 o  107.884   11.512   41.061   8.4631   50.707   11.754   30.677   12.195  119.418   14.520   91.344   19.857 28.07448 24.59951 
1 1 1   -2   66    6 o  117.459   10.743   48.508   8.6366   59.058   12.397   38.559   12.039  129.035   14.111  103.158   17.487 25.87785 22.47021 
1 1 1   -2   66    7 o   69.325   19.015   17.621   9.3978   23.534   11.461   5.4829   16.420   79.739   20.615   60.281   24.692 19.45800 32.16642 
1 1 1   -2   66    8 o  116.295   10.742   47.640   8.5487   64.931   11.736   28.099   12.477  135.514   12.660   86.867   20.987 48.64611 24.50995 
1 1 1   -2   68    1 f  136.695   9.8505   65.386   9.2569   58.955   12.973   72.058   13.213  128.826   14.820  142.867   13.524 -14.04141 20.06266 
1 1 1   -2   68    2 o  183.754   7.4918  117.267   9.5279  120.980   13.728  113.817   13.235  185.992   10.709  180.395   10.648 5.597397 15.10168 
1 1 1   -2   68    3 o   81.202   17.782   24.165   9.7166   19.293   17.065   26.503   11.820   76.185   26.461   84.713   20.403 -8.527771 33.41327 
1 1 1   -2   68    4 f  242.925   6.2561  204.771   10.519  231.327   15.176  180.220   14.592  257.901   8.5022  227.530   9.2661 30.37109 12.57570 
1 1 1   -2   68    5 o  171.197   7.5590  101.853   8.9565  106.959   12.876   97.067   12.467  174.749   10.698  166.405   10.885 8.343506 15.26147 
1 1 1   -2   68    6 o   89.972   19.019   29.845   11.473   29.845   11.473   0.0000   0.0000   89.972   19.019  ?   ?  0.000000 19.01883 
1 1 1   -2   70    1 o  164.454   8.5057   94.343   9.6481   91.461   13.239   97.606   14.090  161.289   11.945  166.568   12.309 -5.278763 17.15180 
1 1 1   -2   70    2 o  109.602   13.519   42.756   10.038   54.049   17.238   36.962   12.347  121.289   21.312  100.594   18.412 20.69565 28.16425 
1 1 1   -2   70    3 o   98.973   13.153   34.937   8.7869   26.276   12.062   44.731   12.826   84.096   20.831  111.185   17.225 -27.08936 27.03060 
1 1 1   -2   70    4 o  141.141   11.208   70.083   10.859   77.512   18.171   65.957   13.543  146.589   18.310  136.113   14.604 10.47578 23.42037 
1 1 1   -1    1    2 o  1746.71   11.803 10559.87  142.686 10687.72  204.462 10438.50  199.218  1757.10   16.813  1736.50   16.576 20.59973 23.60990 
1 1 1   -1    1    3 f  1579.10   10.754  8630.33  117.534  8596.45  165.498  8664.81  166.948  1575.89   15.174  1582.14   15.246 -6.250854 21.51011 
1 1 1   -1    1    4 o  1496.14   10.243  7747.30  106.062  7760.97  150.292  7733.73  149.699  1497.35   14.502  1494.72   14.470 2.629639 20.48676 
1 1 1   -1    1    5 f  1579.41   12.449  8634.49  136.082  8721.95  238.405  8592.22  165.734  1587.00   21.705  1575.44   15.200 11.55835 26.49786 
1 1 1   -1    1    6 o  1740.00   11.808 10480.24  142.206 10483.84  201.144 10476.65  201.076  1740.06   16.702  1739.46   16.702 0.5969238 23.62018 
1 1 1   -1    1    7 o  1176.42   16.629  4794.15  135.392  4794.15  135.392   0.0000   0.0000  1176.42   16.629  ?   ?  0.000000 16.62858 
1 1 1   -1    1    8 o  365.053   4.9141  461.243   12.416  460.252   15.215  463.220   21.479  364.646   6.0289  365.776   8.4846 -1.130066 10.40843 
1 1 1   -1    1    9 o  432.610   4.5371  647.729   13.585  649.434   19.254  646.039   19.170  433.152   6.4226  432.019   6.4111 1.133575 9.074793 
1 1 1   -1    1   10 o  911.056   6.8137  2872.92   42.964  2943.13   62.102  2808.46   59.502  922.026   9.7316  900.692   9.5450 21.33411 13.63123 
1 1 1   -1    1   11 o  1713.19   13.495 10163.22  160.011 10159.46  195.942 10170.73  277.234  1712.60   16.531  1712.74   23.387 -0.1370850 28.63967 
1 1 1   -1    1   12 o  1370.60   9.5746  6503.03   90.826  6559.40  129.636  6448.69  127.290  1376.30   13.609  1364.64   13.477 11.65527 19.15326 
1 1 1   -1    1   13 o  846.068   6.5504  2477.70   38.357  2456.95   53.853  2499.05   54.646  842.432   9.2363  849.617   9.2931 -7.185242 13.10233 
1 1 1   -1    1   14 f  803.581   7.3513  2235.43   40.886  2216.78   49.766  2274.15   71.715  800.152   8.9863  810.218   12.789 -10.06561 15.63031 
1 1 1   -1    1   15 o  532.359   5.2513  980.995   19.349  986.440   27.440  975.612   27.287  533.765   7.4276  530.828   7.4273 2.937561 10.50403 
1 1 1   -1    1   16 o  338.655   5.0889  397.038   11.928  407.442   16.928  386.778   16.810  342.999   7.1306  334.183   7.2678 8.815857 10.18170 
1 1 1   -1    1   17 o  524.735   6.0360  953.659   21.921  962.386   27.081  937.073   37.335  527.017   7.4244  519.725   10.379 7.292419 12.76132 
1 1 1   -1    1   18 o  375.717   5.0994  488.918   13.261  500.943   18.938  477.352   18.574  380.150   7.1979  371.088   7.2317 9.062347 10.20329 
1 1 1   -1    1   19 o  137.477   9.8880   66.021   9.3456   54.780   16.345   71.481   11.391  123.285   19.828  142.833   11.624 -19.54782 22.98372 
1 1 1   -1    1   20 o  111.265   12.538   43.769   9.4871   48.876   11.958   35.093   15.586  117.132   15.102   97.267   23.430 19.86522 27.87505 
1 1 1   -1    1   21 o   81.386   13.742   23.867   7.4650   32.367   10.629   15.592   10.487   94.337   16.899   66.137   20.652 28.19991 26.68469 
1 1 1   -1    1   22 o   46.242   17.262   5.9382   7.4205   1.7244   10.404   10.301   10.587   46.072   19.331   57.505   20.759 -11.43227 28.36605 
1 1 1   -1    3    1 o  3484.50   26.594 42051.28  641.357 43058.54  1141.31 41586.40  775.363  3523.00   46.807  3464.52   32.336 58.48608 56.89038 
1 1 1   -1    3    2 o  2017.48   15.635 14089.39  218.323 13765.85  368.449 14264.46  271.027  1993.64   26.703  2029.83   19.292 -36.19055 32.94258 
1 1 1   -1    3    3 o  1240.01   8.6408  5321.55   74.158  5386.28  106.212  5259.98  103.587  1247.47   12.302  1232.76   12.141 14.71008 17.28388 
1 1 1   -1    3    4 o  1227.71   9.8989  5216.74   84.112  5261.66  103.981  5131.71  143.069  1232.95   12.185  1217.51   16.978 15.43481 20.89839 
1 1 1   -1    3    5 o  1017.48   7.3254  3582.91   51.586  3613.42   73.575  3553.41   72.349  1021.76   10.404  1013.24   10.317 8.519470 14.65197 
1 1 1   -1    3    6 o  625.797   5.1808  1355.31   22.439  1391.38   32.427  1322.17   31.083  634.052   7.3892  618.081   7.2662 15.97028 10.36330 
1 1 1   -1    3    7 o  342.916   4.1348  406.958   9.8133  419.923   14.029  394.537   13.732  348.324   5.8193  337.630   5.8764 10.69363 8.270223 
1 1 1   -1    3    8 o  576.692   5.0202  1151.09   20.037  1140.73   28.135  1161.76   28.543  574.042   7.0816  579.308   7.1189 -5.266724 10.04132 
1 1 1   -1    3    9 o  926.787   6.8805  2973.22   44.134  2982.45   62.601  2964.10   62.231  928.095   9.7457  925.237   9.7181 2.858643 13.76298 
1 1 1   -1    3   10 o  1244.52   10.124  5362.15   87.204  5385.35  107.314  5317.07  149.627  1247.07   12.433  1238.75   17.452 8.322388 21.42819 
1 1 1   -1    3   11 o  619.609   5.3333  1328.69   22.871  1327.08   32.321  1330.31   32.368  619.203   7.5419  619.955   7.5436 -0.7529297 10.66703 
1 1 1   -1    3   12 o  587.593   6.0812  1194.97   24.731  1215.61   43.608  1185.19   30.026  592.562   10.633  585.164   7.4139 7.398132 12.96258 
1 1 1   -1    3   13 o  1099.83   9.1927  4187.69   69.975  4250.73  122.778  4157.37   85.159  1107.61   16.016  1095.72   11.229 11.88171 19.56054 
1 1 1   -1    3   14 o  423.121   4.9948  619.651   14.627  626.703   20.818  612.776   20.557  425.486   7.0692  420.732   7.0594 4.753876 9.990417 
1 1 1   -1    3   15 o  554.571   5.3306  1064.58   20.460  1065.02   28.901  1064.14   28.970  554.612   7.5290  554.381   7.5502 0.2304688 10.66266 
1 1 1   -1    3   16 o  356.110   5.7695  439.071   14.220  445.713   17.519  426.244   24.345  358.748   7.0558  350.690   10.030 8.058411 12.26337 
1 1 1   -1    3   17 o  401.765   5.0754  558.924   14.113  559.899   19.985  557.953   19.933  401.995   7.1831  401.296   7.1767 0.6988525 10.15393 
1 1 1   -1    3   18 o  206.548   7.1506  147.882   10.222  133.561   17.672  155.083   12.531  195.471   13.139  211.440   8.5631 -15.96909 15.68282 
1 1 1   -1    3   19 o  125.531   9.3764   55.046   8.0876   58.710   11.174   51.014   11.721  129.188   12.660  120.030   14.396 9.158066 19.17056 
1 1 1   -1    3   20 o   82.962   13.390   24.661   7.4264   34.246   10.721   15.820   10.297   97.420   16.489   66.652   20.406 30.76764 26.23569 
1 1 1   -1    3   21 o   69.916   15.814   17.907   7.4730   16.237   10.787   19.448   10.362   67.371   20.931   72.688   19.979 -5.316704 28.93520 
1 1 1   -1    3   22 o   78.397   16.866   22.694   8.8799   18.542   10.673   32.034   16.007   70.799   20.563   91.697   24.678 -20.89806 32.12181 
1 1 1   -1    5    1 o  3350.41   25.595 38875.23  593.504 39058.54  1033.56 38785.06  724.940  3355.73   44.501  3345.89   31.305 9.833008 54.40933 
1 1 1   -1    5    2 o  2718.42   20.856 25586.14  392.400 25648.78  681.373 25555.05  479.987  2720.32   36.190  2716.41   25.530 3.908447 44.28892 
1 1 1   -1    5    3 o  1796.83   17.176 11176.97  213.606 11176.97  213.606   0.0000   0.0000  1796.83   17.176  ?   ?  0.000000 17.17626 
1 1 1   -1    5    4 o  1706.11   11.573 10074.90  136.661  9949.58  190.661 10207.32  195.986  1695.31   16.249  1717.12   16.491 -21.80847 23.15148 
1 1 1   -1    5    5 o  2162.76   14.490 16192.33  216.900 16318.34  309.424 16070.60  304.129  2170.78   20.595  2154.26   20.398 16.52734 28.98657 
1 1 1   -1    5    6 o  739.437   11.597  1892.68   59.349   0.0000   0.0000  1892.68   59.349  ?   ?   739.437   11.597 0.000000 11.59666 
1 1 1   -1    5    7 o  681.857   5.4892  1609.12   25.905  1596.84   36.424  1621.68   36.849  679.208   7.7484  684.470   7.7784 -5.261780 10.97913 
1 1 1   -1    5    8 o  734.245   6.6759  1866.22   33.926  1901.27   42.289  1802.93   56.827  741.048   8.2453  721.474   11.380 19.57397 14.05330 
1 1 1   -1    5    9 o  499.262   5.5118  862.738   19.046  858.248   23.129  872.195   33.568  497.941   6.7113  501.902   9.6633 -3.961548 11.76524 
1 1 1   -1    5   10 o  390.374   4.4996  527.405   12.157  519.523   17.026  535.603   17.364  387.429   6.3495  393.379   6.3778 -5.949738 8.999610 
1 1 1   -1    5   11 o  1181.30   8.4035  4830.26   68.706  4855.29   97.685  4805.75   96.654  1184.21   11.919  1178.15   11.853 6.053223 16.80933 
1 1 1   -1    5   12 o  1307.34   10.599  5917.08   95.899  5956.10  167.015  5897.89  117.132  1311.10   18.405  1305.09   12.968 6.009766 22.51479 
1 1 1   -1    5   13 f  384.242   4.8414  510.984   12.875  505.820   18.205  516.152   18.212  382.273   6.8807  386.158   6.8142 -3.885468 9.683903 
1 1 1   -1    5   14 o  763.013   6.1564  2015.22   32.511  2033.10   46.278  1997.79   45.684  766.292   8.7257  759.610   8.6895 6.682983 12.31441 
1 1 1   -1    5   15 o  422.379   5.7741  617.576   16.880  617.817   20.539  617.073   29.628  422.429   7.0251  422.066   10.142 0.3629150 12.33777 
1 1 1   -1    5   16 o  306.917   5.2404  326.118   11.132  331.877   15.504  319.989   15.993  309.555   7.2363  303.948   7.6027 5.607666 10.49591 
1 1 1   -1    5   17 o  244.594   7.8631  207.336   13.311  207.336   13.311   0.0000   0.0000  244.594   7.8631  ?   ?  0.000000 7.863060 
1 1 1   -1    5   18 o  338.583   5.8910  397.169   13.805  381.317   23.748  405.260   16.966  331.359   10.355  341.919   7.1692 -10.55978 12.59452 
1 1 1   -1    5   19 o  315.013   5.3281  343.840   11.617  327.998   16.273  360.302   16.588  307.464   7.6471  322.272   7.4371 -14.80811 10.66720 
1 1 1   -1    5   20 o  153.277   7.6438   81.585   8.1089   62.408   11.463  100.793   11.472  133.085   12.595  169.900   9.7977 -36.81520 15.95698 
1 1 1   -1    5   21 f  203.135   12.919  145.219   18.069  145.219   18.069   0.0000   0.0000  203.135   12.919  ?   ?  0.000000 12.91924 
1 1 1   -1    5   22 o   42.813   17.062   3.5704   7.6005   1.0420   10.457   6.4022   11.066   45.413   19.234   52.792   20.729 -7.379025 28.27805 
1 1 1   -1    7    1 o  2969.39   19.682 30526.86  404.499 30591.12  573.436 30463.21  570.669  2971.83   27.879  2965.62   27.803 6.211670 39.37348 
1 1 1   -1    7    2 o  738.630   11.400  1888.29   58.279  1888.29   58.279   0.0000   0.0000  738.630   11.400  ?   ?  0.000000 11.40009 
1 1 1   -1    7    3 o  1057.38   15.132  3870.24  110.743  3870.24  110.743   0.0000   0.0000  1057.38   15.132  ?   ?  0.000000 15.13239 
1 1 1   -1    7    4 o  541.066   5.4410  1013.13   20.375  988.208   24.388  1070.73   37.076  534.364   6.5942  556.209   9.6311 -21.84528 11.67226 
1 1 1   -1    7    5 o  2556.29   17.031 22624.58  301.312 22552.92  424.558 22697.30  427.699  2551.61   24.041  2559.75   24.141 -8.143799 34.06991 
1 1 1   -1    7    6 o  301.560   3.9759  314.710   8.2983  322.062   11.830  307.587   11.644  305.056   5.6030  298.122   5.6431 6.934357 7.952237 
1 1 1   -1    7    7 o  147.930   5.7505   75.741   5.8877   88.293   11.114   70.844   6.9417  159.371   10.129  143.064   7.0106 16.30775 12.31834 
1 1 1   -1    7    8 o  461.570   4.5480  737.370   14.529  764.642   20.974  712.212   20.145  469.994   6.4480  453.595   6.4169 16.39868 9.096839 
1 1 1   -1    7    9 o  647.706   6.2028  1452.08   27.806  1445.67   34.076  1464.88   48.104  646.239   7.6186  650.421   10.686 -4.182312 13.12367 
1 1 1   -1    7   10 o  412.613   4.5717  589.209   13.056  585.795   18.333  592.721   18.596  411.399   6.4387  413.823   6.4928 -2.424408 9.144027 
1 1 1   -1    7   11 o  1025.52   7.4900  3640.13   53.162  3658.67   75.614  3622.01   74.759  1028.03   10.627  1022.86   10.560 5.161621 14.98181 
1 1 1   -1    7   12 o  831.877   6.4348  2395.15   37.048  2411.59   52.770  2379.18   52.027  834.660   9.1348  829.034   9.0673 5.625549 12.87090 
1 1 1   -1    7   13 o  509.810   5.8606  899.580   20.679  944.878   37.486  879.766   24.793  522.390   10.368  504.143   7.1054 18.24658 12.56922 
1 1 1   -1    7   14 o  854.327   6.6236  2526.54   39.164  2584.25   56.536  2473.31   54.305  863.892   9.4556  845.155   9.2838 18.73767 13.25134 
1 1 1   -1    7   15 o  201.994   7.0088  141.265   9.7985  129.925   12.076  163.122   16.765  193.686   9.0081  216.686   11.217 -23.00049 14.38656 
1 1 1   -1    7   16 o  530.832   6.0925  975.710   22.384  998.221   27.520  931.707   38.476  536.844   7.4067  518.399   10.724 18.44476 13.03307 
1 1 1   -1    7   17 o   75.133   14.158   20.268   7.0923   16.113   10.106   24.301   9.9562   67.503   20.119   81.899   18.051 -14.39661 27.02943 
1 1 1   -1    7   18 o  384.100   5.9358  511.155   15.780  517.916   19.309  497.561   27.379  386.522   7.2180  378.486   10.452 8.035950 12.70205 
1 1 1   -1    7   19 o  270.443   5.4699  253.449   10.238  245.573   14.427  261.440   14.532  266.018   7.8359  274.495   7.6494 -8.477325 10.95053 
1 1 1   -1    7   20 o  249.774   5.6280  216.309   9.7293  233.584   13.889  199.665   13.633  259.336   7.7382  239.713   8.2171 19.62280 11.28720 
1 1 1   -1    7   21 o  127.310   9.3122   56.770   8.1484   66.567   11.443   46.692   11.606  137.371   12.162  114.206   15.049 23.16534 19.34874 
1 1 1   -1    7   22 o   67.059   18.461   16.650   8.8393   12.742   10.600   25.571   16.015   61.191   20.872   82.657   25.474 -21.46672 32.93233 
1 1 1   -1    9    1 o  1276.22   8.8591  5636.87   78.251  5625.98  110.438  5647.84  110.891  1274.92   12.516  1277.40   12.543 -2.474243 17.71904 
1 1 1   -1    9    2 o  864.277   7.3583  2585.13   44.016  2606.67   54.421  2544.39   74.846  867.854   9.0603  857.383   12.613 10.47156 15.52983 
1 1 1   -1    9    3 o  1258.11   10.130  5478.27   88.207  5478.05  153.145  5478.38  107.902  1257.91   17.590  1258.08   12.392 -0.1693115 21.51721 
1 1 1   -1    9    4 o  2855.01   26.853 28237.71  530.607   0.0000   0.0000 28237.71  530.607  ?   ?   2855.01   26.853 0.000000 26.85270 
1 1 1   -1    9    5 o  1016.34   8.4610  3575.07   59.516  3455.40   70.168  3881.95  112.362  999.158   10.147  1058.91   15.332 -59.74805 18.38516 
1 1 1   -1    9    6 o  981.009   7.1359  3330.85   48.450  3327.55   55.773  3340.98   97.812  980.501   8.2187  982.285   14.387 -1.784302 16.56920 
1 1 1   -1    9    7 f  645.520   5.3073  1442.22   23.712  1424.92   33.216  1460.20   33.860  641.589   7.4802  649.482   7.5327 -7.892456 10.61576 
1 1 1   -1    9    8 o  515.369   5.4505  919.333   19.442  964.531   24.708  845.854   31.503  527.856   6.7630  494.250   9.2094 33.60657 11.42593 
1 1 1   -1    9    9 o  1390.14   9.6528  6690.61   92.873  6786.63  133.298  6600.02  129.470  1399.73   13.759  1380.38   13.552 19.35864 19.31249 
1 1 1   -1    9   10 o  1205.57   9.8499  5031.44   82.187  5019.51  141.536  5037.50  100.950  1203.69   16.989  1206.18   12.092 -2.488037 20.85343 
1 1 1   -1    9   11 o  1661.94   13.109  9563.86  150.785  9629.27  262.713  9531.73  184.133  1666.64   22.775  1658.91   16.037 7.726685 27.85519 
1 1 1   -1    9   12 o  758.691   6.0503  1992.23   31.770  2011.86   45.400  1973.39   44.473  762.364   8.6044  755.043   8.5104 7.320313 12.10213 
1 1 1   -1    9   13 o  918.339   6.9379  2919.20   44.097  2971.14   63.478  2870.76   61.303  926.350   9.9009  910.576   9.7273 15.77386 13.87975 
1 1 1   -1    9   14 o  671.321   8.0631  1560.30   37.464  1608.78   55.243  1519.02   50.977  681.495   11.712  662.243   11.122 19.25177 16.15155 
1 1 1   -1    9   15 o  765.140   6.1865  2026.75   32.761  2009.64   45.995  2044.38   46.675  761.754   8.7241  768.305   8.7776 -6.551880 12.37559 
1 1 1   -1    9   16 o  392.271   4.9702  532.720   13.494  543.538   19.295  522.365   18.878  396.151   7.0373  388.359   7.0234 7.791718 9.942430 
1 1 1   -1    9   17 o  156.693   8.6288   85.381   9.3218   85.366   17.341   85.387   11.055  155.707   16.334  156.542   10.260 -0.8345032 19.28948 
1 1 1   -1    9   18 o  317.155   5.1754  348.412   11.360  366.162   16.290  331.604   15.851  324.990   7.2421  309.261   7.4055 15.72910 10.35810 
1 1 1   -1    9   19 o  243.479   5.6329  205.452   9.4923  208.396   13.427  202.510   13.421  245.041   7.9169  241.546   8.0282 3.494934 11.27521 
1 1 1   -1    9   20 o  227.234   8.2063  179.429   12.906  187.610   19.560  173.122   17.175  231.453   12.254  222.816   11.137 8.636765 16.55922 
1 1 1   -1    9   21 o  292.318   5.5175  296.433   11.163  294.152   15.541  298.864   16.045  290.850   7.7201  293.136   7.9083 -2.285767 11.05179 
1 1 1   -1   11    1 o  1017.91   7.2970  3585.84   51.408  3609.73   73.170  3562.56   72.242  1021.26   10.352  1014.56   10.288 6.692505 14.59476 
1 1 1   -1   11    2 o  1354.06   9.3566  6345.60   87.686  6349.08  124.078  6342.12  123.937  1354.35   13.237  1353.61   13.229 0.7418213 18.71426 
1 1 1   -1   11    3 o  1276.48   12.574  5639.88  111.083  5639.88  111.083   0.0000   0.0000  1276.48   12.574  ?   ?  0.000000 12.57356 
1 1 1   -1   11    4 o  1500.91   11.878  7797.53  123.389  7858.54  215.039  7767.59  150.659  1506.43   20.625  1497.94   14.532 8.485229 25.23015 
1 1 1   -1   11    5 o  1015.40   7.3290  3568.36   51.506  3491.54   71.254  3652.42   74.537  1004.36   10.251  1027.23   10.484 -22.87231 14.66245 
1 1 1   -1   11    6 o  1480.07   10.188  7583.36  104.366  7444.55  117.977  8082.93  223.816  1466.38   11.625  1527.15   21.175 -60.77075 24.15635 
1 1 1   -1   11    7 o   83.820   8.4039   24.568   4.8097   26.162   5.5623   19.844   9.5755   86.410   9.4550   74.207   18.662 12.20270 20.92063 
1 1 1   -1   11    8 o  300.627   9.1543  312.927   19.047  312.927   19.047   0.0000   0.0000  300.627   9.1543  ?   ?  0.000000 9.154257 
1 1 1   -1   11    9 o  228.232   4.6105  180.278   7.2829  177.438   10.293  183.126   10.306  226.415   6.5685  230.016   6.4737 -3.601318 9.222450 
1 1 1   -1   11   10 o  297.233   5.0609  305.762   10.411  328.683   17.603  293.431   12.911  308.148   8.2539  291.170   6.4070 16.97849 10.44873 
1 1 1   -1   11   11 o  1081.33   9.0522  4047.52   67.747  4069.74   83.238  4003.90  116.605  1084.22   11.092  1075.19   15.669 9.030640 19.19821 
1 1 1   -1   11   12 o  531.055   5.0272  976.045   18.478  987.484   26.385  965.037   25.884  534.129   7.1373  528.024   7.0828 6.104736 10.05525 
1 1 1   -1   11   13 o  840.584   6.5161  2445.74   37.909  2519.91   55.159  2379.35   52.188  853.128   9.3417  829.003   9.0958 24.12531 13.03840 
1 1 1   -1   11   14 f  568.359   5.3019  1118.11   20.856  1141.39   29.969  1096.25   29.042  574.185   7.5413  562.718   7.4570 11.46680 10.60559 
1 1 1   -1   11   15 o  767.531   6.1954  2039.49   32.911  2081.95   47.391  1999.94   45.739  775.312   8.8317  759.898   8.6967 15.41388 12.39479 
1 1 1   -1   11   16 o  203.685   6.8780  143.691   9.6962  139.610   16.390  145.888   12.026  200.257   11.878  205.192   8.4684 -4.935715 14.58802 
1 1 1   -1   11   17 o  226.987   6.7185  178.507   10.555  172.978   12.545  191.902   19.527  223.384   8.1144  234.740   12.060 -11.35556 14.53572 
1 1 1   -1   11   18 o  448.608   5.0564  697.071   15.699  698.644   22.215  695.503   22.190  448.909   7.1500  447.898   7.1580 1.010956 10.11734 
1 1 1   -1   11   19 o  293.581   5.2897  298.665   10.748  317.690   15.497  281.030   14.920  302.594   7.3996  284.582   7.5751 18.01172 10.58939 
1 1 1   -1   11   20 o  331.517   5.1840  380.975   11.894  382.101   16.697  379.815   16.949  331.735   7.2723  330.721   7.4045 1.013733 10.37845 
1 1 1   -1   11   21 o  203.062   6.4413  143.183   9.0527  135.512   12.614  151.330   13.000  197.191   9.2424  208.417   9.0120 -11.22694 12.90886 
1 1 1   -1   13    1 o  2088.35   14.007 15096.21  202.459 14950.87  283.270 15247.98  289.472  2078.01   19.696  2098.54   19.930 -20.53320 28.02046 
1 1 1   -1   13    2 o  2100.83   14.090 15277.34  204.870 15334.86  290.964 15220.78  288.510  2104.48   19.976  2096.65   19.882 7.836670 28.18419 
1 1 1   -1   13    3 o  2684.76   20.629 24959.65  383.324 24717.07  656.593 25085.07  472.136  2669.99   35.531  2691.05   25.349 -21.06567 43.64696 
1 1 1   -1   13    4 o  457.970   6.1718  725.858   19.563   0.0000   0.0000  725.858   19.563  ?   ?   457.970   6.1718 0.000000 6.171830 
1 1 1   -1   13    6 f  1505.44   10.347  7846.46  107.807  7758.54  122.824  8141.46  224.994  1496.87   11.856  1532.34   21.215 -35.46838 24.30272 
1 1 1   -1   13    7 o  868.835   7.4926  2613.28   45.056  2613.28   45.056   0.0000   0.0000  868.835   7.4926  ?   ?  0.000000 7.492619 
1 1 1   -1   13    8 o  753.162   5.9096  1963.43   30.805  1981.08   35.678  1911.71   61.066  756.515   6.8140  742.939   11.876 13.57568 13.69198 
1 1 1   -1   13    9 o  117.585   8.1973   48.093   6.6294   39.462   7.7642   71.317   12.735  106.221   10.707  142.913   13.018 -36.69153 16.85587 
1 1 1   -1   13   10 o  690.694   5.6371  1651.08   26.948  1673.42   38.601  1629.83   37.637  695.312   8.0212  686.198   7.9248 9.114014 11.27576 
1 1 1   -1   13   11 o  1322.87   10.679  6058.30   97.774  6024.39  167.803  6075.73  120.306  1318.65   18.386  1324.64   13.122 -5.987183 22.58879 
1 1 1   -1   13   12 o  1126.38   8.1017  4391.77   63.160  4477.98   91.103  4312.00   87.640  1137.21   11.575  1115.95   11.347 21.26208 16.20899 
1 1 1   -1   13   13 o  533.511   5.8264  985.189   21.514  1013.53   27.223  938.049   35.111  541.100   7.2692  520.498   9.7466 20.60181 12.15880 
1 1 1   -1   13   14 o  306.569   5.0712  325.306   10.760  341.936   15.733  310.691   14.749  314.275   7.2329  299.574   7.1135 14.70053 10.14480 
1 1 1   -1   13   15 o  379.517   5.8122  498.636   15.267  534.634   28.627  484.328   18.048  392.800   10.530  374.000   6.9723 18.79965 12.62900 
1 1 1   -1   13   16 o  206.804   7.0233  148.139   10.053  157.805   19.170  144.473   11.806  212.804   13.079  204.190   8.3539 8.613449 15.51939 
1 1 1   -1   13   17 o  117.688   8.8738   48.304   7.1748   55.478   10.117   41.043   10.177  125.839   11.752  107.734   13.978 18.10493 18.26184 
1 1 1   -1   13   18 o  250.687   6.3871  217.804   11.082  227.024   13.359  197.463   19.843  255.862   7.5440  237.930   12.090 17.93166 14.25026 
1 1 1   -1   13   19 f  107.299   9.8632   40.367   7.2427   39.252   10.131   41.531   10.358  105.035   14.309  108.118   14.184 -3.082542 20.14776 
1 1 1   -1   13   20 o  156.074   7.5153   84.605   8.1180   69.378   11.161  101.710   11.829  140.516   11.580  170.586   10.064 -30.07018 15.34169 
1 1 1   -1   13   21 o   47.814   17.995   6.1254   8.0959   9.6293   13.340   4.0822   10.186   60.282   23.001   48.626   19.622 11.65559 30.23301 
1 1 1   -1   15    1 o  1263.06   8.8088  5521.34   77.005  5474.60  107.918  5569.83  109.912  1257.64   12.398  1268.52   12.519 -10.88855 17.61941 
1 1 1   -1   15    2 o  1407.01   9.7033  6851.73   94.491  6787.47  132.275  6918.69  135.030  1400.29   13.648  1413.76   13.800 -13.46619 19.40919 
1 1 1   -1   15    3 f  1736.56   16.662 10440.77  200.260 10390.24  281.319 10492.68  285.139  1731.95   23.469  1740.45   23.671 -8.502441 33.33316 
1 1 1   -1   15    4 o  1673.79   11.399  9697.71  132.048  9375.15  179.865 10074.79  194.477  1645.51   15.793  1705.77   16.473 -60.25562 22.82067 
1 1 1   -1   15    5 o  1103.05   7.8631  4211.38   60.030  4122.97   83.029  4308.22   86.893  1091.31   10.993  1115.55   11.254 -24.23682 15.73210 
1 1 1   -1   15    6 o  1078.59   10.919  4028.51   81.508  4028.51   81.508   0.0000   0.0000  1078.59   10.919  ?   ?  0.000000 10.91862 
1 1 1   -1   15    7 o  942.239   8.0495  3073.72   52.494  3010.16   62.779  3221.46   95.710  932.349   9.7288  964.145   14.343 -31.79694 17.33112 
1 1 1   -1   15    8 o  1214.74   8.5776  5108.40   72.115  5121.86   83.345  5068.29  143.851  1216.26   9.9009  1209.25   17.188 7.009888 19.83545 
1 1 1   -1   15    9 o  837.492   9.0579  2428.03   52.503  2282.44   69.322  2623.90   80.406  811.878   12.337  870.446   13.347 -58.56824 18.17488 
1 1 1   -1   15   10 o  1061.53   7.7005  3900.33   56.576  3890.61   64.996  3930.73  114.928  1060.17   8.8580  1065.33   15.587 -5.152832 17.92833 
1 1 1   -1   15   11 o  573.071   7.3025  1136.70   28.964  1136.70   28.964   0.0000   0.0000  573.071   7.3025  ?   ?  0.000000 7.302451 
1 1 1   -1   15   12 o  786.465   7.2048  2140.97   39.217  2157.52   48.022  2107.80   67.955  789.454   8.7889  780.159   12.585 9.295288 15.35025 
1 1 1   -1   15   13 o  589.227   5.3200  1201.68   21.696  1235.27   31.316  1170.67   30.085  597.354   7.5746  581.526   7.4749 15.82813 10.64183 
1 1 1   -1   15   14 o  275.787   5.2167  263.265   9.9575  262.322   14.232  264.168   13.937  275.260   7.4705  276.230   7.2897 -0.9697571 10.43781 
1 1 1   -1   15   15 o  847.069   7.5693  2484.87   44.376  2631.71   80.320  2420.35   53.240  871.067   13.323  835.854   9.2030 35.21307 16.19236 
1 1 1   -1   15   16 o  583.093   7.8703  1178.04   31.762  1177.56   44.669  1178.54   45.171  582.619   11.078  582.845   11.198 -0.2257690 15.75127 
1 1 1   -1   15   17 o  568.063   5.3451  1117.61   21.015  1112.32   29.599  1123.00   29.842  566.487   7.5493  569.197   7.5751 -2.709839 10.69461 
1 1 1   -1   15   18 o  212.870   6.5039  157.066   9.5822  169.144   12.060  136.390   15.780  220.818   7.8913  197.682   11.584 23.13618 14.01640 
1 1 1   -1   15   19 f  107.122   9.8922   40.244   7.2513   41.510   10.049   38.868   10.474  108.161   13.733  104.368   14.925 3.793518 20.28209 
1 1 1   -1   15   20 o  191.396   6.4953  127.128   8.6042  116.890   11.986  138.011   12.358  182.992   9.4967  199.166   8.9655 -16.17413 13.06018 
1 1 1   -1   15   21 o  140.798   8.0257   69.213   7.7885   72.946   10.720   65.040   11.334  144.047   10.832  135.678   12.201 8.369263 16.31537 
1 1 1   -1   17    1 o  1463.09   11.620  7409.47  117.671  7338.57  142.571  7560.98  208.408  1456.00   14.148  1477.64   20.378 -21.63892 24.80806 
1 1 1   -1   17    2 o  601.568   5.7968  1252.40   24.135  1216.10   40.495  1272.40   30.057  592.753   9.8708  606.343   7.1622 -13.59045 12.19552 
1 1 1   -1   17    3 o  1278.97   8.9230  5661.56   78.985  5613.45  110.707  5711.44  112.725  1273.42   12.561  1284.48   12.680 -11.06238 17.84824 
1 1 1   -1   17    4 o  1184.92   8.3660  4859.65   68.609  4653.66   92.722  5108.91  101.995  1159.43   11.555  1214.80   12.131 -55.36597 16.75338 
1 1 1   -1   17    5 o  831.774   6.2816  2394.60   36.162  2312.81   49.487  2488.32   52.972  817.379   8.7476  847.817   9.0275 -30.43805 12.57043 
1 1 1   -1   17    6 o  472.967   4.5195  774.224   14.794  745.496   20.413  806.007   21.472  464.079   6.3554  482.544   6.4291 -18.46524 9.040218 
1 1 1   -1   17    7 o  594.697   5.0907  1224.08   20.953  1235.23   24.076  1189.27   42.542  597.384   5.8230  586.021   10.489 11.36298 11.99674 
1 1 1   -1   17    8 o  744.164   6.8460  1916.82   35.260  1973.72   43.921  1813.66   59.136  755.087   8.4043  723.703   11.806 31.38342 14.49212 
1 1 1   -1   17    9 o  811.588   7.2769  2279.85   40.875  2324.64   50.588  2195.61   69.375  819.481   8.9194  796.294   12.588 23.18652 15.42763 
1 1 1   -1   17   10 o  873.199   7.7132  2639.13   46.615  2681.68   57.621  2558.54   79.301  880.166   9.4589  859.592   13.329 20.57367 16.34447 
1 1 1   -1   17   11 o  470.647   5.6361  766.636   18.359  763.210   21.942  774.634   33.524  469.582   6.7512  473.031   10.240 -3.448914 12.26516 
1 1 1   -1   17   12 o  724.649   12.208  1818.54   61.226   0.0000   0.0000  1818.54   61.226  ?   ?   724.649   12.208 0.000000 12.20754 
1 1 1   -1   17   13 o  706.096   6.8109  1725.86   33.285  1779.39   41.312  1626.83   56.191  716.909   8.3260  685.328   11.847 31.58093 14.47978 
1 1 1   -1   17   14 o  417.004   5.8597  601.951   16.912  600.789   20.546  604.390   29.781  416.570   7.1264  417.713   10.301 -1.142517 12.52585 
1 1 1   -1   17   15 o  539.652   7.6712  1008.64   28.652  1016.10   40.927  1001.46   40.125  541.415   10.922  537.513   10.786 3.901855 15.35002 
1 1 1   -1   17   16 o  476.141   5.0708  784.978   16.710  775.609   23.466  794.616   23.802  473.161   7.1658  478.922   7.1806 -5.761292 10.14443 
1 1 1   -1   17   17 o  223.670   5.5311  173.285   8.5624  163.061   11.875  184.355   12.358  216.868   7.9116  230.603   7.7426 -13.73482 11.06989 
1 1 1   -1   17   18 o  240.434   5.4568  200.290   9.0805  202.287   12.812  198.275   12.872  241.488   7.6654  239.073   7.7793 2.415115 10.92136 
1 1 1   -1   17   19 o   52.016   17.962   8.6601   7.8575   7.3027   9.0760   12.722   15.700   51.497   19.117   67.369   25.116 -15.87196 31.56400 
1 1 1   -1   17   20 o   88.400   12.223   27.825   7.2783   27.358   10.178   28.313   10.412   86.494   17.601   88.002   17.708 -1.508133 24.96735 
1 1 1   -1   17   21 o  176.816   6.6642  108.632   8.1554  114.444   11.330  102.384   11.748  181.175   9.0357  170.941   9.9733 10.23332 13.45770 
1 1 1   -1   19    1 o  1222.96   8.5895  5176.50   72.704  5058.04  100.360  5307.32  105.468  1208.80   11.996  1238.22   12.307 -29.42029 17.18590 
1 1 1   -1   19    2 o  769.274   6.8693  2048.12   36.574  2010.24   43.930  2133.66   66.023  762.110   8.3285  785.089   12.151 -22.97833 14.73104 
1 1 1   -1   19    4 o  996.396   7.2438  3436.37   49.955  3347.67   68.784  3535.38   72.669  983.356   10.107  1010.54   10.390 -27.18243 14.49464 
1 1 1   -1   19    5 o  981.974   8.2419  3338.26   56.015  3237.99   66.788  3576.10  102.859  967.024   9.9789  1015.92   14.629 -48.89423 17.70811 
1 1 1   -1   19    6 o  194.283   4.2570  130.639   5.7242  128.540   7.9282  132.924   8.2733  192.705   5.9444  195.962   6.1000 -3.257401 8.517352 
1 1 1   -1   19    7 o  857.437   6.4738  2544.79   38.418  2585.32   55.099  2506.44   53.596  864.136   9.2127  850.856   9.1012 13.27997 12.95007 
1 1 1   -1   19    8 o  595.815   5.1324  1228.62   21.164  1245.12   24.374  1178.05   42.672  599.792   5.8714  583.316   10.570 16.47589 12.09091 
1 1 1   -1   19    9 o  1581.89   10.864  8663.28  118.943  8743.25  138.538  8439.02  231.992  1589.06   12.597  1560.34   21.482 28.72559 24.90288 
1 1 1   -1   19   10 o  800.921   6.2278  2220.16   34.522  2225.36   39.665  2203.90   70.104  801.843   7.1473  797.818   12.696 4.024597 14.56944 
1 1 1   -1   19   11 o  666.017   7.8724  1535.42   36.289  1535.42   36.289   0.0000   0.0000  666.017   7.8724  ?   ?  0.000000 7.872412 
1 1 1   -1   19   12 o  638.817   7.7896  1412.67   34.440  1412.67   34.440   0.0000   0.0000  638.817   7.7896  ?   ?  0.000000 7.789586 
1 1 1   -1   19   13 o  372.403   4.9838  480.009   12.845  472.625   14.478  507.317   27.844  369.518   5.6611  382.735   10.511 -13.21646 11.93883 
1 1 1   -1   19   14 o  175.789   6.9025  106.988   8.3980  106.314   9.5822  109.219   17.439  175.222   7.9013  176.893   14.368 -1.671539 16.39749 
1 1 1   -1   19   15 o  637.946   5.7062  1409.08   25.195  1421.53   29.138  1372.19   50.155  640.705   6.5709  629.051   11.520 11.65454 13.26230 
1 1 1   -1   19   16 o   80.793   13.784   23.317   7.4309   27.649   8.3753   7.2927   16.108   88.078   14.224   62.574   24.869 25.50442 28.64965 
1 1 1   -1   19   17 o  214.221   10.266  159.338   15.220  159.338   15.220   0.0000   0.0000  214.221   10.266  ?   ?  0.000000 10.26556 
1 1 1   -1   19   18 o  154.647   7.9733   83.204   8.5050   83.037   9.8168   83.707   17.031  154.352   9.2316  153.843   16.240 0.5084229 18.68075 
1 1 1   -1   19   19 o  243.115   7.1581  205.122   12.044  207.744   14.909  200.195   20.435  244.484   8.8111  239.186   12.387 5.298965 15.20094 
1 1 1   -1   19   20 o  157.378   8.6309   86.428   9.3652   80.413   10.874  103.707   18.429  151.488   10.435  170.894   15.759 -19.40636 18.90040 
1 1 1   -1   19   21 o   80.795   14.468   23.702   7.7935   24.862   8.8342   19.634   16.551   82.411   16.066   75.474   26.068 6.937462 30.62101 
1 1 1   -1   21    1 o  1735.26   13.620 10425.30  163.581  9936.58  268.438 10713.99  206.313  1693.33   22.905  1758.88   16.948 -65.54785 28.49305 
1 1 1   -1   21    2 o  683.842   5.4995  1618.45   26.029  1595.66   36.318  1642.52   37.324  678.979   7.7284  688.876   7.8283 -9.896729 11.00046 
1 1 1   -1   21    3 o  481.412   4.5795  802.080   15.258  740.121   20.428  880.269   22.948  462.425   6.3828  504.308   6.5747 -41.88254 9.163317 
1 1 1   -1   21    4 o  1465.07   10.116  7432.08  102.573  7103.44  138.055  7837.05  153.251  1431.95   13.930  1503.98   14.723 -72.03149 20.26809 
1 1 1   -1   21    5 o  468.777   4.5259  760.574   14.684  763.721   20.726  757.402   20.807  469.714   6.3753  467.766   6.4270 1.948273 9.052716 
1 1 1   -1   21    6 o  587.927   5.0694  1196.36   20.628  1185.53   28.967  1207.50   29.382  585.214   7.1516  590.611   7.1879 -5.396912 10.13965 
1 1 1   -1   21    7 o  512.656   5.4010  909.619   19.164  972.683   33.385  878.628   23.403  530.062   9.1001  503.828   6.7115 26.23376 11.30736 
1 1 1   -1   21    8 o  500.383   4.7302  866.543   16.382  868.457   18.625  860.000   34.433  500.929   5.3720  498.416   9.9816 2.513031 11.33541 
1 1 1   -1   21    9 o  1250.97   8.8165  5416.93   76.334  5378.78   87.247  5541.46  157.626  1246.50   10.113  1264.74   18.007 -18.23682 20.65275 
1 1 1   -1   21   10 o  803.060   6.2401  2232.04   34.683  2245.86   39.951  2189.76   69.880  805.525   7.1660  795.246   12.696 10.27917 14.57894 
1 1 1   -1   21   11 o  790.567   12.713  2164.39   69.559   0.0000   0.0000  2164.39   69.559  ?   ?   790.567   12.713 0.000000 12.71266 
1 1 1   -1   21   12 o  406.652   5.6297  572.365   15.845  567.391   18.731  584.878   29.710  404.866   6.6844  410.981   10.445 -6.115082 12.40073 
1 1 1   -1   21   13 o  549.914   5.9679  1046.78   22.714  1061.24   27.350  1014.63   40.775  553.667   7.1373  541.234   10.885 12.43335 13.01648 
1 1 1   -1   21   14 o  594.255   7.9498  1222.92   32.697  1259.02   47.440  1190.24   45.128  602.744   11.372  586.067   11.125 16.67712 15.90903 
1 1 1   -1   21   15 o  148.978   7.6433   77.084   7.8544   83.580   8.9014   54.244   16.692  155.094   8.3229  123.177   20.286 31.91686 21.92698 
1 1 1   -1   21   16 o  229.073   6.8062  181.800   10.791  181.800   10.791   0.0000   0.0000  229.073   6.8062  ?   ?  0.000000 6.806173 
1 1 1   -1   21   17 o  103.577   10.491   37.642   7.4172   43.141   8.4368   18.927   15.564  110.869   11.146   75.346   25.293 35.52336 27.64018 
1 1 1   -1   21   18 o   72.801   19.749   19.277   10.203   8.0288   13.249   35.673   15.995   58.854   22.801   98.381   23.759 -39.52663 32.92973 
1 1 1   -1   21   19 o  163.257   7.6708   92.552   8.6674   92.465   9.9356   92.829   17.729  162.850   8.8484  161.808   16.043 1.042404 18.32100 
1 1 1   -1   21   20 o  104.394   11.039   38.475   7.8551   35.675   8.9935   47.483   16.130  100.016   13.324  113.512   21.314 -13.49550 25.13604 
1 1 1   -1   21   21 o  181.749   7.4084  114.952   9.3191  105.074   10.758  144.634   18.650  173.309   9.0002  202.175   13.404 -28.86610 16.14552 
1 1 1   -1   23    1 o  235.705   4.2402  192.273   6.9172  183.672   9.5801  201.642   9.9981  230.364   6.0087  241.370   5.9849 -11.00627 8.480751 
1 1 1   -1   23    2 o  1247.75   8.7696  5389.64   75.733  5158.07  102.173  5672.00  112.822  1220.45   12.096  1279.76   12.738 -59.30859 17.56580 
1 1 1   -1   23    3 o  430.454   5.1566  641.311   15.363  657.016   18.707  608.781   26.923  435.678   6.2038  419.322   9.2768 16.35593 11.16008 
1 1 1   -1   23    4 o  389.893   4.3250  526.130   11.671  517.179   16.214  535.757   16.814  386.539   6.0605  393.418   6.1749 -6.879517 8.652128 
1 1 1   -1   23    5 o  918.925   6.8217  2923.05   43.386  2914.39   61.155  2931.83   61.561  917.427   9.6312  920.165   9.6663 -2.738220 13.64546 
1 1 1   -1   23    6 o  848.989   6.4475  2494.84   37.885  2459.80   52.884  2531.78   54.300  842.918   9.0648  855.158   9.1743 -12.24005 12.89723 
1 1 1   -1   23    7 o  513.907   6.7358  914.111   23.958  914.111   23.958   0.0000   0.0000  513.907   6.7358  ?   ?  0.000000 6.735799 
1 1 1   -1   23    8 o  312.801   4.3119  338.618   9.3349  324.489   12.878  354.265   13.551  306.195   6.0766  319.935   6.1199 -13.74030 8.624228 
1 1 1   -1   23    9 o  525.396   10.481  955.610   38.112   0.0000   0.0000  955.610   38.112  ?   ?   525.396   10.481 0.000000 10.48092 
1 1 1   -1   23   10 o  569.930   7.1898  1124.28   28.361  1124.28   28.361   0.0000   0.0000  569.930   7.1898  ?   ?  0.000000 7.189799 
1 1 1   -1   23   11 o  679.188   5.6517  1596.59   26.567  1610.62   30.516  1552.68   53.997  682.148   6.4636  669.614   11.651 12.53448 13.32391 
1 1 1   -1   23   12 o  464.092   10.436  745.854   33.520   0.0000   0.0000  745.854   33.520  ?   ?   464.092   10.436 0.000000 10.43561 
1 1 1   -1   23   13 o  368.099   5.4801  469.016   13.961  469.016   13.961   0.0000   0.0000  368.099   5.4801  ?   ?  0.000000 5.480064 
1 1 1   -1   23   14 o  817.839   6.4524  2315.85   36.523  2342.19   42.323  2239.02   72.286  822.405   7.4355  803.512   12.998 18.89313 14.97465 
1 1 1   -1   23   15 o  391.553   5.7152  530.887   15.488  536.284   18.566  518.537   28.086  393.486   6.8174  386.684   10.494 6.802399 12.51433 
1 1 1   -1   23   16 o   91.740   11.324   29.664   7.0375   24.767   7.8598   49.463   15.804   83.237   14.150  117.305   20.194 -34.06765 24.65825 
1 1 1   -1   23   17 o  220.129   6.0560  167.911   9.2266  169.193   10.412  163.219   19.911  220.930   6.8093  216.072   13.380 4.857849 15.01283 
1 1 1   -1   23   18 o   50.914   18.023   7.9486   7.9406   12.847   9.2576  -5.6878   15.446   60.957   19.451   49.676   22.150 11.28109 29.47838 
1 1 1   -1   23   19 f  111.571   13.736   44.212   10.383   49.457   13.349   36.180   16.519  117.373   16.921   98.567   24.356 18.80568 29.65693 
1 1 1   -1   23   20 o  133.343   8.9472   62.197   8.2093   60.510   9.3355   67.951   17.241  131.273   10.359  137.084   18.657 -5.811188 21.33974 
1 1 1   -1   25    1 o  806.789   7.1841  2253.21   40.115  2136.10   66.341  2320.72   50.366  785.312   12.206  818.718   8.8885 -33.40552 15.09917 
1 1 1   -1   25    2 o  589.042   5.1002  1200.92   20.793  1184.29   29.010  1218.48   29.817  584.902   7.1662  593.283   7.2616 -8.381531 10.20224 
1 1 1   -1   25    3 o  673.496   6.3270  1570.13   29.493  1523.37   35.358  1677.07   53.470  663.347   7.7013  695.857   11.102 -32.51001 13.51180 
1 1 1   -1   25    4 o  702.757   6.5835  1709.53   32.021  1678.71   38.351  1780.49   58.188  696.348   7.9574  716.978   11.726 -20.63013 14.17109 
1 1 1   -1   25    5 f  851.854   6.4645  2511.73   38.113  2494.39   53.574  2529.50   54.234  848.816   9.1193  854.768   9.1673 -5.952637 12.93062 
1 1 1   -1   25    6 o  844.732   6.4377  2469.81   37.638  2423.17   52.349  2519.73   54.154  836.643   9.0404  853.145   9.1713 -16.50195 12.87798 
1 1 1   -1   25    7 o  690.700   5.6253  1651.11   26.892  1636.12   37.727  1666.60   38.341  687.517   7.9285  693.890   7.9836 -6.372925 11.25162 
1 1 1   -1   25    8 o  687.216   5.6103  1634.48   26.684  1631.03   37.567  1637.99   37.909  686.455   7.9071  687.918   7.9622 -1.463318 11.22136 
1 1 1   -1   25    9 o  181.316   6.4680  113.784   8.1168  113.784   8.1168   0.0000   0.0000  181.316   6.4680  ?   ?  0.000000 6.468048 
1 1 1   -1   25   10 o  487.543   5.6568  822.681   19.088  820.722   22.768  827.317   35.020  486.948   6.7555  488.838   10.351 -1.889526 12.36017 
1 1 1   -1   25   11 o  517.142   4.9594  925.602   17.751  920.865   19.972  943.415   38.729  515.808   5.5944  521.967   10.720 -6.159241 12.09236 
1 1 1   -1   25   12 o  393.976   5.5977  537.255   15.264  544.399   18.077  519.512   28.489  396.570   6.5861  387.306   10.628 9.263947 12.50320 
1 1 1   -1   25   13 o  571.465   6.0118  1130.51   23.778  1115.00   28.039  1170.24   44.870  567.490   7.1388  581.175   11.155 -13.68549 13.24367 
1 1 1   -1   25   14 o  153.793   6.7857   81.905   7.2229   88.370   7.9430   51.024   17.361  159.741   7.1844  119.176   21.853 40.56413 23.00325 
1 1 1   -1   25   15 o  194.591   6.7937  131.166   9.1496  131.166   9.1496   0.0000   0.0000  194.591   6.7937  ?   ?  0.000000 6.793656 
1 1 1   -1   25   16 o  433.656   5.0552  651.270   15.173  651.140   17.286  651.707   31.664  433.564   5.7607  433.259   10.559 0.3055420 12.02852 
1 1 1   -1   25   17 o   66.668   15.371   16.136   6.9472   11.032   7.7266   37.678   15.872   56.435   17.744  101.346   23.138 -44.91046 29.15802 
1 1 1   -1   25   18 o   97.839   11.309   33.777   7.5168   31.732   8.4777   41.293   16.255   94.427   13.344  105.913   22.846 -11.48667 26.45746 
1 1 1   -1   25   19 o  113.008   9.9931   44.824   7.7355   38.172   8.6229   72.244   17.507  103.823   12.235  141.859   18.255 -38.03584 21.97572 
1 1 1   -1   25   20 o  196.256   6.7604  133.805   9.1827  140.242   10.448  111.951   19.250  200.830   7.5168  177.322   15.853 23.50763 17.54455 
1 1 1   -1   27    1 o  1030.72   7.4971  3677.82   53.482  3557.21   73.138  3816.43   78.407  1013.49   10.427  1049.74   10.792 -36.25092 15.00590 
1 1 1   -1   27    2 o  741.590   5.8838  1903.59   30.199  1862.84   41.838  1947.92   43.635  733.529   8.2410  750.086   8.4052 -16.55707 11.77123 
1 1 1   -1   27    3 o  642.554   5.3845  1429.03   23.946  1369.41   32.662  1498.31   35.211  628.956   7.5032  657.885   7.7330 -28.92883 10.77483 
1 1 1   -1   27    4 o  920.268   6.8618  2931.44   43.705  2872.75   60.595  2995.07   63.097  910.902   9.6115  930.085   9.8018 -19.18311 13.72795 
1 1 1   -1   27    5 o  127.189   8.0273   56.221   7.0302   54.537   8.3586   60.293   12.997  125.133   9.7277  131.128   14.567 -5.995033 17.51623 
1 1 1   -1   27    6 o  508.336   4.7935  894.309   16.865  876.583   23.573  912.895   24.138  503.251   6.7679  513.569   6.7908 -10.31720 9.587470 
1 1 1   -1   27    7 o  1128.73   8.0849  4409.83   63.160  4326.73   87.605  4499.78   91.142  1117.92   11.322  1140.05   11.551 -22.12708 16.17473 
1 1 1   -1   27    8 o  1182.61   8.4313  4840.95   69.010  4637.88   93.235  5087.01  102.630  1157.41   11.639  1212.13   12.233 -54.71887 16.88553 
1 1 1   -1   27    9 o  1035.92   7.5742  3714.43   54.305  3623.82   74.887  3814.92   78.865  1023.10   10.576  1049.72   10.855 -26.61731 15.15509 
1 1 1   -1   27   10 o  388.567   5.4036  522.562   14.532  509.990   16.768  560.488   29.125  383.854   6.3117  402.344   10.459 -18.48947 12.21596 
1 1 1   -1   27   11 o  423.136   10.450  620.000   30.605   0.0000   0.0000  620.000   30.605  ?   ?   423.136   10.450 0.000000 10.45045 
1 1 1   -1   27   12 o  529.037   5.0489  968.734   18.487  979.535   21.043  932.195   38.702  531.963   5.7153  518.781   10.779 13.18182 12.20042 
1 1 1   -1   27   13 o  220.430   6.7856  168.231   10.352  157.087   12.233  196.341   19.429  212.977   8.2992  238.012   11.794 -25.03572 14.42173 
1 1 1   -1   27   14 o  401.079   4.8719  556.902   13.524  569.828   15.266  509.756   29.155  405.687   5.4369  383.416   10.987 22.27106 12.25842 
1 1 1   -1   27   15 o  127.170   7.7568   56.252   6.7945   53.139   7.4246   72.293   16.854  123.499   8.7428  142.995   17.388 -19.49631 19.46185 
1 1 1   -1   27   16 o  140.249   7.3649   68.373   7.1240   68.443   7.8490   68.049   16.971  140.254   8.1205  138.359   18.161 1.895004 19.89418 
1 1 1   -1   27   17 f  410.983   5.0841  585.143   14.461  586.222   16.446  581.463   30.366  411.297   5.7775  408.929   10.729 2.367950 12.18563 
1 1 1   -1   27   19 o   55.802   16.956   11.063   7.1273   13.871   7.8516  -2.0849   16.989   61.838   17.537   54.763   23.866 7.074612 29.61638 
1 1 1   -1   27   20 o   45.722   17.650   5.0161   7.9172   5.0161   7.9172   0.0000   0.0000   45.722   17.650  ?   ?  0.000000 17.65025 
1 1 1   -1   29    1 o  327.560   4.4374  371.344   10.060  375.113   14.155  367.497   14.300  329.200   6.2124  325.840   6.3411 3.360565 8.877133 
1 1 1   -1   29    2 o  904.596   9.6039  2833.13   60.128   0.0000   0.0000  2833.13   60.128  ?   ?   904.596   9.6039 0.000000 9.603855 
1 1 1   -1   29    3 o  205.159   4.8332  145.672   6.8628  168.975   9.7556  122.842   9.6560  220.951   6.3794  188.384   7.4059 32.56729 9.774681 
1 1 1   -1   29    4 f  1309.96   9.1798  5940.46   83.228  5898.06  116.817  5984.16  118.607  1305.05   12.933  1314.53   13.037 -9.482666 18.36351 
1 1 1   -1   29    5 o  852.440   6.4915  2515.04   38.299  2434.61   52.576  2605.97   55.902  838.635   9.0581  867.640   9.3091 -29.00507 12.98881 
1 1 1   -1   29    6 o  653.082   7.7075  1476.29   34.838  1476.29   34.838   0.0000   0.0000  653.082   7.7075  ?   ?  0.000000 7.707493 
1 1 1   -1   29    7 o  277.836   4.4169  267.148   8.4934  264.379   11.858  270.064   12.171  276.384   6.1992  279.339   6.2951 -2.954865 8.835059 
1 1 1   -1   29    8 o  1258.00   10.239  5478.59   89.149  5277.64  105.209  5990.24  167.877  1234.61   12.312  1314.89   18.447 -80.27771 22.17849 
1 1 1   -1   29    9 o  1506.52   10.430  7857.72  108.747  7779.16  152.034  7940.02  155.612  1498.63   14.658  1514.03   14.850 -15.39722 20.86572 
1 1 1   -1   29   10 o  575.030   6.0655  1144.49   24.140  1128.06   28.634  1184.88   44.882  570.862   7.2473  584.953   11.086 -14.09113 13.24473 
1 1 1   -1   29   11 o  630.966   5.4208  1377.98   23.673  1372.79   26.775  1396.58   50.663  629.758   6.1431  634.991   11.528 -5.232666 13.06251 
1 1 1   -1   29   12 o  968.961   7.2041  3250.57   48.313  3283.02   55.892  3154.63   96.088  973.714   8.2935  953.881   14.554 19.83295 16.75157 
1 1 1   -1   29   13 o  518.644   5.0071  931.167   17.973  923.250   20.153  961.951   39.738  516.412   5.6385  526.826   10.898 -10.41449 12.27044 
1 1 1   -1   29   14 o  424.377   5.9003  623.649   17.330  652.662   21.040  562.439   30.561  434.077   7.0034  402.684   10.965 31.39304 13.01097 
1 1 1   -1   29   15 o   55.837   14.756   11.238   5.7883   10.953   6.2173   13.093   15.858   55.345   15.574   68.547   25.304 -13.20267 29.71277 
1 1 1   -1   29   16 o  120.908   8.8620   50.997   7.3643   54.028   8.2426   39.005   16.395  124.379   9.6506  103.194   23.483 21.18468 25.38861 
1 1 1   -1   29   17 o  360.919   5.7582  451.455   14.384  451.526   16.917  451.268   27.328  360.844   6.7736  360.141   10.964 0.7038269 12.88736 
1 1 1   -1   29   18 o   58.690   15.985   12.489   6.6687   10.984   7.2349   20.995   17.196   55.802   17.109   78.577   26.585 -22.77419 31.61459 
1 1 1   -1   29   19 o  238.855   6.4274  198.035   10.625  198.035   10.625   0.0000   0.0000  238.855   6.4274  ?   ?  0.000000 6.427406 
1 1 1   -1   29   20 o  122.442   9.0851   52.580   7.6442   56.127   8.4677   36.961   17.770  126.401   9.7546   98.399   25.782 28.00248 27.56585 
1 1 1   -1   31    1 o  940.941   8.0804  3064.77   52.623  2994.09   63.035  3227.32   95.587  929.963   9.7935  965.268   14.308 -35.30536 17.33852 
1 1 1   -1   31    2 o  241.999   4.7847  202.684   8.0139  208.408   11.237  196.760   11.432  245.382   6.6168  238.424   6.9277 6.957947 9.579954 
1 1 1   -1   31    3 f  358.266   9.5811  444.341   23.757  444.341   23.757   0.0000   0.0000  358.266   9.5811  ?   ?  0.000000 9.581053 
1 1 1   -1   31    4 o  926.952   6.9245  2973.98   44.425  2932.46   62.023  3017.72   63.661  920.378   9.7366  933.659   9.8516 -13.28094 13.85120 
1 1 1   -1   31    5 o  521.018   4.9209  939.482   17.745  910.101   24.551  971.618   25.677  512.786   6.9176  529.832   7.0021 -17.04614 9.842876 
1 1 1   -1   31    6 f  1199.21   9.8691  4978.23   81.912  4905.77   98.429  5141.46  147.728  1190.36   11.947  1218.30   17.520 -27.93530 21.20572 
1 1 1   -1   31    7 o  1027.81   8.6440  3656.67   61.490  3495.11   72.266  4080.49  117.046  1004.79   10.392  1085.44   15.580 -80.64050 18.72774 
1 1 1   -1   31    8 o  292.091   4.5327  295.270   9.1633  310.663   12.708  278.601   13.225  299.598   6.1287  283.713   6.7350 15.88525 9.106121 
1 1 1   -1   31    9 o  1253.53   8.8738  5439.81   76.988  5338.29  106.711  5550.01  111.181  1241.55   12.418  1265.91   12.690 -24.36096 17.75513 
1 1 1   -1   31   10 o  379.482   8.0286  498.537   21.087  498.537   21.087   0.0000   0.0000  379.482   8.0286  ?   ?  0.000000 8.028581 
1 1 1   -1   31   11 o  574.677   7.9618  1143.42   31.667  1143.42   44.785  1143.42   44.785  574.539   11.262  574.539   11.262 0.000000 15.92748 
1 1 1   -1   31   12 o  335.280   4.5343  389.096   10.522  384.421   11.493  413.317   26.160  333.253   4.9827  345.380   10.944 -12.12756 12.02448 
1 1 1   -1   31   13 o  263.399   5.0359  240.184   9.1805  240.184   9.1805   0.0000   0.0000  263.399   5.0359  ?   ?  0.000000 5.035888 
1 1 1   -1   31   14 o  196.396   5.2380  133.559   7.1199  139.058   7.7189  102.195   18.434  200.391   5.5655  170.669   15.785 29.72264 16.73722 
1 1 1   -1   31   15 o  311.421   6.0078  335.968   12.949  343.295   15.546  319.366   23.402  314.731   7.1368  303.242   11.150 11.48917 13.23865 
1 1 1   -1   31   16 o  246.385   5.6855  210.332   9.6952  209.038   11.030  214.732   20.334  245.580   6.4892  248.445   11.825 -2.864227 13.48867 
1 1 1   -1   31   17 o  267.512   5.2515  247.980   9.7231  244.568   10.726  263.707   23.030  265.624   5.8344  275.071   12.097 -9.447083 13.43036 
1 1 1   -1   31   18 o  118.204   9.3474   48.913   7.5847   46.556   8.3302   60.341   18.343  115.113   10.574  128.669   21.346 -13.55560 23.82161 
1 1 1   -1   31   19 o   86.627   11.777   26.720   6.8782   26.833   7.4190   26.029   18.353   86.608   12.759   84.843   27.421 1.765335 30.24391 
1 1 1   -1   33    1 o  626.410   5.3863  1358.04   23.352  1322.81   32.275  1396.75   33.829  618.199   7.5432  635.238   7.6945 -17.03931 10.77522 
1 1 1   -1   33    2 o  1068.13   7.7520  3949.02   57.308  3813.20   78.227  4106.35   84.191  1049.49   10.770  1089.07   11.170 -39.57788 15.51591 
1 1 1   -1   33    3 o  1101.62   9.1599  4200.86   69.839  4018.05  115.320  4306.75   87.764  1077.09   15.469  1115.33   11.369 -38.23706 19.19805 
1 1 1   -1   33    4 o  1126.68   11.459  4394.79   89.353   0.0000   0.0000  4394.79   89.353  ?   ?   1126.68   11.459 0.000000 11.45864 
1 1 1   -1   33    5 o  702.270   5.7629  1706.87   28.011  1638.43   38.193  1786.54   41.204  688.011   8.0207  718.430   8.2866 -30.41827 11.53254 
1 1 1   -1   33    6 f  535.966   5.0054  994.165   18.567  1000.63   26.196  987.640   26.321  537.684   7.0392  534.182   7.1194 3.502136 10.01178 
1 1 1   -1   33    7 o  1519.13   12.136  7990.62  127.600  7807.00  151.979  8429.27  234.899  1501.39   14.626  1559.31   21.766 -57.92236 26.22305 
1 1 1   -1   33    8 o  1003.57   7.3968  3486.22   51.377  3321.07   69.167  3689.49   76.737  979.406   10.204  1032.28   10.741 -52.86914 14.81484 
1 1 1   -1   33    9 o  727.823   6.7208  1833.61   33.855  1807.32   56.268  1848.54   42.386  722.422   11.254  730.728   8.3808 -8.306030 14.03146 
1 1 1   -1   33   10 o  763.613   6.1058  2018.39   32.269  2004.32   45.131  2033.10   46.158  760.854   8.5703  766.292   8.7031 -5.438721 12.21451 
1 1 1   -1   33   11 o  448.452   4.7077  696.088   14.612  701.294   16.364  675.610   32.455  450.115   5.2527  441.630   10.618 8.485352 11.84625 
1 1 1   -1   33   12 o  134.537   5.5640   62.662   5.1809   63.185   5.4426   57.610   16.911  135.095   5.8209  127.216   19.855 7.879288 20.69031 
1 1 1   -1   33   13 o  297.014   4.4861  305.394   9.2220  305.935   10.058  302.537   23.103  297.267   4.8886  295.333   11.303 1.934204 12.31461 
1 1 1   -1   33   14 o  199.026   5.0032  137.162   6.8919  139.290   7.4170  123.707   18.648  200.555   5.3434  188.046   14.439 12.51006 15.39571 
1 1 1   -1   33   15 o   81.214   10.198   23.258   5.6060   24.004   5.9925   18.029   15.866   82.442   10.759   74.467   25.535 7.974510 27.70877 
1 1 1   -1   33   16 o  238.786   6.5729  197.670   10.863  205.987   12.875  177.122   20.237  243.682   7.6338  225.075   13.047 18.60713 15.11626 
1 1 1   -1   33   17 o  263.657   5.0609  240.887   9.2352  239.941   10.136  245.512   22.413  263.102   5.5661  265.313   12.206 -2.211182 13.41480 
1 1 1   -1   33   18 o   64.698   14.721   15.268   6.4432   15.268   6.4432   0.0000   0.0000   64.698   14.721  ?   ?  0.000000 14.72059 
1 1 1   -1   33   19 o   75.083   13.969   20.445   6.9921   21.756   7.5915   13.112   17.953   77.349   14.718   69.537   26.647 7.812706 30.44146 
1 1 1   -1   35    1 f  1817.37   12.371 11435.48  155.607 10899.92  208.471 12109.25  233.830  1773.91   16.980  1869.61   18.071 -95.69971 24.79649 
1 1 1   -1   35    2 o  531.106   5.0493  976.216   18.561  933.396   25.369  1025.53   27.226  519.307   7.0584  544.332   7.2267 -25.02521 10.10185 
1 1 1   -1   35    3 o  534.223   5.7781  987.733   21.364  988.205   26.360  986.829   36.471  534.336   7.1277  533.924   9.8695 0.4119873 12.17424 
1 1 1   -1   35    4 o  1979.91   13.395 13573.44  183.560 13204.75  251.619 13992.86  268.376  1952.31   18.622  2009.64   19.295 -57.33313 26.81544 
1 1 1   -1   35    5 o  327.159   4.6694  370.422   10.573  374.031   14.797  366.657   15.112  328.737   6.5037  325.479   6.7086 3.258057 9.343657 
1 1 1   -1   35    6 o  743.219   6.8419  1911.86   35.194  1846.58   42.138  2062.44   63.997  730.389   8.3356  771.791   11.981 -41.40265 14.59528 
1 1 1   -1   35    7 o  1209.55   8.6257  5064.49   72.209  4792.78   96.260  5414.16  109.199  1176.48   11.822  1250.37   12.618 -73.88831 17.29091 
1 1 1   -1   35    8 o  118.633   7.3461   48.905   6.0020   61.872   7.8867   31.058   9.2522  133.411   8.5870   93.543   14.782 39.86847 17.09505 
1 1 1   -1   35    9 o  786.698   6.2142  2142.25   33.835  2101.93   46.925  2185.91   48.833  779.168   8.7015  794.573   8.8798 -15.40521 12.43253 
1 1 1   -1   35   10 o  428.548   5.7626  635.713   17.092  611.219   31.009  646.402   20.485  420.078   10.665  432.113   6.8495 -12.03473 12.67548 
1 1 1   -1   35   11 o  264.616   4.8090  242.373   8.8073  224.178   11.449  268.753   13.785  254.463   6.5006  278.602   7.1490 -24.13911 9.662610 
1 1 1   -1   35   12 o  653.761   5.5502  1479.76   25.113  1471.74   28.268  1509.76   54.707  651.947   6.2648  659.786   11.980 -7.839050 13.51926 
1 1 1   -1   35   13 o  380.396   4.5183  500.962   11.896  507.647   13.214  472.390   27.319  382.908   4.9862  369.024   10.696 13.88376 11.80143 
1 1 1   -1   35   14 f  343.079   10.804  408.634   25.653   0.0000   0.0000  408.634   25.653  ?   ?   343.079   10.804 0.000000 10.80372 
1 1 1   -1   35   15 o   83.958   8.4260   24.699   4.8302   22.955   5.0733   41.590   15.790   80.801   9.2379  106.810   22.089 -26.00849 23.94334 
1 1 1   -1   35   16 f  254.464   4.7915  224.312   8.4386  221.329   9.1647  240.927   21.632  252.741   5.2392  263.016   11.883 -10.27484 12.98689 
1 1 1   -1   35   17 o  117.871   12.790   49.085   10.267   47.688   12.302   52.293   18.637  115.540   15.798  119.147   23.436 -3.606606 28.26290 
1 1 1   -1   35   18 o   67.919   12.955   16.680   5.8678   15.320   6.2044   28.205   18.058   64.833   14.218   87.688   27.054 -22.85444 30.56283 
1 1 1   -1   35   19 o   44.456   15.639   6.2102   5.9700   6.0901   6.3552   7.1122   17.414   44.826   16.096   62.782   25.540 -17.95607 30.18878 
1 1 1   -1   37    1 o  1906.77   12.947 12588.61  170.856 12070.39  230.406 13221.72  254.666  1866.67   17.834  1953.55   18.835 -86.88354 25.93872 
1 1 1   -1   37    2 o  563.249   5.2126  1097.96   20.320  1051.78   27.887  1150.23   29.671  551.255   7.3092  576.474   7.4365 -25.21930 10.42717 
1 1 1   -1   37    3 o  1978.62   13.391 13555.88  183.377 13258.73  252.942 13885.08  266.236  1956.26   18.682  2001.87   19.216 -45.60718 26.80010 
1 1 1   -1   37    4 o  1175.84   8.4190  4785.75   68.515  4678.41   94.704  4903.63   99.245  1162.44   11.771  1190.08   12.049 -27.63770 16.84464 
1 1 1   -1   37    5 o  347.092   6.8159  416.979   16.374  395.220   24.919  433.512   21.721  337.871   10.656  353.884   8.8682 -16.01361 13.86356 
1 1 1   -1   37    6 o  1191.82   8.5252  4917.07   70.322  4680.45   94.379  5212.40  105.438  1162.62   11.729  1226.86   12.417 -64.24475 17.08087 
1 1 1   -1   37    7 o  650.429   5.5913  1464.26   25.170  1413.38   34.450  1522.52   36.865  638.980   7.7897  663.187   8.0316 -24.20660 11.18867 
1 1 1   -1   37    8 o  119.837   10.269   50.094   8.4349   48.546   9.3475   56.878   19.572  117.823   11.614  126.009   23.300 -8.185951 26.03381 
1 1 1   -1   37    9 o  406.640   4.7741  572.321   13.436  572.009   18.505  572.670   19.541  406.498   6.5774  406.726   6.9417 -0.2273254 9.562909 
1 1 1   -1   37   10 o  170.611   6.8462  100.775   8.0841  100.528   8.7845  102.146   20.660  170.394   7.4488  170.637   17.754 -0.2427979 19.25295 
1 1 1   -1   37   11 o  628.868   6.1917  1369.26   26.949  1434.43   34.473  1266.83   43.217  643.569   7.7394  604.617   10.327 38.95239 12.90559 
1 1 1   -1   37   12 o  262.794   4.3346  239.072   7.8839  239.755   8.4753  234.683   21.481  263.163   4.6532  260.077   11.934 3.086243 12.80863 
1 1 1   -1   37   13 o  139.239   6.3708   67.158   6.1395   65.711   6.6228   76.000   16.372  137.541   6.9801  146.826   16.391 -9.284866 17.81508 
1 1 1   -1   37   14 o  343.774   5.3623  409.336   12.758  405.398   14.729  421.171   25.534  342.063   6.2214  348.257   10.593 -6.193481 12.28525 
1 1 1   -1   37   15 o  135.552   5.2566   63.655   4.9316   62.800   5.1978   71.366   15.612  134.629   5.5783  141.985   16.176 -7.355362 17.11034 
1 1 1   -1   37   16 o  102.955   6.9492   36.936   4.9228   35.034   5.1238   59.756   17.749  100.205   7.4411  128.538   20.651 -28.33281 21.95038 
1 1 1   -1   37   18 o   87.900   14.083   27.801   8.2784   31.937   9.3183   12.312   18.033   94.184   14.782   68.972   26.634 25.21216 30.46132 
1 1 1   -1   39    1 o  803.191   7.3043  2232.88   40.605  2156.10   68.048  2275.33   50.600  789.123   12.459  810.752   9.0176 -21.62939 15.38019 
1 1 1   -1   39    2 o  686.015   6.6716  1628.86   31.677  1590.75   37.905  1717.07   57.676  677.919   8.0788  704.227   11.833 -26.30853 14.32804 
1 1 1   -1   39    3 o  1085.43   7.9045  4078.06   59.382  3894.93   80.135  4301.10   88.435  1060.67   10.916  1114.57   11.464 -53.90784 15.82988 
1 1 1   -1   39    4 o  1168.34   8.4139  4725.08   68.036  4445.21   90.183  5094.80  103.653  1133.06   11.500  1212.98   12.347 -79.91711 16.87272 
1 1 1   -1   39    5 o  665.264   5.7224  1531.79   26.348  1505.21   36.707  1560.04   37.842  659.419   8.0429  671.319   8.1446 -11.89996 11.44653 
1 1 1   -1   39    6 o  236.366   6.6120  193.382   10.817  206.293   20.410  188.340   12.755  244.064   12.083  233.253   7.9012 10.81088 14.43671 
1 1 1   -1   39    7 o  992.868   8.4782  3412.85   58.260  3195.61   93.296  3551.72   74.592  960.388   14.036  1012.74   10.642 -52.35339 17.61404 
1 1 1   -1   39    8 o  226.729   5.4057  177.931   8.4828  165.070   11.170  195.458   13.039  218.361   7.3907  237.606   7.9289 -19.24426 10.83926 
1 1 1   -1   39    9 o  590.951   6.2965  1208.93   25.753  1173.78   30.082  1305.37   49.829  582.256   7.4648  613.804   11.729 -31.54797 13.90335 
1 1 1   -1   39   10 f  291.540   6.4703  294.278   13.056  294.278   13.056   0.0000   0.0000  291.540   6.4703  ?   ?  0.000000 6.470258 
1 1 1   -1   39   11 o  131.210   6.3692   59.617   5.7840   48.930   7.1883   79.242   9.7413  118.507   8.8273  150.925   9.3720 -32.41793 12.87461 
1 1 1   -1   39   12 o  653.504   5.5464  1478.87   25.086  1485.08   28.584  1458.05   52.335  654.812   6.3071  648.154   11.666 6.657593 13.26207 
1 1 1   -1   39   13 o  260.433   11.108  235.512   20.021   0.0000   0.0000  235.512   20.021  ?   ?   260.433   11.108 0.000000 11.10762 
1 1 1   -1   39   14 o  325.603   7.5742  367.614   17.069  388.000   24.566  348.585   23.734  334.187   10.621  316.734   10.827 17.45285 15.16644 
1 1 1   -1   39   15 o  143.826   11.687   72.480   11.533   52.683   16.358   92.049   16.264  120.743   20.295  161.683   14.694 -40.93988 25.05578 
1 1 1   -1   39   16 o   51.065   22.102  -1.3488   14.369  -1.3488   14.369   0.0000   0.0000   51.065   22.102  ?   ?  0.000000 22.10182 
1 1 1   -1   39   17 o  130.993   5.8346   59.519   5.2897   59.394   5.4981   61.073   19.399  130.843   6.0713  128.928   22.562 1.914581 23.36445 
1 1 1   -1   39   18 o  174.131   5.9244  105.250   7.1400  100.429   7.6022  141.317   20.795  170.048   6.4594  199.552   15.170 -29.50476 16.48808 
1 1 1   -1   41    1 o  685.007   5.7857  1624.04   27.430  1556.23   37.431  1702.69   40.313  670.510   8.0659  701.347   8.3049 -30.83710 11.57711 
1 1 1   -1   41    2 f  674.022   5.7518  1572.38   26.832  1511.20   36.722  1642.45   39.302  660.736   8.0300  688.826   8.2438 -28.09021 11.50831 
1 1 1   -1   41    3 o  640.578   6.5040  1420.28   28.836  1395.74   34.463  1477.56   52.653  634.993   7.8417  653.231   11.646 -18.23773 14.04015 
1 1 1   -1   41    4 o  531.414   5.9211  977.436   21.778  937.215   26.179  1067.81   39.241  520.343   7.2693  555.343   10.210 -35.00012 12.53306 
1 1 1   -1   41    5 o  1223.21   8.7378  5180.00   73.974  5038.82  101.477  5340.09  108.063  1206.19   12.156  1241.69   12.574 -35.49976 17.48917 
1 1 1   -1   41    6 o  596.768   5.4779  1232.64   22.625  1144.91   30.277  1343.59   34.048  575.089   7.6068  622.985   7.8965 -47.89648 10.96437 
1 1 1   -1   41    7 o  444.956   5.0254  685.266   15.476  637.175   20.753  745.513   23.229  429.024   6.9892  464.060   7.2323 -35.03632 10.05760 
1 1 1   -1   41    8 o  697.238   5.8785  1682.82   28.368  1569.51   37.681  1831.05   43.099  673.268   8.0865  727.177   8.5635 -53.90961 11.77811 
1 1 1   -1   41    9 o  445.575   4.9518  687.237   15.271  646.633   20.390  739.104   23.045  432.159   6.8171  462.014   7.2069 -29.85431 9.920293 
1 1 1   -1   41   10 o  437.444   4.9082  662.443   14.860  610.520   19.510  734.176   22.932  419.885   6.7137  460.426   7.1964 -40.54013 9.841801 
1 1 1   -1   41   11 o  421.475   4.7408  615.011   13.829  633.474   19.448  596.127   19.669  427.668   6.5705  414.855   6.8503 12.81372 9.492031 
1 1 1   -1   41   12 o  217.781   7.2073  164.342   10.863  164.342   10.863   0.0000   0.0000  217.781   7.2073  ?   ?  0.000000 7.207255 
1 1 1   -1   41   13 o  224.350   8.7473  174.598   13.582  175.854   19.113  173.317   19.305  224.554   12.345  222.893   12.565 1.661240 17.61518 
1 1 1   -1   41   14 o  207.815   9.3842  149.966   13.497  168.195   19.769  134.049   18.473  219.346   13.082  195.624   13.731 23.72150 18.96481 
1 1 1   -1   41   15 o  168.766   10.454   99.462   12.150  131.951   17.892   71.659   16.552  193.971   13.410  141.889   17.207 52.08247 21.81513 
1 1 1   -1   41   16 o   55.119   20.693   8.1753   10.693   18.849   13.852  -7.5659   16.822   73.458   23.831   50.660   22.810 22.79764 32.98844 
1 1 1   -1   41   17 o  255.775   8.9677  227.758   15.875  230.195   21.409  224.781   23.661  256.520   12.059  252.773   13.574 3.746368 18.15681 
1 1 1   -1   41   18 o  148.712   19.012   80.341   19.120   80.341   19.120   0.0000   0.0000  148.712   19.012  ?   ?  0.000000 19.01177 
1 1 1   -1   43    1 o  210.956   6.2630  154.033   9.1443  142.513   12.487  167.354   13.428  202.894   8.8925  219.868   8.8239 -16.97377 12.52753 
1 1 1   -1   43    2 o  780.352   6.2945  2107.74   33.996  2018.65   46.286  2212.09   50.095  763.610   8.7579  799.351   9.0548 -35.74127 12.59727 
1 1 1   -1   43    3 o  728.684   6.9286  1837.97   34.943  1795.59   42.074  1932.19   62.737  720.189   8.4409  746.930   12.136 -26.74091 14.78255 
1 1 1   -1   43    4 f  459.286   5.1071  730.096   16.234  703.597   22.232  760.365   23.762  450.842   7.1250  468.673   7.3254 -17.83081 10.21898 
1 1 1   -1   43    5 o  932.962   7.1000  3013.11   45.846  2873.45   61.860  3183.28   68.286  910.951   9.8115  958.776   10.291 -47.82574 14.21834 
1 1 1   -1   43    6 o  292.754   5.9851  296.666   12.127  260.390   18.274  325.211   16.211  274.216   9.6287  306.491   7.6420 -32.27457 12.29279 
1 1 1   -1   43    7 o  1008.06   8.7361  3518.91   60.951  3353.17  101.932  3611.14   76.043  983.413   14.976  1021.02   10.761 -37.60321 18.44127 
1 1 1   -1   43    8 o  1038.44   7.6850  3734.12   55.234  3518.65   73.354  4016.24   83.936  1007.76   10.517  1076.56   11.265 -68.80493 15.41130 
1 1 1   -1   43    9 o   94.792   10.475   31.522   6.7573   35.823   7.9934   20.751   12.649  100.980   11.651   76.519   22.432 24.46059 25.27772 
1 1 1   -1   43   10 o  234.026   6.0833  189.658   9.8533  187.916   10.985  196.829   22.290  232.929   6.8138  237.703   13.605 -4.773682 15.21602 
1 1 1   -1   43   11 o  109.665   7.6057   41.873   5.7371   52.862   7.1934   22.667   9.5103  123.201   8.4879   79.098   17.802 44.10291 19.72189 
1 1 1   -1   43   12 o  122.909   6.1903   52.468   5.2490   51.780   6.5428   53.710   8.7927  121.969   7.7913  123.964   10.343 -1.994064 12.94901 
1 1 1   -1   43   13 o  103.251   16.365   38.132   11.304   46.678   15.523   28.483   16.494  113.627   20.493   88.661   25.509 24.96622 32.72078 
1 1 1   -1   43   14 o   69.429   21.111   17.112   11.046   18.571   15.869   15.741   15.384   74.893   25.538   70.882   25.086 4.010513 35.79811 
1 1 1   -1   43   15 o  337.176   7.6169  394.658   17.775  394.634   24.872  394.683   25.412  336.658   10.675  336.634   10.907 0.2465820E-01 15.26141 
1 1 1   -1   43   16 o  106.435   17.517   40.985   12.455   31.444   16.476   53.707   19.025   91.896   25.166  120.454   23.665 -28.55740 34.54504 
1 1 1   -1   43   17 o   84.730   27.287   26.083   18.186   0.0000   0.0000   26.083   18.186  ?   ?    84.730   27.287 0.000000 27.28683 
1 1 1   -1   45    1 o  666.818   5.7948  1539.03   26.744  1523.49   37.476  1555.16   38.177  663.379   8.1623  670.235   8.2299 -6.855957 11.59110 
1 1 1   -1   45    2 o  348.124   5.2640  419.457   12.683  415.415   17.496  423.935   18.413  346.415   7.2972  349.945   7.6024 -3.529633 10.53781 
1 1 1   -1   45    3 f  782.998   6.3317  2122.17   34.313  2073.48   47.403  2175.76   49.733  773.869   8.8503  792.717   9.0646 -18.84747 12.66869 
1 1 1   -1   45    4 o  1130.59   9.5175  4426.16   74.474  4294.10   88.108  4756.58  139.369  1113.44   11.433  1171.20   17.193 -57.75928 20.64780 
1 1 1   -1   45    5 o  474.397   5.8924  779.020   19.347  755.610   31.282  793.520   24.620  467.109   9.6762  478.754   7.4302 -11.64569 12.19982 
1 1 1   -1   45    6 o  661.220   6.5895  1513.59   30.156  1447.69   35.944  1670.24   55.417  646.603   8.0318  694.315   11.532 -47.71204 14.05344 
1 1 1   -1   45    7 o   79.316   17.677   22.706   9.4560   1.8507   16.776   32.417   11.448   58.652   24.575   95.055   18.061 -36.40316 30.49786 
1 1 1   -1   45    8 o  138.283   10.616   66.667   10.082   44.449   17.994   76.835   12.173  110.767   24.152  148.380   11.955 -37.61297 26.94884 
1 1 1   -1   45    9 o  180.861   6.1652  113.274   7.7173  101.932   9.9480  130.416   12.230  171.519   8.3801  193.988   9.1090 -22.46889 12.37738 
1 1 1   -1   45   10 o  476.484   5.0074  786.109   16.514  769.877   22.585  804.753   24.206  471.422   6.9222  481.956   7.2567 -10.53448 10.02877 
1 1 1   -1   45   11 o  222.043   5.6506  170.763   8.6839  176.439   12.196  164.926   12.368  225.615   7.8102  218.112   8.1929 7.503036 11.31909 
1 1 1   -1   45   12 o  201.293   6.4593  140.411   8.9989  140.411   8.9989   0.0000   0.0000  201.293   6.4593  ?   ?  0.000000 6.459303 
1 1 1   -1   45   13 o  250.710   8.4963  218.147   14.743  211.756   20.443  225.073   21.281  246.658   11.975  254.281   12.092 -7.623413 17.01815 
1 1 1   -1   45   14 o   78.173   25.575   21.151   15.941   21.151   15.941   0.0000   0.0000   78.173   25.575  ?   ?  0.000000 25.57528 
1 1 1   -1   45   16 o  139.268   14.217   68.791   13.511   55.268   18.744   83.415   19.493  122.223   23.003  152.193   18.913 -29.97014 29.77969 
1 1 1   -1   45   17 o  110.535   16.220   44.165   12.040   48.654   16.950   39.595   17.104  114.220   22.241  102.215   24.497 12.00549 33.08778 
1 1 1   -1   47    1 o  259.943   5.8559  233.888   10.535  235.936   14.700  231.725   15.107  261.049   8.1362  258.704   8.4371 2.345154 11.72105 
1 1 1   -1   47    2 o  248.126   7.0982  213.134   12.190  191.512   20.381  225.176   15.210  234.774   12.589  255.017   8.6177 -20.24297 15.25605 
1 1 1   -1   47    3 o  443.682   5.1923  681.370   15.944  634.178   21.688  736.877   23.521  427.997   7.3216  461.351   7.3663 -33.35397 10.38590 
1 1 1   -1   47    4 o  471.817   5.2430  770.544   17.121  765.078   23.761  776.448   24.691  470.088   7.3031  473.562   7.5334 -3.473297 10.49226 
1 1 1   -1   47    5 o  340.291   6.0726  400.872   14.302  386.685   16.681  440.244   27.789  334.190   7.2120  356.453   11.264 -22.26227 13.37494 
1 1 1   -1   47    6 o  220.966   6.1676  169.041   9.4323  181.193   12.791  154.554   13.965  228.734   8.0795  211.219   9.5529 17.51474 12.51149 
1 1 1   -1   47    7 o  578.074   6.3673  1157.09   25.475  1131.27   30.090  1222.44   47.869  571.516   7.6070  593.768   11.648 -22.25159 13.91208 
1 1 1   -1   47    8 o  272.656   5.4921  257.400   10.364  250.321   13.794  266.577   15.706  268.822   7.4138  277.384   8.1810 -8.562531 11.04049 
1 1 1   -1   47    9 o  247.189   5.3737  211.579   9.1935  190.358   11.997  241.773   14.310  234.401   7.3947  264.147   7.8276 -29.74687 10.76814 
1 1 1   -1   47   10 f  141.583   7.6075   69.673   7.4273   65.366   9.8106   75.456   11.368  136.849   10.437  146.996   11.260 -10.14725 15.35282 
1 1 1   -1   47   11 o  248.163   5.9294  213.353   10.184  213.579   11.438  212.488   22.374  248.260   6.6568  246.786   13.146 1.473434 14.73565 
1 1 1   -1   47   12 o  267.678   4.7886  248.168   8.8715  250.439   11.833  245.252   13.407  268.811   6.3600  265.950   7.2835 2.861511 9.669522 
1 1 1   -1   47   13 o  164.686   11.089   94.800   12.566  101.659   17.907   88.146   17.638  169.806   15.404  157.819   16.387 11.98653 22.49066 
1 1 1   -1   47   14 o   56.437   21.177   8.5633   11.196   28.932   16.124 -10.4000   15.558   88.681   25.125   46.557   21.340 42.12394 32.96459 
1 1 1   -1   47   15 o  219.042   9.6537  167.068   14.635  161.219   19.515  174.585   22.124  214.200   13.228  222.619   14.437 -8.419418 19.58084 
1 1 1   -1   47   16 o   88.377   19.617   28.914   11.686   37.839   16.918   20.771   16.161  100.196   24.582   77.000   25.774 23.19530 35.61669 
1 1 1   -1   49    1 o  311.429   6.2805  335.752   13.537  326.412   16.454  355.317   23.815  307.038   7.7429  320.265   10.744 -13.22675 13.24332 
1 1 1   -1   49    2 o  487.880   5.3093  823.926   17.928  851.002   25.651  798.071   25.066  495.768   7.4758  480.100   7.5436 15.66766 10.62042 
1 1 1   -1   49    3 o  488.978   6.1806  827.740   20.917  772.683   35.150  857.925   26.027  472.250   10.754  497.766   7.5547 -25.51593 13.14246 
1 1 1   -1   49    4 o   37.178   16.220  -1.6641   7.8669  -3.5250   10.820   0.4231   11.459   42.419   18.746   47.640   20.153 -5.221203 27.52373 
1 1 1   -1   49    5 o  413.700   5.2102  592.479   14.918  581.972   20.607  604.049   21.625  409.947   7.2628  417.642   7.4814 -7.694611 10.42689 
1 1 1   -1   49    6 o  507.971   5.3044  893.330   18.649  849.021   25.303  946.015   27.591  495.113   7.3841  522.615   7.6281 -27.50195 10.61665 
1 1 1   -1   49    7 o  277.466   6.0837  266.599   11.683  252.615   14.122  296.927   20.796  270.041   7.5559  292.641   10.268 -22.59930 12.74832 
1 1 1   -1   49    8 o  354.030   5.7932  434.050   14.195  393.317   21.207  467.113   19.106  336.831   9.0969  367.176   7.5184 -30.34445 11.80172 
1 1 1   -1   49    9 o  265.388   6.6786  244.006   12.267  207.073   21.937  260.810   14.797  243.746   13.051  274.317   7.7936 -30.57111 15.20082 
1 1 1   -1   49   10 o  234.145   5.3102  189.883   8.6054  195.610   11.306  181.997   13.268  237.581   6.8758  229.087   8.3680 8.494064 10.83051 
1 1 1   -1   49   11 o  225.345   5.3823  175.912   8.3944  169.688   10.798  185.418   13.345  221.241   7.0519  231.185   8.3405 -9.944809 10.92217 
1 1 1   -1   49   12 o  251.808   4.9987  219.661   8.7116  210.605   11.290  232.985   13.695  246.464   6.6188  259.148   7.6355 -12.68472 10.10497 
1 1 1   -1   49   13 o  299.933   6.1986  311.927   12.868  311.927   12.868   0.0000   0.0000  299.933   6.1986  ?   ?  0.000000 6.198584 
1 1 1   -1   49   14 o  167.743   11.272   98.568   13.010  103.951   18.266   93.024   18.535  171.366   15.571  161.727   16.804 9.639008 22.90928 
1 1 1   -1   49   15 o   70.005   25.836   14.644   16.530   0.0000   0.0000   14.644   16.530  ?   ?    70.005   25.836 0.000000 25.83625 
1 1 1   -1   49   16 o   54.152   21.783   5.5236   12.512   3.6190   18.315   7.1902   17.133   60.922   25.609   62.489   25.366 -1.566914 36.04510 
1 1 1   -1   51    1 o  284.753   5.7380  280.708   11.309  271.232   15.690  290.951   16.313  279.850   8.1008  289.844   8.1321 -9.993622 11.47843 
1 1 1   -1   51    2 o  423.637   5.2669  621.280   15.443  645.794   21.938  597.200   21.743  431.843   7.3399  415.270   7.5649 16.57370 10.54050 
1 1 1   -1   51    3 o  751.304   7.1596  1954.70   37.229  1931.71   63.177  1966.94   46.080  746.373   12.230  753.514   8.8357 -7.140381 15.08786 
1 1 1   -1   51    4 o  614.858   5.6486  1308.90   24.038  1263.08   33.029  1360.49   35.050  603.862   7.9027  626.702   8.0806 -22.83942 11.30263 
1 1 1   -1   51    5 o  387.741   6.2441  520.617   16.757  495.122   28.613  533.925   20.672  377.869   10.941  392.602   7.6079 -14.73337 13.32580 
1 1 1   -1   51    6 o  206.647   7.5557  147.939   10.806  152.388   12.530  135.024   21.350  209.695   8.6334  196.425   15.839 13.27051 18.03928 
1 1 1   -1   51    7 o  273.670   5.5331  259.356   10.480  264.400   14.285  253.476   15.423  276.241   7.4715  270.438   8.2401 5.803101 11.12308 
1 1 1   -1   51    8 o  108.646   10.218   41.317   7.5934   43.174   9.7591   38.468   12.089  110.709   12.983  103.641   17.474 7.068115 21.76932 
1 1 1   -1   51    9 o  269.534   5.9263  251.669   11.055  233.219   16.219  267.679   15.109  259.286   9.0379  277.864   7.8565 -18.57846 11.97532 
1 1 1   -1   51   10 o  115.362   8.5831   46.427   6.8040   37.130   8.5507   62.475   11.234  102.590   12.287  133.453   12.301 -30.86256 17.38648 
1 1 1   -1   51   11 o  161.900   6.4331   90.861   7.2084   90.328   9.1518   91.733   11.700  161.127   8.2341  162.112   10.484 -0.9847107 13.33071 
1 1 1   -1   51   12 o  115.198   8.2532   46.310   6.5366   42.831   7.7079   55.220   12.335  110.509   10.193  124.859   14.546 -14.34959 17.76189 
1 1 1   -1   51   13 o   62.843   10.785   14.141   4.5220   17.772   5.5643   7.0764   7.7606   70.442   11.832   49.058   17.764 21.38453 21.34410 
1 1 1   -1   51   14 o  243.474   9.2561  206.356   15.598  180.488   22.054  232.244   22.063  226.391   14.146  257.699   12.370 -31.30785 18.79164 
1 1 1   -1   51   15 o  148.332   12.993   77.795   13.204   76.049   19.349   79.317   18.064  144.635   19.853  148.389   17.954 -3.753784 26.76758 
1 1 1   -1   53    1 o  551.168   5.4832  1051.78   20.917  1081.31   29.774  1022.99   29.391  558.723   7.6996  543.440   7.8143 15.28333 10.97025 
1 1 1   -1   53    2 o  257.584   6.0421  229.745   10.772  245.473   15.622  215.491   14.872  266.176   8.4798  249.387   8.6165 16.78955 12.08931 
1 1 1   -1   53    3 o  223.506   6.3519  172.996   9.8258  174.951   13.576  170.844   14.240  224.695   8.7296  222.023   9.2666 2.671570 12.73094 
1 1 1   -1   53    4 o  231.282   7.4013  185.305   11.847  186.195   20.644  184.867   14.467  231.228   12.952  230.949   9.0508 0.2792511 15.80072 
1 1 1   -1   53    5 o  448.314   6.1118  696.071   18.964  688.940   22.575  713.171   34.957  445.936   7.3142  453.374   11.140 -7.437958 13.32694 
1 1 1   -1   53    6 o  294.551   5.4870  300.452   11.186  314.229   15.485  285.419   16.176  301.139   7.4297  286.966   8.1443 14.17383 11.02413 
1 1 1   -1   53    7 o  484.124   6.1455  811.888   20.592  807.053   24.534  823.415   37.878  482.576   7.3455  486.976   11.238 -4.399628 13.42607 
1 1 1   -1   53    8 o   89.277   13.592   28.360   8.1332   30.429   11.670   26.406   11.341   91.612   19.027   85.184   19.639 6.428040 27.34419 
1 1 1   -1   53    9 o   63.761   17.077   14.701   7.6871   5.9854   10.306   25.632   11.541   51.793   20.097   83.822   20.144 -32.02926 28.45508 
1 1 1   -1   53   10 o  260.531   6.8458  235.337   12.344  206.049   22.687  247.655   14.713  242.740   13.558  267.174   7.9565 -24.43405 15.72020 
1 1 1   -1   53   11 o  136.443   7.5667   64.796   7.1175   66.576   8.9912   61.808   11.648  138.090   9.4647  132.518   12.862 5.572388 15.96931 
1 1 1   -1   53   12 o  290.037   5.8674  291.663   11.778  300.240   13.651  266.683   23.298  294.185   6.7045  276.469   12.176 17.71548 13.89952 
1 1 1   -1   53   13 o  166.240   5.7130   95.840   6.5732  111.991   8.7650   75.082   9.9366  179.603   7.0511  146.508   9.8567 33.09506 12.11916 
1 1 1   -1   53   14 o   78.265   21.906   22.644   12.335   27.376   17.827   18.298   17.086   86.372   26.918   74.690   26.437 11.68247 37.72964 
1 1 1   -1   55    1 o   77.388   20.491   21.642   11.148   21.642   11.148   0.0000   0.0000   77.388   20.491  ?   ?  0.000000 20.49072 
1 1 1   -1   55    2 o  170.009   7.6499  100.143   9.0012  119.307   12.718   80.907   12.742  185.221   9.9573  152.184   12.200 33.03600 15.74727 
1 1 1   -1   55    3 o  243.689   6.0506  205.667   10.205  211.082   14.108  199.725   14.779  246.791   8.2597  240.031   8.8963 6.759857 12.13945 
1 1 1   -1   55    4 o  227.243   6.3963  178.872   10.060  186.485   13.915  170.536   14.561  231.935   8.6682  221.757   9.4873 10.17827 12.85098 
1 1 1   -1   55    5 o  183.571   10.180  117.280   12.884  134.976   19.615  103.854   17.086  196.436   14.531  172.177   14.472 24.25911 20.50838 
1 1 1   -1   55    6 o  427.793   5.2371  633.798   15.506  607.394   21.131  664.603   22.824  418.636   7.2930  437.885   7.5312 -19.24976 10.48364 
1 1 1   -1   55    7 o  370.730   5.2657  476.039   13.511  476.180   18.629  475.881   19.626  370.640   7.2620  370.489   7.6537 0.1503906 10.55065 
1 1 1   -1   55    8 o  416.139   5.1686  599.842   14.886  585.135   20.375  616.681   21.802  410.827   7.1658  421.722   7.4695 -10.89560 10.35098 
1 1 1   -1   55    9 o  204.089   7.0133  144.428   9.9065  135.967   11.892  163.610   17.906  197.916   8.6819  216.478   11.998 -18.56247 14.80950 
1 1 1   -1   55   10 o   87.252   11.924   27.002   7.0124   29.402   9.0087   23.313   11.171   90.557   14.891   79.798   20.205 10.75937 25.09993 
1 1 1   -1   55   11 o  260.234   5.4370  234.729   9.7926  227.328   12.954  244.599   14.959  255.933   7.3130  265.386   8.1444 -9.452301 10.94579 
1 1 1   -1   55   12 o   93.987   10.101   31.112   6.4674   43.431   8.2108   10.978   10.497  111.106   10.815   58.927   20.737 52.17925 23.38736 
1 1 1   -1   55   13 o  155.049   6.5120   83.454   6.9881   97.659   9.7214   68.267   10.052  167.341   8.4205  139.500   10.488 27.84132 13.45018 
1 1 1   -1   55   14 f  180.544   11.754  114.680   14.607  119.073   21.835  111.122   19.651  182.200   17.532  176.389   16.281 5.810944 23.92529 
1 1 1   -1   57    1 o  225.231   7.3215  175.783   11.413  165.219   18.887  181.859   14.324  217.718   12.588  229.011   9.0373 -11.29323 15.49606 
1 1 1   -1   57    2 o  203.583   7.8181  143.650   11.016  147.542   13.118  134.342   20.287  206.262   9.1893  195.896   15.079 10.36638 17.65834 
1 1 1   -1   57    3 o  347.576   5.3615  418.387   12.898  401.036   17.792  437.602   18.723  340.165   7.5573  355.331   7.6134 -15.16571 10.72736 
1 1 1   -1   57    4 o  110.176   12.433   42.720   9.3149   44.952   11.259   37.878   16.583  112.677   14.795  101.803   23.938 10.87363 28.14142 
1 1 1   -1   57    5 o  204.933   6.6092  145.529   9.3742  139.003   12.913  152.799   13.630  200.154   9.3217  209.848   9.3846 -9.694061 13.22744 
1 1 1   -1   57    6 o  134.201   8.9983   62.772   8.3095   69.383   11.398   55.272   12.140  140.781   11.807  125.162   14.269 15.61906 18.52060 
1 1 1   -1   57    7 f  201.304   7.5406  140.528   10.506  135.073   16.350  144.365   13.711  196.672   12.070  203.892   9.7163 -7.220047 15.49476 
1 1 1   -1   57    8 o  153.647   9.2712   82.281   9.8129   93.768   11.304   47.141   19.770  163.967   10.008  113.007   25.840 50.96066 27.71012 
1 1 1   -1   57    9 o  189.189   6.6724  124.121   8.7368  114.026   11.415  138.404   13.576  180.938   9.1445  199.535   9.8307 -18.59660 13.42628 
1 1 1   -1   57   10 o  165.186   7.8249   94.736   8.9460   83.740   10.717  120.000   16.245  154.818   10.057  184.982   12.767 -30.16368 16.25211 
1 1 1   -1   57   11 o  107.593   13.467   41.116   9.8084   49.171   19.457   38.371   11.357  114.910   25.162  103.232   16.448 11.67786 30.06047 
1 1 1   -1   57   12 o  207.335   5.9254  149.135   8.5030  159.260   11.379  136.334   12.795  214.075   7.6800  197.868   9.3431 16.20668 12.09448 
1 1 1   -1   57   13 o   76.089   13.117   20.884   6.6583   23.695   7.3616   8.2439   15.610   81.056   13.604   61.683   24.492 19.37245 28.01706 
1 1 1   -1   59    1 o   64.036   17.895   14.731   8.2379   13.297   11.352   16.326   11.973   63.811   21.600   68.989   22.132 -5.178318 30.92574 
1 1 1   -1   59    2 o  126.866   9.9611   56.208   8.6761   58.682   12.112   53.600   12.434  129.130   13.765  123.161   14.889 5.968384 20.27680 
1 1 1   -1   59    3 o  138.657   9.2818   67.010   8.8560   70.993   12.006   62.257   13.116  142.365   12.306  132.914   14.493 9.450989 19.01234 
1 1 1   -1   59    4 o  182.911   7.2564  115.983   9.1862  141.419   12.748   88.508   13.249  201.871   9.1240  159.078   12.125 42.79327 15.17450 
1 1 1   -1   59    5 o  192.186   6.9421  128.040   9.2340  139.899   12.909  115.614   13.214  200.752   9.2908  182.117   10.528 18.63521 14.04158 
1 1 1   -1   59    6 o  343.562   7.6959  409.415   18.300   0.0000   0.0000  409.415   18.300  ?   ?   343.562   7.6959 0.000000 7.695948 
1 1 1   -1   59    7 o  139.850   8.7256   68.166   8.4036   66.568   11.350   70.105   12.502  137.750   12.026  141.244   12.933 -3.493378 17.65983 
1 1 1   -1   59    8 o  277.759   5.6818  267.397   10.923  250.544   14.746  287.881   16.258  268.666   7.9304  287.965   8.1574 -19.29880 11.37694 
1 1 1   -1   59    9 f  163.622   7.7242   92.945   8.7473  104.017   11.541   78.002   13.408  172.665   9.6971  148.876   13.148 23.78888 16.33721 
1 1 1   -1   59   10 f  108.911   10.586   41.711   7.8789   50.033   10.303   29.990   12.227  118.999   12.706   90.288   20.085 28.71147 23.76690 
1 1 1   -1   59   11 o  225.934   6.4549  177.167   10.094  171.854   14.767  181.826   13.829  222.127   9.6052  228.608   8.7399 -6.480835 12.98636 
1 1 1   -1   59   12 o   86.533   11.282   26.614   6.5959   33.353   8.5486   16.699   10.369   96.640   13.120   67.869   20.413 28.77016 24.26601 
1 1 1   -1   61    1 o  112.080   15.618   44.668   11.786   0.0000   0.0000   44.668   11.786  ?   ?   112.080   15.618 0.000000 15.61782 
1 1 1   -1   61    2 o  193.128   8.2865  129.394   11.076  157.122   19.645  116.471   13.411  211.969   13.460  182.776   10.648 29.19249 17.16266 
1 1 1   -1   61    3 o  329.830   6.2472  377.019   14.261  408.931   17.846  320.634   23.722  343.393   7.5089  303.665   11.287 39.72864 13.55648 
1 1 1   -1   61    4 o  333.747   5.4506  385.916   12.590  393.224   17.624  378.297   17.993  336.710   7.5624  330.226   7.8725 6.483826 10.91636 
1 1 1   -1   61    5 o  129.676   9.5927   58.735   8.5484   56.156   11.661   61.732   12.569  126.186   13.565  132.304   13.935 -6.118126 19.44743 
1 1 1   -1   61    6 o  169.080   7.7196   99.201   9.0337  106.331   12.694   91.883   12.859  174.530   10.558  162.050   11.541 12.47993 15.64171 
1 1 1   -1   61    7 o   57.524   18.085   11.522   8.0268   11.648   10.957   11.376   11.793   60.619   21.194   61.178   21.931 -0.5586243 30.49838 
1 1 1   -1   61    8 o  116.908   10.462   47.958   8.3757   45.433   11.250   51.098   12.545  112.982   14.738  119.763   15.498 -6.780617 21.38735 
1 1 1   -1   61    9 o  183.133   8.5196  116.582   10.798  119.505   12.608  108.537   20.917  185.013   9.8823  174.612   17.546 10.40038 20.13742 
1 1 1   -1   61   10 o  151.060   8.0242   79.546   8.3592   86.502   11.324   71.216   12.391  157.157   10.471  142.096   12.735 15.06097 16.48690 
1 1 1   -1   61   11 o   46.698   17.957   5.3152   8.1704   12.595   10.044  -8.9268   14.048   60.794   20.319   44.350   20.309 16.44386 28.72856 
1 1 1   -1   63    1 o   32.905   15.147  -6.0521   7.9543 -17.7166   11.249   5.6131   11.249   33.388   16.122   52.835   20.851 -19.44735 26.35654 
1 1 1   -1   63    2 o   89.660   15.953   28.939   9.5370   33.702   11.515   18.537   17.017   96.543   17.893   75.825   26.419 20.71864 31.90783 
1 1 1   -1   63    3 o  327.193   5.4503  370.959   12.343  381.212   17.372  360.509   17.539  331.482   7.5722  322.323   7.8619 9.158905 10.91551 
1 1 1   -1   63    4 o  165.660   9.0171   95.608   10.300   95.465   12.260   95.951   18.987  165.300   10.775  164.593   16.908 0.7073822 20.04948 
1 1 1   -1   63    5 o  171.814   7.6640  102.453   9.1136  103.950   12.853  100.940   12.925  172.483   10.821  169.923   11.050 2.559860 15.46619 
1 1 1   -1   63    6 o   86.778   14.614   27.054   8.4654   24.576   11.708   29.768   12.255   81.784   20.673   90.065   20.162 -8.280327 28.87700 
1 1 1   -1   63    7 o   85.701   14.754   26.441   8.4358   18.619   11.721   34.848   12.151   71.992   21.714   97.827   18.627 -25.83461 28.60888 
1 1 1   -1   63    8 o   53.589   19.177   8.7489   9.0132   5.8777   11.011   14.580   15.692   52.518   20.659   69.332   25.236 -16.81395 32.61419 
1 1 1   -1   63    9 o   51.993   17.946   8.7396   7.8433   5.4145   10.689   12.618   11.544   51.313   20.301   62.388   21.758 -11.07470 29.75866 
1 1 1   -1   63   10 o  107.029   11.469   40.515   8.3633   53.024   12.183   29.365   11.502  121.854   14.745   89.156   19.207 32.69769 24.21403 
1 1 1   -1   65    1 o  188.805   7.2758  123.680   9.5076  140.069   13.320  106.658   13.575  200.734   9.5877  174.656   11.290 26.07759 14.81202 
1 1 1   -1   65    2 o  176.375   8.9041  108.351   10.834   98.000   18.762  113.530   13.271  166.367   16.512  180.301   10.682 -13.93394 19.66620 
1 1 1   -1   65    3 o  221.636   6.5335  170.367   10.022  186.174   14.402  155.525   13.956  231.462   8.9901  211.498   9.5339 19.96385 13.10411 
1 1 1   -1   65    4 o  139.670   9.9836   68.213   9.5873   60.878   15.186   73.074   12.362  130.514   17.234  144.174   12.513 -13.66101 21.29725 
1 1 1   -1   65    5 o  214.925   7.8483  160.420   11.675  163.952   14.090  152.683   20.852  217.115   9.3766  208.294   14.555 8.820953 17.31414 
1 1 1   -1   65    6 o   88.912   14.013   28.336   8.3377   24.373   11.872   32.194   11.712   81.312   20.962   93.877   18.684 -12.56489 28.07969 
1 1 1   -1   65    7 o  150.057   9.8589   78.763   10.182   81.788   12.720   73.366   16.989  152.508   12.151  143.135   17.514 9.373093 21.31700 
1 1 1   -1   65    8 o   73.022   19.340   19.641   9.9296   8.4098   18.475   24.203   11.775   65.781   26.467   80.819   20.896 -15.03714 33.72165 
1 1 1   -1   65    9 o  120.638   10.154   51.156   8.3990   59.473   11.517   41.709   12.275  129.538   13.023  107.223   17.117 22.31524 21.50727 
1 1 1   -1   67    1 o  306.683   5.8434  326.117   12.403  376.855   17.912  279.375   17.192  329.419   7.8562  283.510   8.7616 45.90903 11.76796 
1 1 1   -1   67    2 o   74.182   16.557   20.090   8.2851   16.866   11.730   23.300   11.704   69.209   21.875   79.607   20.955 -10.39792 30.29295 
1 1 1   -1   67    3 o   59.114   21.478   10.382   11.358   0.0000   0.0000   10.382   11.358  ?   ?    59.114   21.478 0.000000 21.47752 
1 1 1   -1   67    4 o  145.612   8.7862   73.995   8.8133   84.043   12.602   64.376   12.330  154.713   11.859  134.994   13.373 19.71863 17.87392 
1 1 1   -1   67    5 o  210.529   6.6627  153.837   9.7083  164.630   14.213  144.398   13.292  217.464   9.4435  203.666   9.4297 13.79788 13.34536 
1 1 1   -1   67    6 o  119.586   10.278   50.226   8.4239   53.874   11.875   46.532   11.951  123.096   14.199  113.968   15.558 9.127602 21.06338 
1 1 1   -1   69    1 o   82.979   17.783   25.222   9.9055   22.117   16.926   26.839   12.216   79.570   26.369   85.183   20.882 -5.613686 33.63562 
1 1 1   -1   69    2 o  154.436   8.6498   83.215   9.2083   85.564   13.174   80.971   12.876  155.966   12.304  151.684   12.373 4.282623 17.44937 
1 1 1   -1   69    3 o   91.547   13.856   30.031   8.5045   20.498   12.084   39.386   11.971   74.920   21.914  104.312   17.180 -29.39140 27.84595 
1 1 1   -1   69    4 o   95.859   13.381   32.820   8.6355   36.995   11.683   27.792   12.821  100.932   17.350   86.477   21.510 14.45486 27.63515 
1 1 1   -1   69    5 o  182.514   7.4114  115.783   9.3621  136.734   13.509   96.422   12.986  198.008   9.8576  165.684   11.394 32.32359 15.06639 
1 1 1   -1   71    1 f   53.543   21.416   5.5347   12.018   5.5347   12.018   0.0000   0.0000   53.543   21.416  ?   ?  0.000000 21.41550 
1 1 1   -1   71    2 o  200.939   8.2686  140.514   11.499  145.317   19.631  138.005   14.189  202.804   14.073  198.556   10.361 4.248337 17.47526 
1 1 1    0    0    2 o  2643.33   24.840 24194.90  454.355 24194.90  454.355 24194.90  454.355  2643.33   24.840  2643.33   24.840 0.000000 0.000000 
1 1 1    0    0    3 o  644.935   7.2894  1439.99   32.528  1439.99   32.528  1439.99   32.528  644.935   7.2894  644.935   7.2894 0.000000 0.000000 
1 1 1    0    0    4 o  695.532   7.7180  1674.79   37.143  1674.79   37.143  1674.79   37.143  695.532   7.7180  695.532   7.7180 0.000000 0.000000 
1 1 1    0    0    5 o  2134.46   28.649 15785.37  423.063 15785.37  423.063 15785.37  423.063  2134.46   28.649  2134.46   28.649 0.000000 0.000000 
1 1 1    0    0    6 o  269.273   5.5483  251.247   10.330  251.247   10.330  251.247   10.330  269.273   5.5483  269.273   5.5483 0.000000 0.000000 
1 1 1    0    0    7 o  289.653   5.7616  290.702   11.540  290.702   11.540  290.702   11.540  289.653   5.7616  289.653   5.7616 0.000000 0.000000 
1 1 1    0    0    8 o  402.370   6.1500  560.755   17.118  560.755   17.118  560.755   17.118  402.370   6.1500  402.370   6.1500 0.000000 0.000000 
1 1 1    0    0    9 o   45.380   19.861   10.233   6.5013   10.233   6.5013   10.233   6.5013   45.380   19.861   45.380   19.861 0.000000 0.000000 
1 1 1    0    0   10 o  363.861   6.2592  458.624   15.752  458.624   15.752  458.624   15.752  363.861   6.2592  363.861   6.2592 0.000000 0.000000 
1 1 1    0    0   11 o  746.701   11.898  1931.71   61.454  1931.71   61.454  1931.71   61.454  746.701   11.898  746.701   11.898 0.000000 0.000000 
1 1 1    0    0   12 o  542.162   7.1649  1017.89   26.875  1017.89   26.875  1017.89   26.875  542.162   7.1649  542.162   7.1649 0.000000 0.000000 
1 1 1    0    0   13 o  274.498   7.1772  261.347   13.614  261.347   13.614  261.347   13.614  274.498   7.1772  274.498   7.1772 0.000000 0.000000 
1 1 1    0    0   14 o  224.225   11.674  175.561   18.004  175.561   18.004  175.561   18.004  224.225   11.674  224.225   11.674 0.000000 0.000000 
1 1 1    0    0   15 o   59.302   24.891   17.265   10.267   17.265   10.267   17.265   10.267   59.302   24.891   59.302   24.891 0.000000 0.000000 
1 1 1    0    0   16 o   26.440   17.886  -4.7023   9.6435  -4.7023   9.6435  -4.7023   9.6435   26.440   17.886   26.440   17.886 0.000000 0.000000 
1 1 1    0    0   17 f  196.799   12.698  136.439   17.131  136.439   17.131  136.439   17.131  196.799   12.698  196.799   12.698 0.000000 0.000000 
1 1 1    0    0   18 o   32.680   20.590   1.9711   9.8423   1.9711   9.8423   1.9711   9.8423   32.680   20.590   32.680   20.590 0.000000 0.000000 
1 1 1    0    0   19 o  313.648   7.6277  342.787   16.536  342.787   16.536  342.787   16.536  313.648   7.6277  313.648   7.6277 0.000000 0.000000 
1 1 1    0    0   20 o  164.924   10.662   96.743   12.053   96.743   12.053   96.743   12.053  164.924   10.662  164.924   10.662 0.000000 0.000000 
1 1 1    0    0   21 o  101.415   16.734   40.149   10.784   40.149   10.784   40.149   10.784  101.415   16.734  101.415   16.734 0.000000 0.000000 
1 1 1    0    0   22 o  198.497   8.9554  140.856   12.246  140.856   12.246  140.856   12.246  198.497   8.9554  198.497   8.9554 0.000000 0.000000 
1 1 1    0    2    2 o  1733.35   13.534 10399.49  162.369 10296.71  196.669 10619.51  287.754  1724.67   16.476  1751.20   23.741 -26.52771 28.89839 
1 1 1    0    2    3 o  2445.48   16.295 20702.14  275.801 20629.55  388.496 20775.89  391.604  2440.79   22.997  2449.43   23.100 -8.635010 32.59567 
1 1 1    0    2    4 o  1733.76   11.748 10404.11  140.966 10176.45  194.443 10656.33  204.661  1714.54   16.386  1754.48   16.854 -39.94189 23.50659 
1 1 1    0    2    5 f  1964.33   13.215 13356.47  179.658 13426.83  255.527 13287.70  252.645  1969.23   18.748  1959.01   18.634 10.22253 26.43320 
1 1 1    0    2    6 o  1541.09   12.187  8221.25  129.987  8058.54  220.399  8308.03  160.962  1525.32   20.877  1549.09   15.013 -23.76526 25.71479 
1 1 1    0    2    7 o  894.504   7.6739  2769.53   47.509  2838.05   84.003  2737.30   57.607  905.300   13.407  889.238   9.3602 16.06226 16.35099 
1 1 1    0    2    8 o  664.802   5.4307  1529.74   24.988  1554.98   35.798  1505.75   34.896  670.198   7.7174  659.505   7.6450 10.69305 10.86305 
1 1 1    0    2    9 o  619.936   5.2437  1330.18   22.499  1349.01   32.151  1312.11   31.496  624.256   7.4414  615.661   7.3916 8.595093 10.48859 
1 1 1    0    2   10 o  767.430   6.0190  2038.41   31.970  2029.75   45.018  2047.22   45.409  765.739   8.4943  769.027   8.5315 -3.287476 12.03912 
1 1 1    0    2   11 o  1035.97   7.5476  3714.74   54.117  3709.15   76.420  3720.36   76.647  1035.09   10.667  1036.65   10.683 -1.562622 15.09674 
1 1 1    0    2   12 o  378.896   5.3984  496.860   14.157  518.537   25.082  486.726   17.150  387.032   9.3635  375.003   6.6076 12.02936 11.46015 
1 1 1    0    2   13 o  490.596   5.7434  833.039   19.502  820.488   33.306  839.587   24.057  486.810   9.8853  492.501   7.0575 -5.690765 12.14608 
1 1 1    0    2   14 o  446.187   5.0012  689.054   15.444  699.498   22.059  679.010   21.631  449.519   7.0902  442.888   7.0566 6.631348 10.00335 
1 1 1    0    2   15 o  604.744   5.4825  1265.94   22.947  1250.41   32.174  1282.01   32.737  600.941   7.7356  608.486   7.7735 -7.544495 10.96662 
1 1 1    0    2   16 o  283.187   5.3299  277.639   10.447  277.476   14.670  277.807   14.880  283.045   7.4883  283.211   7.5913 -0.1658020 10.66318 
1 1 1    0    2   17 o  371.375   5.0566  477.562   12.997  470.928   18.196  484.472   18.571  368.679   7.1310  373.940   7.1756 -5.261230 10.11630 
1 1 1    0    2   18 o  109.003   11.412   41.737   8.4821   53.122   14.840   36.212   10.337  121.962   18.132  100.798   15.298 21.16418 23.72317 
1 1 1    0    2   19 o   97.323   16.460   34.052   10.692   0.0000   0.0000   34.052   10.692  ?   ?    97.323   16.460 0.000000 16.45987 
1 1 1    0    2   20 o   82.622   13.839   24.515   7.6337   32.880   10.910   16.492   10.685   95.262   17.179   67.995   20.783 27.26672 26.96367 
1 1 1    0    2   21 o  183.181   6.7101  116.524   8.5071  107.132   12.295  125.149   11.783  174.956   10.198  189.579   8.9801 -14.62317 13.58840 
1 1 1    0    2   22 o  117.888   13.282   49.568   10.648   49.568   10.648   0.0000   0.0000  117.888   13.282  ?   ?  0.000000 13.28236 
1 1 1    0    4    1 o  1306.23   12.779  5905.70  115.533  5975.61  165.363  5839.02  161.483  1313.82   18.186  1298.72   17.965 15.09595 25.56294 
1 1 1    0    4    2 o  3411.18   26.072 40300.02  615.548 40723.00  763.107 39512.20  1041.45  3428.32   32.161  3375.08   44.584 53.24512 54.97300 
1 1 1    0    4    3 o  1787.07   12.074 11053.76  149.344 11002.27  210.127 11106.33  212.298  1782.74   17.030  1791.15   17.125 -8.407349 24.15150 
1 1 1    0    4    4 f  1700.67   11.536 10010.72  135.783  9898.04  189.653 10129.22  194.490  1690.92   16.205  1710.55   16.428 -19.62439 23.07579 
1 1 1    0    4    5 o  2583.27   17.197 23104.00  307.474 23155.98  435.875 23052.50  433.801  2585.57   24.357  2579.80   24.296 5.777344 34.40275 
1 1 1    0    4    6 o  1205.40   9.7907  5029.18   81.681  5039.02  142.051  5024.32   99.837  1206.33   17.014  1204.76   11.973 1.574951 20.80462 
1 1 1    0    4    7 o  1261.47   8.8303  5508.52   77.096  5460.48  108.044  5558.34  110.044  1255.77   12.431  1266.97   12.549 -11.19556 17.66416 
1 1 1    0    4    8 o  923.601   6.8375  2952.94   43.708  2925.85   61.292  2980.96   62.345  919.211   9.6342  927.823   9.7087 -8.611816 13.67756 
1 1 1    0    4    9 o  729.097   6.7068  1840.06   33.844  1884.00   42.167  1760.49   56.737  737.704   8.2587  712.980   11.498 24.72357 14.15639 
1 1 1    0    4   10 o  608.005   6.0176  1279.46   25.323  1293.10   31.307  1253.66   43.065  611.213   7.4006  601.754   10.340 9.459656 12.71566 
1 1 1    0    4   11 o  496.358   4.8326  852.654   16.602  864.851   23.682  840.868   23.280  499.876   6.8452  492.896   6.8241 6.979340 9.665649 
1 1 1    0    4   12 o  1891.28   12.825 12385.67  167.882 12493.80  239.680 12281.52  235.226  1898.93   18.237  1882.75   18.052 16.17810 25.66004 
1 1 1    0    4   13 o  708.196   5.8430  1735.91   28.640  1754.10   40.890  1718.39   40.125  711.837   8.2997  704.555   8.2286 7.282593 11.68741 
1 1 1    0    4   14 o  137.071   8.1112   65.275   7.6607   69.144   10.951   61.567   10.720  140.838   11.331  132.800   11.786 8.037903 16.34912 
1 1 1    0    4   15 o  257.808   6.3567  230.095   11.342  228.620   13.761  233.219   20.030  256.957   7.7378  259.450   11.155 -2.492523 13.57578 
1 1 1    0    4   16 o  389.179   5.7187  524.402   15.404  546.336   19.150  484.195   25.926  397.187   6.9661  373.768   10.022 23.41885 12.20540 
1 1 1    0    4   17 o  335.984   5.0964  390.885   11.851  384.016   16.601  398.025   16.924  332.918   7.2046  338.936   7.2147 -6.017639 10.19598 
1 1 1    0    4   18 o   78.506   14.019   22.103   7.3377   31.639   10.476   12.918   10.281   93.811   16.749   62.138   20.549 31.67326 26.51008 
1 1 1    0    4   19 o  193.613   6.5193  129.968   8.7359  123.782   12.224  136.426   12.489  188.760   9.3570  198.187   9.1049 -9.427139 13.05574 
1 1 1    0    4   20 o  146.121   7.9521   74.382   8.0119   62.719   11.462   85.526   11.204  133.428   12.559  156.367   10.412 -22.93831 16.31393 
1 1 1    0    4   21 o  230.384   6.9402  184.364   11.066  194.215   13.710  165.951   18.745  236.256   8.3848  217.317   12.516 18.93877 15.06464 
1 1 1    0    4   22 o   72.144   15.178   19.108   7.3388   29.285   10.139   7.9074   10.637   89.257   17.033   54.150   20.568 35.10692 26.70526 
1 1 1    0    6    0 o  2883.49   27.034 28785.00  539.507 29156.10  773.908 28434.15  752.500  2901.39   38.540  2865.28   37.946 36.10913 54.08491 
1 1 1    0    6    1 o  904.857   7.6209  2833.58   47.727  2847.32   83.172  2826.84   58.277  906.985   13.250  903.764   9.3167 3.220764 16.19730 
1 1 1    0    6    2 o  1909.04   18.183 12616.83  240.253 12653.66  340.926 12580.49  338.622  1911.44   25.770  1905.91   25.671 5.528687 36.37434 
1 1 1    0    6    3 f  1233.96   12.177  5270.21  103.995  5270.21  103.995   0.0000   0.0000  1233.96   12.177  ?   ?  0.000000 12.17690 
1 1 1    0    6    4 o  1864.98   12.581 12039.05  162.398 12032.55  229.425 12045.57  229.908  1864.28   17.781  1865.28   17.809 -1.007202 25.16565 
1 1 1    0    6    5 o  980.155   8.2176  3324.94   55.746  3411.22   99.266  3285.20   67.374  992.676   14.448  974.253   9.9918 18.42297 17.56665 
1 1 1    0    6    6 o  2344.35   18.088 19033.47  293.492 18907.32  504.206 19098.12  360.943  2334.84   31.201  2347.88   22.212 -13.03931 38.30000 
1 1 1    0    6    7 o  293.621   8.4785  298.439   17.230  298.439   17.230   0.0000   0.0000  293.621   8.4785  ?   ?  0.000000 8.478518 
1 1 1    0    6    8 o  500.654   4.6809  867.537   16.220  896.317   23.427  841.041   22.478  508.851   6.6521  492.912   6.5890 15.93869 9.362940 
1 1 1    0    6    9 o  613.064   7.2934  1301.02   30.947  1330.73   44.489  1273.17   43.076  619.932   10.369  606.379   10.264 13.55219 14.58978 
1 1 1    0    6   10 o  1205.30   8.5379  5028.82   71.223  5018.25  100.573  5039.46  100.877  1203.85   12.071  1206.39   12.082 -2.541382 17.07829 
1 1 1    0    6   11 o  419.346   4.6276  608.588   13.431  599.865   18.830  617.622   19.163  416.314   6.5350  422.431   6.5544 -6.116791 9.255602 
1 1 1    0    6   12 o  2038.42   15.878 14392.70  224.016 14395.12  387.830 14391.48  274.425  2036.67   27.513  2037.85   19.457 -1.180298 33.69805 
1 1 1    0    6   13 o  1074.48   9.0363  3996.91   67.199  4100.00  119.768  3949.55   81.182  1087.78   15.908  1067.99   10.983 19.78931 19.33120 
1 1 1    0    6   14 o  291.776   5.2044  294.663   10.510  292.103   14.922  297.183   14.805  290.478   7.4223  292.995   7.3008 -2.516266 10.41121 
1 1 1    0    6   15 o  497.966   5.1519  858.339   17.756  874.190   25.202  842.717   25.020  502.480   7.2468  493.349   7.3275 9.131073 10.30572 
1 1 1    0    6   16 o  534.358   6.0723  988.699   22.457  986.353   27.255  993.659   39.633  533.650   7.3793  535.369   10.696 -1.719543 12.99457 
1 1 1    0    6   17 f  207.600   6.0659  149.274   8.7156  167.923   12.405  131.091   12.248  220.109   8.1426  194.440   9.1016 25.66975 12.21234 
1 1 1    0    6   18 o  290.153   6.0915  291.701   12.233  294.780   21.259  290.177   14.957  291.321   10.544  289.303   7.4700 2.017242 12.92189 
1 1 1    0    6   19 o  203.030   7.3382  142.996   10.312  126.732   17.414  151.777   12.796  190.154   13.316  209.057   8.8437 -18.90341 15.98523 
1 1 1    0    6   20 o  121.220   9.1308   51.390   7.6042   50.247   10.546   52.628   10.975  119.212   12.992  121.992   13.209 -2.779884 18.52795 
1 1 1    0    6   21 o  164.959   8.3948   94.930   9.5527   99.995   11.846   85.512   16.154  169.001   10.175  155.077   15.248 13.92349 18.33084 
1 1 1    0    6   22 o   35.926   15.682  -1.2173   7.3622   0.0507   10.001  -2.7177   10.878   43.417   18.611   42.536   18.797 0.8814354 26.45170 
1 1 1    0    8    0 o  1715.30   16.421 10183.53  194.948 10014.63  270.575 10365.85  281.122  1700.89   22.985  1730.45   23.473 -29.55701 32.85191 
1 1 1    0    8    1 o  1641.47   11.144  9325.67  126.605  9295.03  178.403  9356.76  179.696  1638.66   15.730  1644.09   15.792 -5.430298 22.28970 
1 1 1    0    8    2 o  1836.34   14.327 11672.48  182.086 11458.54  308.618 11786.72  225.521  1818.99   24.514  1845.18   17.659 -26.19385 30.21229 
1 1 1    0    8    3 o  2129.88   20.200 15706.85  297.777 15648.78  419.444 15765.85  422.819  2125.38   28.514  2133.30   28.637 -7.926025 40.41196 
1 1 1    0    8    4 o  970.519   8.1361  3259.84   54.651  3243.15   66.479  3294.63   95.983  968.008   9.9227  975.589   14.215 -7.581177 17.33581 
1 1 1    0    8    5 o  1531.11   14.828  8115.69  157.134  7951.22  216.842  8297.56  228.020  1515.24   20.677  1547.86   21.285 -32.61450 29.67435 
1 1 1    0    8    6 o  1456.56   10.024  7343.71  101.056  7298.80  141.973  7389.84  143.876  1451.92   14.128  1460.94   14.229 -9.022217 20.05178 
1 1 1    0    8    7 o  420.839   4.3194  612.941   12.581  613.618   17.823  612.269   17.762  421.052   6.1160  420.589   6.1018 0.4627686 8.639277 
1 1 1    0    8    8 f  951.921   7.0008  3136.88   46.124  3203.59   66.548  3075.21   63.987  961.817   9.9968  942.362   9.8106 19.45544 14.00657 
1 1 1    0    8    9 o  274.139   6.1507  260.120   11.670  260.120   11.670   0.0000   0.0000  274.139   6.1507  ?   ?  0.000000 6.150681 
1 1 1    0    8   10 o  613.239   6.1084  1301.58   25.926  1318.30   31.936  1269.27   44.399  617.142   7.4769  605.490   10.595 11.65186 12.96738 
1 1 1    0    8   11 o  411.279   5.2614  585.412   14.977  601.951   25.650  576.858   18.448  417.012   8.8872  408.253   6.5288 8.759125 11.02755 
1 1 1    0    8   12 o  1657.75   11.348  9514.75  130.205  9548.73  184.950  9481.36  183.335  1660.29   16.095  1654.43   16.011 5.859009 22.70256 
1 1 1    0    8   13 o  818.675   6.3960  2319.86   36.241  2349.85   51.903  2291.34   50.626  823.859   9.1025  813.543   8.9911 10.31616 12.79435 
1 1 1    0    8   14 o  307.147   5.9443  326.549   12.636  336.585   22.693  322.038   15.213  311.750   10.517  305.001   7.2069 6.748993 12.74957 
1 1 1    0    8   15 o  494.702   5.1563  847.133   17.655  854.235   25.021  840.091   24.914  496.706   7.2783  492.575   7.3081 4.130157 10.31416 
1 1 1    0    8   16 f  275.009   5.3925  261.847   10.264  248.823   14.359  275.454   14.677  268.014   7.7410  282.000   7.5198 -13.98602 10.79213 
1 1 1    0    8   17 f  223.852   6.6158  173.594   10.250  170.293   17.248  175.396   12.744  221.199   11.304  224.947   8.1858 -3.747665 13.95681 
1 1 1    0    8   18 o  155.394   7.4667   83.723   8.0305   84.488   11.436   82.978   11.279  155.586   10.685  154.188   10.635 1.397552 15.07507 
1 1 1    0    8   19 o  178.261   6.7514  110.198   8.3297  116.537   11.764  103.824   11.796  182.909   9.3240  172.539   9.9194 10.36980 13.61362 
1 1 1    0    8   20 o  262.299   6.4165  238.688   11.648  251.854   21.040  232.869   13.988  268.726   11.313  258.926   7.8054 9.799927 13.74402 
1 1 1    0    8   21 o  166.708   7.1878   96.572   8.2933   89.388   11.610  104.058   11.851  159.667   10.566  172.439   9.9725 -12.77261 14.52861 
1 1 1    0    8   22 o  149.634   8.1748   78.279   8.4341   79.800   11.618   76.584   12.264  150.412   11.241  147.097   12.155 3.314697 16.55606 
1 1 1    0   10    0 o  1178.44   11.687  4806.20   95.322  4825.37  135.317  4787.32  134.300  1180.74   16.559  1176.08   16.499 4.663574 23.37538 
1 1 1    0   10    1 o  454.075   4.2172  713.529   13.253  697.255   18.480  730.764   19.018  448.862   5.9484  459.521   5.9798 -10.65924 8.434548 
1 1 1    0   10    2 o  210.913   7.4172  153.951   10.827  153.951   10.827   0.0000   0.0000  210.913   7.4172  ?   ?  0.000000 7.417238 
1 1 1    0   10    3 o  507.772   6.5079  892.296   22.871  901.463   32.604  883.415   32.091  510.358   9.2304  505.224   9.1774 5.134583 13.01637 
1 1 1    0   10    4 o  1655.03   15.954  9482.62  182.745  9595.12  261.738  9375.61  255.264  1664.49   22.720  1645.36   22.416 19.13257 31.91649 
1 1 1    0   10    5 o  716.316   5.6196  1775.75   27.860  1728.89   31.289  1955.12   61.214  706.794   6.3962  751.547   11.768 -44.75281 13.39423 
1 1 1    0   10    6 o  514.325   4.6425  915.483   16.526  922.362   23.491  908.742   23.253  516.237   6.5747  512.411   6.5566 3.825500 9.285264 
1 1 1    0   10    7 o  835.810   6.3173  2418.02   36.544  2399.88   51.318  2436.69   52.053  832.577   8.9057  838.935   8.9647 -6.357727 12.63638 
1 1 1    0   10    8 o  824.331   8.8794  2352.79   50.660  2413.66   74.151  2299.51   69.375  834.682   12.836  814.743   12.303 19.93866 17.77956 
1 1 1    0   10    9 o  729.233   5.8075  1840.57   29.311  1925.97   43.027  1766.61   40.039  745.894   8.3347  714.377   8.0980 31.51685 11.62084 
1 1 1    0   10   10 o  1109.85   9.1714  4263.96   70.449  4279.02  121.931  4256.41   86.314  1111.45   15.851  1108.78   11.248 2.678467 19.43575 
1 1 1    0   10   11 o  485.492   5.6162  815.752   18.871  808.194   22.800  832.195   33.630  483.226   6.8171  490.305   9.9101 -7.079590 12.02842 
1 1 1    0   10   12 o  869.305   6.6260  2615.58   39.866  2603.93   56.189  2627.38   56.571  867.292   9.3607  871.188   9.3822 -3.896057 13.25321 
1 1 1    0   10   13 o  1424.56   9.9158  7026.52   97.765  7106.58  139.992  6950.29  136.592  1432.27   14.122  1416.45   13.933 15.81726 19.83858 
1 1 1    0   10   14 o  698.029   6.6977  1686.69   32.357  1697.10   40.120  1667.32   54.730  700.120   8.2797  693.795   11.398 6.325378 14.08757 
1 1 1    0   10   15 o  345.698   4.9698  413.670   11.891  417.327   16.822  410.019   16.811  347.178   7.0007  344.123   7.0582 3.054932 9.941181 
1 1 1    0   10   16 o  325.707   5.0754  367.277   11.441  370.146   16.317  364.501   16.047  326.903   7.2116  324.404   7.1473 2.499969 10.15339 
1 1 1    0   10   17 o  321.835   5.9686  358.760   13.295  366.526   16.151  342.439   23.415  325.234   7.1750  314.109   10.770 11.12427 12.94141 
1 1 1    0   10   18 o  188.691   6.3632  123.386   8.3101  119.117   11.537  127.989   11.980  185.266   8.9974  192.042   9.0133 -6.775024 12.73548 
1 1 1    0   10   19 o  387.179   5.0724  519.395   13.593  539.099   19.438  500.537   19.015  394.223   7.1240  379.848   7.2330 14.37531 10.15223 
1 1 1    0   10   20 o  236.220   5.7775  193.501   9.4456  182.873   13.151  204.826   13.575  229.389   8.2836  242.793   8.0785 -13.40364 11.57063 
1 1 1    0   10   21 o  219.731   6.0856  167.587   9.2549  153.260   12.675  183.948   13.545  209.793   8.7295  229.875   8.5135 -20.08162 12.19357 
1 1 1    0   12    0 o  1201.02   11.895  4992.16   98.879  4956.10  138.851  5029.27  140.844  1196.62   16.765  1205.42   16.882 -8.799438 23.79239 
1 1 1    0   12    1 o  1193.81   9.6592  4932.53   79.809  4853.57   96.161  5107.32  143.068  1184.18   11.733  1214.62   17.019 -30.44104 20.67113 
1 1 1    0   12    2 o  2996.09   19.870 31080.53  412.022 30965.03  580.220 31198.01  585.185  2989.73   28.040  3000.95   28.175 -11.21094 39.75009 
1 1 1    0   12    3 o  536.080   9.5463  994.634   35.419  994.634   35.419   0.0000   0.0000  536.080   9.5463  ?   ?  0.000000 9.546264 
1 1 1    0   12    4 o  1015.54   14.767  3570.24  103.792   0.0000   0.0000  3570.24  103.792  ?   ?   1015.54   14.767 0.000000 14.76695 
1 1 1    0   12    5 o  2025.80   15.756 14209.43  220.909 14000.44  266.071 14673.17  396.343  2010.58   19.120  2057.40   27.834 -46.81128 33.76870 
1 1 1    0   12    6 o  1242.37   8.7150  5342.85   74.937  5290.18   85.518  5517.07  155.531  1236.18   9.9954  1261.90   17.808 -25.71875 20.42136 
1 1 1    0   12    7 o  540.753   5.6111  1012.12   21.000  995.624   25.137  1050.24   38.210  536.303   6.7722  550.722   10.025 -14.41821 12.09782 
1 1 1    0   12    8 o  422.822   6.2070  618.824   18.164   0.0000   0.0000  618.824   18.164  ?   ?   422.822   6.2070 0.000000 6.207002 
1 1 1    0   12    9 o  391.664   5.1929  530.919   14.077  544.390   25.790  525.203   16.800  396.546   9.3967  389.539   6.2313 7.006714 11.27508 
1 1 1    0   12   10 o  888.963   9.3392  2735.60   57.461  2740.49   81.373  2730.73   81.151  889.615   13.216  888.031   13.203 1.584351 18.68137 
1 1 1    0   12   11 o  878.250   6.6625  2669.62   40.498  2723.31   58.349  2619.72   56.255  886.968   9.5049  869.939   9.3431 17.02911 13.32804 
1 1 1    0   12   12 o  816.590   6.3497  2307.96   35.887  2332.08   51.269  2284.80   50.250  820.774   9.0251  812.415   8.9367 8.359680 12.70107 
1 1 1    0   12   13 o  763.171   6.1049  2015.96   32.246  2025.06   45.833  2007.05   45.376  764.810   8.6586  761.403   8.6106 3.406921 12.21127 
1 1 1    0   12   14 o  446.098   4.9638  688.793   15.326  704.231   22.083  674.447   21.287  451.026   7.0741  441.388   6.9682 9.638123 9.929658 
1 1 1    0   12   15 o  301.998   5.9931  315.741   12.526  343.756   23.703  304.885   14.755  314.964   10.873  296.734   7.1846 18.23010 13.03259 
1 1 1    0   12   16 o  396.656   5.6635  544.788   15.548  582.927   27.231  526.341   18.938  410.082   9.5944  389.822   7.0194 20.26022 11.88799 
1 1 1    0   12   17 o  158.372   7.0711   86.911   7.7507   87.490   10.808   86.299   11.121  158.491   9.9022  157.366   10.267 1.125458 14.26434 
1 1 1    0   12   18 o  216.835   6.9046  162.989   10.362  166.800   12.365  154.000   18.991  219.281   8.1473  209.894   13.139 9.387619 15.45979 
1 1 1    0   12   19 o  170.665   7.6316  101.079   9.0143  107.312   11.268   90.000   15.023  175.484   9.3112  159.970   13.701 15.51372 16.56540 
1 1 1    0   12   20 o   80.853   12.963   23.420   7.0088   17.039   9.7979   30.107   10.030   68.493   19.647   91.144   16.508 -22.65178 25.66135 
1 1 1    0   12   21 o  184.492   7.8653  118.400   10.043  103.756   17.848  125.185   12.149  170.855   15.254  189.515   9.2622 -18.66046 17.84597 
1 1 1    0   14    0 o  2859.06   27.045 28301.43  535.160 25702.44  671.672 32819.51  885.589  2724.12   35.625  3077.78   41.574 -353.6594 54.74939 
1 1 1    0   14    1 f  768.862   5.8758  2045.81   31.267  2037.72   44.049  2054.01   44.391  767.324   8.2943  770.384   8.3254 -3.060120 11.75198 
1 1 1    0   14    2 o  1598.53   10.897  8844.33  120.565  8739.39  168.311  8954.92  172.788  1588.89   15.305  1608.35   15.522 -19.46606 21.79890 
1 1 1    0   14    3 o  1899.73   14.795 12493.40  194.535 12629.27  340.486 12427.56  237.033  1909.35   25.765  1894.55   18.077 14.80115 31.47427 
1 1 1    0   14    4 o  891.617   7.6461  2751.39   47.184  2653.66   79.491  2804.55   58.630  875.543   13.118  900.164   9.4107 -24.62061 16.14441 
1 1 1    0   14    5 o  866.585   13.110  2600.00   78.630  2600.00   78.630   0.0000   0.0000  866.585   13.110  ?   ?  0.000000 13.10986 
1 1 1    0   14    6 o  791.705   6.0584  2169.45   33.197  2156.98   37.935  2210.24   68.598  789.404   6.9433  798.890   12.406 -9.485229 14.21720 
1 1 1    0   14    7 o  682.231   5.5074  1611.02   26.005  1601.17   29.643  1643.90   54.176  680.121   6.2973  688.923   11.362 -8.801941 12.99060 
1 1 1    0   14    8 o  879.544   6.6035  2677.75   40.199  2718.46   46.865  2564.39   78.199  886.168   7.6411  860.411   13.132 25.75714 15.19289 
1 1 1    0   14    9 o  1098.89   11.169  4181.04   84.947  4181.04   84.947   0.0000   0.0000  1098.89   11.169  ?   ?  0.000000 11.16908 
1 1 1    0   14   10 o  1169.36   8.3187  4733.12   67.326  4739.45   95.378  4726.83   95.048  1170.00   11.778  1168.44   11.753 1.557617 16.63944 
1 1 1    0   14   11 o  846.278   6.4869  2478.77   37.995  2489.45   53.956  2468.27   53.514  848.035   9.1928  844.422   9.1564 3.613220 12.97494 
1 1 1    0   14   12 o  601.707   6.1960  1253.11   25.803  1261.75   31.393  1235.12   45.304  603.753   7.5127  597.263   10.960 6.490112 13.28736 
1 1 1    0   14   13 o  479.925   5.6203  797.215   18.669  810.321   23.378  774.146   31.015  483.829   6.9813  472.848   9.4771 10.98077 11.77091 
1 1 1    0   14   14 o  1179.79   8.4568  4819.56   69.054  4895.99   99.235  4747.81   96.152  1188.76   12.061  1170.65   11.867 18.10583 16.92072 
1 1 1    0   14   15 o  492.389   5.7735  839.347   19.676  887.805   34.775  816.531   23.862  506.201   9.9260  485.600   7.0999 20.60104 12.20383 
1 1 1    0   14   16 o  477.090   5.9281  788.211   19.575  796.585   35.065  784.420   23.593  479.263   10.571  475.867   7.1634 3.396149 12.76957 
1 1 1    0   14   17 o  373.499   4.9534  483.082   12.805  477.343   17.870  489.136   18.356  371.152   6.9567  375.701   7.0594 -4.549438 9.911146 
1 1 1    0   14   18 o  308.481   5.1109  329.633   10.912  322.597   15.231  337.052   15.641  305.022   7.2147  311.778   7.2484 -6.756317 10.22701 
1 1 1    0   14   19 o  385.888   5.0005  515.959   13.355  521.651   18.787  510.145   18.989  387.777   7.0001  383.456   7.1548 4.321533 10.00962 
1 1 1    0   14   20 o  175.082   6.6900  106.393   8.1068  104.691   11.261  108.223   11.680  173.172   9.4308  176.047   9.6227 -2.874603 13.47350 
1 1 1    0   14   21 o  207.805   8.5224  150.379   12.257  150.379   12.257   0.0000   0.0000  207.805   8.5224  ?   ?  0.000000 8.522443 
1 1 1    0   16    0 o  639.132   7.3635  1413.66   32.573  1341.95   44.185  1499.02   48.207  622.699   10.252  658.132   10.583 -35.43298 14.73474 
1 1 1    0   16    1 o  1443.20   9.9288  7208.86   99.175  7160.90  139.234  7258.25  141.298  1438.29   13.987  1448.03   14.099 -9.740112 19.85968 
1 1 1    0   16    2 o  534.275   5.4475  987.865   20.144  970.732   34.775  996.517   24.712  529.596   9.4872  536.603   6.6539 -7.007385 11.58803 
1 1 1    0   16    3 o  1204.91   8.4655  5024.73   70.597  4897.43   97.207  5166.81  102.697  1189.47   11.808  1221.74   12.145 -32.26599 16.93889 
1 1 1    0   16    4 o  655.337   5.3125  1486.30   24.096  1464.47   33.666  1509.22   34.502  650.486   7.4779  660.349   7.5491 -9.863464 10.62582 
1 1 1    0   16    5 o  814.504   7.1762  2296.23   40.454  2204.88   68.188  2345.85   50.253  797.990   12.346  823.218   8.8201 -25.22748 15.17317 
1 1 1    0   16    6 o  380.706   5.8294  501.668   15.360  501.668   15.360   0.0000   0.0000  380.706   5.8294  ?   ?  0.000000 5.829354 
1 1 1    0   16    7 o  508.042   4.6769  893.326   16.445  883.153   18.573  930.244   35.382  505.130   5.3125  518.301   9.8633 -13.17120 11.20298 
1 1 1    0   16    8 o  255.492   5.2252  225.924   9.2397  226.755   10.939  223.854   17.262  255.955   6.1747  254.275   9.8089 1.680191 11.59061 
1 1 1    0   16    9 o  1048.38   7.5974  3804.36   55.126  3806.59   63.528  3797.56  110.914  1048.65   8.7531  1047.08   15.305 1.569824 17.63120 
1 1 1    0   16   10 o  482.587   5.6254  806.019   18.789  825.308   23.000  767.317   32.579  488.316   6.8052  470.804   9.9981 17.51123 12.09433 
1 1 1    0   16   11 o  501.038   6.8860  868.887   23.879  868.887   23.879   0.0000   0.0000  501.038   6.8860  ?   ?  0.000000 6.885985 
1 1 1    0   16   12 o  585.808   5.9762  1187.77   24.230  1163.87   29.671  1235.61   41.981  579.858   7.3933  597.394   10.153 -17.53583 12.55998 
1 1 1    0   16   13 o  323.155   5.6727  361.457   12.688  351.274   14.920  388.049   24.111  318.557   6.7673  334.750   10.407 -16.19385 12.41361 
1 1 1    0   16   14 o  470.241   4.9858  765.386   16.227  770.871   23.074  760.019   22.824  471.872   7.0652  468.539   7.0384 3.332245 9.972755 
1 1 1    0   16   15 o  160.645   10.046   89.775   11.114   89.775   11.114   0.0000   0.0000  160.645   10.046  ?   ?  0.000000 10.04633 
1 1 1    0   16   16 o  185.850   6.4757  119.632   8.3296  114.984   11.526  124.714   12.051  181.893   9.1853  189.673   9.1801 -7.780014 12.98633 
1 1 1    0   16   17 o  132.213   7.9496   60.820   7.2406   68.217   10.270   53.512   10.209  139.764   10.699  123.504   12.099 16.25964 16.15067 
1 1 1    0   16   18 o  215.721   6.4415  161.302   9.6174  158.376   11.949  166.683   16.207  213.656   8.0803  218.976   10.694 -5.320496 13.40310 
1 1 1    0   16   19 o  278.544   6.0854  269.013   11.732  269.836   14.233  267.268   20.720  278.843   7.3749  277.064   10.805 1.779724 13.08193 
1 1 1    0   16   20 f  224.246   6.4674  174.517   10.038  169.805   16.267  177.414   12.756  220.659   10.651  225.909   8.1582 -5.249680 13.41662 
1 1 1    0   16   21 o   96.288   10.830   32.818   7.0920   33.172   9.5901   32.391   10.536   95.881   14.938   94.252   16.765 1.628586 22.45506 
1 1 1    0   18    0 o  1955.32   18.628 13234.60  252.098 13126.83  353.345 13346.34  359.783  1947.06   26.221  1963.26   26.478 -16.20093 37.26406 
1 1 1    0   18    1 o  1993.76   15.499 13761.84  213.874 13558.05  257.546 14214.63  383.893  1978.75   18.806  2025.39   27.386 -46.64185 33.22091 
1 1 1    0   18    2 o  760.239   6.7663  2000.25   35.602  1920.00   59.090  2045.99   44.608  744.770   11.463  768.863   8.3827 -24.09247 14.20147 
1 1 1    0   18    3 o  931.618   6.8442  3003.79   44.130  2913.76   60.612  3105.35   64.377  917.503   9.5450  947.183   9.8202 -29.67932 13.69466 
1 1 1    0   18    4 o  1106.82   11.153  4241.07   85.438  4241.07   85.438   0.0000   0.0000  1106.82   11.153  ?   ?  0.000000 11.15306 
1 1 1    0   18    5 o  1219.77   8.5891  5150.63   72.510  5056.49  100.589  5252.47  104.620  1208.35   12.028  1231.53   12.274 -23.17468 17.18488 
1 1 1    0   18    6 o  1502.35   11.975  7818.36  124.515  7780.49  214.736  7837.54  152.831  1497.25   20.722  1503.82   14.684 -6.575317 25.39720 
1 1 1    0   18    7 o  439.926   5.2241  669.851   15.906  673.590   19.126  661.463   28.646  441.136   6.2643  437.081   9.4693 4.055176 11.35383 
1 1 1    0   18    8 o  685.341   6.3434  1625.70   30.089  1615.77   35.983  1648.78   54.864  683.217   7.6096  690.046   11.488 -6.828918 13.77944 
1 1 1    0   18    9 o  656.304   5.4504  1490.75   24.758  1483.24   28.186  1516.10   51.798  654.638   6.2208  661.741   11.310 -7.102661 12.90753 
1 1 1    0   18   10 o  1549.40   10.669  8310.70  114.410  8350.33  132.581  8195.12  226.421  1552.98   12.335  1537.71   21.275 15.27649 24.59203 
1 1 1    0   18   11 o  782.053   7.1601  2116.93   38.756  2131.98   47.341  2086.34   67.483  784.791   8.7158  776.224   12.561 8.567444 15.28889 
1 1 1    0   18   12 o  1038.90   8.8125  3736.48   63.365  3704.70   76.602  3805.37  112.769  1034.37   10.700  1047.99   15.547 -13.61853 18.87354 
1 1 1    0   18   13 o  572.017   6.1448  1132.60   24.327  1147.41   29.630  1101.95   42.614  575.712   7.4362  564.070   10.915 11.64130 13.20773 
1 1 1    0   18   14 o  667.560   10.994  1543.90   50.796  1543.90   50.796   0.0000   0.0000  667.560   10.994  ?   ?  0.000000 10.99423 
1 1 1    0   18   15 o   89.516   11.357   28.226   6.8778   14.675   9.3043   44.551   10.212   64.611   19.315  112.529   13.374 -47.91796 23.49385 
1 1 1    0   18   16 f  623.324   5.5347  1345.46   23.877  1311.61   33.092  1382.21   34.487  615.231   7.7715  631.559   7.8898 -16.32800 11.07452 
1 1 1    0   18   17 o  156.540   9.8750   85.390   10.644   84.780   17.370   85.756   13.469  155.030   16.439  156.546   12.537 -1.516525 20.67415 
1 1 1    0   18   18 o  134.463   7.7343   62.929   7.1674   61.457   9.9717   64.502   10.309  132.487   10.973  135.737   11.070 -3.250122 15.58735 
1 1 1    0   18   19 o  263.642   5.3326  240.908   9.7305  240.812   13.788  241.003   13.735  263.384   7.5635  263.491   7.5313 -0.1080017 10.67367 
1 1 1    0   18   20 o  133.139   9.7034   62.074   8.8798   61.939   10.387   62.439   17.116  132.694   11.421  131.276   19.425 1.418335 22.53407 
1 1 1    0   18   21 o  148.583   7.3388   76.786   7.5470   81.789   10.425   71.276   10.940  152.717   9.9166  142.251   11.202 10.46582 14.96093 
1 1 1    0   20    0 o  1372.39   13.450  6519.09  127.753  6370.73  176.353  6682.93  185.320  1356.56   18.783  1389.39   19.272 -32.82751 26.91106 
1 1 1    0   20    1 o  1383.10   11.058  6621.78  105.851  6824.39  189.069  6529.28  127.749  1403.70   19.461  1373.32   13.440 30.38196 23.65121 
1 1 1    0   20    2 o  147.826   5.2835   75.627   5.4057   78.554   6.3763   68.146   10.193  150.658   6.1151  139.908   10.605 10.74986 12.24161 
1 1 1    0   20    3 o  1247.73   8.7507  5388.89   75.569  5190.28  102.671  5623.67  111.631  1224.39   12.116  1274.45   12.656 -50.06543 17.52020 
1 1 1    0   20    4 o  622.675   7.3106  1342.08   31.506  1342.08   31.506   0.0000   0.0000  622.675   7.3106  ?   ?  0.000000 7.310644 
1 1 1    0   20    5 o  788.486   6.0581  2151.97   33.060  2087.39   45.438  2224.63   48.192  776.477   8.4550  801.586   8.6866 -25.10919 12.12201 
1 1 1    0   20    6 o  654.731   6.2559  1483.84   28.349  1508.78   50.866  1472.60   34.143  660.024   11.135  652.207   7.5637 7.817139 13.46095 
1 1 1    0   20    7 o  493.185   7.0159  841.931   23.948  834.146   33.824  849.756   33.911  490.837   9.9567  495.410   9.8901 -4.572998 14.03390 
1 1 1    0   20    8 o  369.983   4.2613  473.744   10.912  469.521   12.159  491.220   24.735  368.327   4.7696  376.690   9.4874 -8.363342 10.61888 
1 1 1    0   20    9 o  519.015   5.6501  932.296   20.296  925.276   24.345  948.293   36.751  517.044   6.8032  523.385   10.145 -6.340576 12.21520 
1 1 1    0   20   10 o  452.317   4.6358  708.052   14.513  697.152   16.223  751.707   32.467  448.818   5.2227  465.989   10.067 -17.17114 11.34089 
1 1 1    0   20   11 o  408.385   5.2385  577.215   14.807  577.215   14.807   0.0000   0.0000  408.385   5.2385  ?   ?  0.000000 5.238495 
1 1 1    0   20   12 o  552.644   5.2096  1057.07   19.926  1070.46   22.825  1014.15   40.857  556.123   5.9301  541.170   10.908 14.95270 12.41600 
1 1 1    0   20   13 o  369.588   5.8203  472.814   14.888  479.866   17.715  455.854   27.474  372.316   6.8747  362.785   10.942 9.530365 12.92220 
1 1 1    0   20   14 o  571.825   7.8015  1132.27   30.876  1194.15   45.629  1080.00   41.934  587.045   11.230  558.307   10.852 28.73773 15.61701 
1 1 1    0   20   15 o  526.337   6.0082  959.251   21.887  961.826   26.450  953.659   38.981  526.972   7.2519  524.461   10.739 2.511353 12.95824 
1 1 1    0   20   16 o  425.288   5.1422  626.308   15.136  622.486   17.261  639.024   31.488  423.948   5.8826  429.145   10.601 -5.196991 12.12409 
1 1 1    0   20   17 o  280.808   5.5045  273.147   10.698  274.627   12.265  268.439   21.873  281.525   6.2948  277.928   11.371 3.596771 12.99687 
1 1 1    0   20   18 f  198.212   13.706  137.707   18.688   0.0000   0.0000  137.707   18.688  ?   ?   198.212   13.706 0.000000 13.70636 
1 1 1    0   20   19 o  195.654   8.1987  132.982   11.102  126.439   14.188  143.317   17.831  190.208   10.822  202.164   12.810 -11.95529 16.76952 
1 1 1    0   20   20 o  155.236   8.5611   84.097   9.1625   86.476   10.690   77.512   17.788  157.208   9.8749  146.932   17.858 10.27541 20.40682 
1 1 1    0   20   21 o   59.283   17.444   12.761   7.6366   6.4790   8.6597   34.737   16.196   49.178   18.587   95.621   24.394 -46.44245 30.66836 
1 1 1    0   22    0 o  636.948   7.4625  1404.08   32.898  1382.93   45.942  1426.34   47.129  632.106   10.501  641.950   10.607 -9.844055 14.92639 
1 1 1    0   22    1 o  693.132   6.4217  1662.79   30.806  1677.77   37.911  1633.66   52.858  696.225   7.8675  686.943   11.118 9.281921 13.61974 
1 1 1    0   22    2 o  1094.51   7.8313  4146.54   59.324  4017.58   81.188  4294.28   86.897  1077.24   10.889  1113.70   11.274 -36.46021 15.67388 
1 1 1    0   22    3 o  485.905   4.5862  817.134   15.424  795.051   21.325  841.358   22.335  479.270   6.4288  493.028   6.5453 -13.75797 9.174415 
1 1 1    0   22    4 o  947.724   8.0168  3109.46   52.585  3031.50   63.039  3287.80   95.347  935.679   9.7343  974.113   14.142 -38.43384 17.16861 
1 1 1    0   22    5 o  809.632   6.1971  2269.01   34.726  2184.75   47.463  2366.06   50.940  794.360   8.6330  826.650   8.9035 -32.29016 12.40165 
1 1 1    0   22    6 o  1240.22   8.7404  5325.14   75.025  5245.82  104.465  5409.65  107.818  1230.69   12.264  1249.74   12.465 -19.05225 17.48692 
1 1 1    0   22    7 o  898.701   7.8237  2795.73   48.663  2851.22   87.227  2770.66   58.637  907.309   13.890  894.605   9.4703 12.70380 16.81164 
1 1 1    0   22    8 o  602.315   5.1656  1255.56   21.534  1268.20   24.672  1215.12   44.122  605.331   5.8889  592.439   10.760 12.89276 12.26647 
1 1 1    0   22    9 o  699.773   6.6163  1694.82   32.044  1681.02   38.516  1725.85   57.754  696.894   7.9854  706.037   11.819 -9.142151 14.26376 
1 1 1    0   22   10 o  541.086   7.0005  1013.34   26.217  1013.34   26.217   0.0000   0.0000  541.086   7.0005  ?   ?  0.000000 7.000539 
1 1 1    0   22   11 o  538.020   5.9085  1001.88   22.001  1023.84   26.764  956.098   38.638  543.867   7.1103  525.490   10.624 18.37689 12.78353 
1 1 1    0   22   12 o  1107.39   9.2997  4245.93   71.276  4303.88   88.095  4136.10  121.280  1114.77   11.418  1092.41   16.041 22.36316 19.68963 
1 1 1    0   22   13 o  507.851   5.1113  892.710   17.966  888.890   20.410  905.854   37.859  506.748   5.8194  511.396   10.696 -4.648071 12.17685 
1 1 1    0   22   14 o  130.747   8.2613   59.441   7.4374   54.532   8.2197   81.610   17.468  125.099   9.5659  152.392   16.843 -27.29295 19.36974 
1 1 1    0   22   15 o  318.778   5.7218  351.870   12.624  350.628   14.871  355.073   23.882  318.177   6.7532  319.982   10.784 -1.804688 12.72365 
1 1 1    0   22   16 o  622.861   6.4348  1343.98   27.740  1343.98   27.740   0.0000   0.0000  622.861   6.4348  ?   ?  0.000000 6.434813 
1 1 1    0   22   17 o  178.427   6.7455  110.346   8.3302  109.222   9.4970  114.098   17.346  177.471   7.7318  180.430   14.000 -2.959015 15.99292 
1 1 1    0   22   18 o  110.105   9.9353   42.482   7.4897   45.594   8.5920   32.634   15.284  113.940   11.034   94.108   23.528 19.83264 25.98701 
1 1 1    0   22   19 o  241.385   6.3979  202.132   10.689  208.835   12.615  185.073   20.125  245.249   7.4320  229.804   12.702 15.44519 14.71669 
1 1 1    0   22   20 o  192.436   6.8251  128.615   9.0901  135.590   10.555  108.585   17.886  197.485   7.7223  175.029   14.907 22.45656 16.78813 
1 1 1    0   22   21 o   62.348   16.388   14.329   7.1646   11.622   8.0789   24.302   15.505   57.267   18.160   80.876   25.088 -23.60876 30.97058 
1 1 1    0   24    0 o  1606.34   15.549  8934.60  172.868  9073.17  248.611  8804.88  240.534  1618.27   22.197  1594.20   21.800 24.07239 31.11182 
1 1 1    0   24    1 o  533.925   4.8284  986.640   17.843  982.240   25.108  991.129   25.361  532.703   6.8099  535.107   6.8478 -2.404297 9.657542 
1 1 1    0   24    2 o  666.862   5.4522  1539.19   25.164  1500.09   34.752  1582.29   36.486  658.285   7.6276  676.074   7.7975 -17.78949 10.90787 
1 1 1    0   24    3 o  1155.86   9.5133  4626.10   76.106  4489.77   90.089  4965.85  142.225  1138.56   11.432  1196.77   17.171 -58.20850 20.62853 
1 1 1    0   24    4 o  1337.90   9.3278  6197.98   86.374  6007.25  118.135  6417.04  126.606  1316.79   12.962  1360.90   13.442 -44.11353 18.67352 
1 1 1    0   24    5 o  1495.13   10.304  7740.62  106.626  7575.43  147.284  7922.54  154.562  1478.65   14.392  1512.09   14.769 -33.44666 20.62138 
1 1 1    0   24    6 o  426.250   5.0051  628.822   14.766  638.537   24.505  623.285   18.502  429.487   8.2439  424.355   6.2995 5.131775 10.37520 
1 1 1    0   24    7 o  107.413   5.4243   40.033   4.0195   45.009   5.5671   34.615   5.8095  113.812   7.1030   99.636   8.5060 14.17558 11.08172 
1 1 1    0   24    8 o  1683.71   16.344  9819.21  190.459  9853.66  270.548  9785.37  268.167  1685.89   23.187  1680.05   23.062 5.835938 32.70321 
1 1 1    0   24    9 o  426.250   4.5075  628.789   13.298  638.126   14.939  593.171   29.179  429.399   5.0268  413.943   10.185 15.45609 11.35780 
1 1 1    0   24   10 o  151.991   6.3750   79.956   6.7062   81.587   7.3357   71.659   16.547  153.531   6.9035  142.802   17.081 10.72913 18.42309 
1 1 1    0   24   11 o  390.746   4.5785  528.425   12.382  519.250   13.718  568.781   28.769  387.334   5.1170  405.305   10.256 -17.97076 11.46150 
1 1 1    0   24   12 f  309.394   5.2372  331.321   11.215  340.367   12.821  301.854   23.140  313.581   5.9073  295.217   11.325 18.36453 12.77332 
1 1 1    0   24   13 o  297.745   8.0548  306.964   16.599  341.463   24.268  276.634   22.754  313.948   11.168  282.565   11.635 31.38321 16.12773 
1 1 1    0   24   14 o  618.159   6.2588  1323.05   26.777  1321.43   32.025  1326.83   48.816  617.709   7.4908  618.662   11.401 -0.9533691 13.64150 
1 1 1    0   24   15 o  510.692   5.1711  903.028   18.278  927.407   21.049  828.293   36.853  517.500   5.8768  488.649   10.897 28.85065 12.38053 
1 1 1    0   24   16 o  301.745   5.7765  315.379   12.064  316.046   14.155  313.610   23.062  302.011   6.7717  300.522   11.088 1.489502 12.99221 
1 1 1    0   24   17 o  288.612   5.3179  288.558   10.623  293.672   12.224  272.780   21.470  291.111   6.0668  280.118   11.074 10.99359 12.62737 
1 1 1    0   24   18 o  183.711   6.6525  117.046   8.4585  118.147   9.6710  113.463   17.447  184.514   7.5730  179.654   14.146 4.860123 16.04592 
1 1 1    0   24   19 o   93.193   12.212   30.842   7.6873   23.664   8.6279   58.488   16.932   80.676   16.017  127.003   19.917 -46.32677 25.55874 
1 1 1    0   24   20 o  202.161   6.5908  141.936   9.2218  148.170   10.610  122.683   18.646  206.454   7.4255  186.122   14.591 20.33281 16.37204 
1 1 1    0   26    0 o  314.859   6.0818  343.109   13.253  308.634   17.869  385.268   19.760  298.604   8.6460  333.623   8.5575 -35.01926 12.16490 
1 1 1    0   26    1 o  591.965   7.2591  1213.08   29.741   0.0000   0.0000  1213.08   29.741  ?   ?   591.965   7.2591 0.000000 7.259144 
1 1 1    0   26    2 o  413.172   4.4383  590.835   12.692  602.715   17.957  578.978   17.940  417.278   6.2179  408.977   6.3380 8.301514 8.878724 
1 1 1    0   26    3 o  287.145   4.2884  285.366   8.5227  278.711   11.756  292.738   12.373  283.761   5.9859  290.812   6.1475 -7.050934 8.580402 
1 1 1    0   26    4 o  708.976   6.6153  1739.88   32.461  1735.46   39.362  1749.27   57.390  708.033   8.0325  710.696   11.667 -2.662781 14.16505 
1 1 1    0   26    5 o  695.390   5.6304  1673.67   27.098  1730.62   39.307  1622.10   37.409  707.065   8.0322  684.541   7.8958 22.52423 11.26323 
1 1 1    0   26    6 o  236.934   6.0184  194.297   9.8693  194.297   9.8693   0.0000   0.0000  236.934   6.0184  ?   ?  0.000000 6.018435 
1 1 1    0   26    7 o  775.142   6.0505  2079.53   32.460  2049.61   45.314  2111.08   46.521  769.495   8.5084  780.948   8.6069 -11.45209 12.10254 
1 1 1    0   26    8 o  1195.06   8.5082  4943.45   70.373  4909.78   98.773  4978.15  100.288  1190.84   11.984  1199.10   12.084 -8.258423 17.01900 
1 1 1    0   26    9 o  1120.69   11.413  4348.31   88.524  4348.31   88.524   0.0000   0.0000  1120.69   11.413  ?   ?  0.000000 11.41301 
1 1 1    0   26   10 o  969.063   7.1747  3250.50   48.121  3231.09   54.923  3314.63   99.829  966.131   8.2137  978.216   14.745 -12.08429 16.87845 
1 1 1    0   26   11 o  666.320   5.5733  1536.70   25.702  1546.60   29.379  1504.39   53.063  668.446   6.3502  659.083   11.633 9.362854 13.25300 
1 1 1    0   26   12 o  241.530   4.9406  201.914   8.2590  204.157   9.0177  190.244   20.571  242.864   5.3648  233.982   12.751 8.882156 13.83327 
1 1 1    0   26   13 o  551.338   5.1845  1052.21   19.784  1075.83   22.718  978.049   40.246  557.472   5.8880  531.304   10.945 26.16791 12.42804 
1 1 1    0   26   14 o  508.994   6.0763  897.061   21.406  927.082   26.256  837.561   36.964  517.373   7.3325  491.514   10.866 25.85910 13.10841 
1 1 1    0   26   15 o  143.906   7.1256   71.746   7.0970   77.808   7.7919   42.234   17.192  149.662   7.5466  107.743   23.699 41.91917 24.87154 
1 1 1    0   26   16 o  241.884   5.4544  202.654   9.1313  203.589   10.254  199.073   20.073  242.413   6.1115  239.002   12.175 3.411819 13.62273 
1 1 1    0   26   17 o  146.657   8.3161   74.876   8.4064   70.965   9.6894   86.780   16.905  142.585   9.8794  156.805   15.792 -14.22060 18.62729 
1 1 1    0   26   18 o  314.087   5.2256  341.875   11.360  343.014   12.941  338.049   23.714  314.544   5.9444  311.564   10.997 2.980438 12.50090 
1 1 1    0   26   19 o  143.825   8.1638   72.134   8.0930   70.617   9.0796   78.000   17.852  142.140   9.2803  147.555   17.843 -5.414658 20.11233 
1 1 1    0   26   20 f  197.417   11.053  136.726   15.042  136.726   15.042   0.0000   0.0000  197.417   11.053  ?   ?  0.000000 11.05311 
1 1 1    0   28    0 o  617.657   7.4738  1320.44   31.950  1293.17   44.215  1350.24   46.218  611.193   10.452  624.529   10.693 -13.33649 14.95274 
1 1 1    0   28    1 o  757.452   5.9745  1985.89   31.321  1923.71   43.027  2055.97   45.681  745.421   8.3399  770.610   8.5649 -25.18970 11.95455 
1 1 1    0   28    2 o  192.000   5.5284  127.593   7.3465  129.846   9.0955  123.366   12.460  193.678   6.7853  188.515   9.5816 5.163574 11.74086 
1 1 1    0   28    3 o  2072.89   13.965 14884.94  200.352 14504.89  275.109 15314.15  292.358  2045.26   19.435  2101.39   20.102 -56.13342 27.96040 
1 1 1    0   28    4 o  1530.95   10.546  8115.17  111.741  7829.08  151.927  8452.30  164.924  1503.37   14.601  1561.99   15.256 -58.61890 21.11712 
1 1 1    0   28    5 o  570.093   5.0499  1124.82   19.925  1124.68   28.216  1124.97   28.142  570.027   7.1518  570.100   7.1322 -0.7293701E-01 10.10036 
1 1 1    0   28    6 f  737.374   5.8733  1881.81   29.974  1801.87   40.809  1975.46   44.170  721.500   8.1723  755.448   8.4478 -33.94830 11.75381 
1 1 1    0   28    7 o  1657.86   11.367  9515.40  130.425  9104.73  175.456 10022.57  194.984  1621.38   15.635  1701.06   16.562 -79.67969 22.77608 
1 1 1    0   28    8 o  2171.51   16.946 16333.92  254.679 15786.17  299.737 17756.10  482.981  2134.34   20.291  2261.53   30.857 -127.1958 36.93045 
1 1 1    0   28    9 o  601.947   7.8974  1254.21   32.902  1206.83   45.066  1308.29   48.147  590.398   11.029  614.708   11.317 -24.31006 15.80197 
1 1 1    0   28   10 o  560.360   5.9955  1086.82   23.252  1089.97   27.810  1079.51   42.389  561.149   7.1605  558.354   10.969 2.794861 13.09929 
1 1 1    0   28   11 o  405.607   5.0527  569.414   14.184  571.221   16.181  563.415   29.475  406.241   5.7550  403.355   10.558 2.885193 12.02479 
1 1 1    0   28   12 o  416.108   4.7275  599.292   13.615  609.490   15.261  559.512   30.140  419.624   5.2545  401.903   10.835 17.72110 12.04236 
1 1 1    0   28   13 o  159.713   5.8528   88.309   6.4696   86.320   6.9027  102.683   18.556  157.899   6.3163  171.276   15.833 -13.37735 17.04636 
1 1 1    0   28   14 o  479.133   5.5353  794.872   18.356  794.872   18.356   0.0000   0.0000  479.133   5.5353  ?   ?  0.000000 5.535330 
1 1 1    0   28   15 o   97.411   10.094   33.271   6.7065   31.713   7.3440   41.093   16.457   94.900   11.410  106.273   23.039 -11.37288 25.70952 
1 1 1    0   28   16 o  262.994   5.1214  239.561   9.3221  249.771   10.463  200.244   20.531  268.516   5.6298  239.622   12.422 28.89412 13.63862 
1 1 1    0   28   17 o  122.498   8.3795   52.328   7.0617   53.996   7.8188   44.941   16.450  124.355   9.1486  110.911   22.205 13.44463 24.01571 
1 1 1    0   28   18 o  220.937   5.8969  169.250   9.0172  165.276   10.005  186.439   20.809  218.272   6.6231  230.646   13.089 -12.37379 14.66955 
1 1 1    0   28   19 f  153.462   7.5372   81.830   8.0055   83.467   8.8806   74.732   18.495  154.700   8.3248  143.948   19.031 10.75146 20.77190 
1 1 1    0   28   20 o   67.195   15.614   16.601   7.1232   11.223   7.9267   39.171   16.237   56.495   17.996  101.896   23.503 -45.40094 29.60175 
1 1 1    0   30    0 o  1014.46   10.499  3562.34   73.713  3416.10   99.906  3737.07  109.205  993.288   14.533  1038.88   15.188 -45.59143 21.02070 
1 1 1    0   30    1 o  913.518   7.8966  2888.79   49.927  2817.93   59.753  3052.68   90.874  902.179   9.5695  938.763   13.986 -36.58356 16.94680 
1 1 1    0   30    2 o  828.330   7.3440  2375.01   42.103  2273.66   69.710  2433.21   52.827  810.271   12.430  838.361   9.1043 -28.08997 15.40786 
1 1 1    0   30    3 o  769.562   6.0587  2049.76   32.270  2044.88   45.501  2054.70   45.773  768.584   8.5537  770.426   8.5843 -1.841919 12.11841 
1 1 1    0   30    4 o  573.034   5.8344  1136.49   23.140  1148.78   39.597  1130.12   28.515  576.050   9.9317  571.405   7.2104 4.644897 12.27306 
1 1 1    0   30    5 o  258.127   4.4684  230.593   7.9830  232.976   11.302  228.221   11.277  259.448   6.2942  256.787   6.3452 2.661530 8.937449 
1 1 1    0   30    6 o  382.870   4.4747  507.315   11.858  449.707   15.727  583.191   18.050  360.465   6.3040  410.490   6.3532 -50.02545 8.950047 
1 1 1    0   30    7 o  1921.98   13.035 12790.52  173.397 12282.31  234.172 13407.40  257.995  1882.94   17.969  1967.17   18.949 -84.23340 26.11435 
1 1 1    0   30    8 o  521.622   4.9122  941.665   17.734  911.681   24.468  974.843   25.739  513.228   6.8884  530.707   7.0074 -17.47906 9.826200 
1 1 1    0   30    9 f  640.823   5.4545  1421.29   24.192  1382.45   33.359  1464.36   35.135  631.968   7.6268  650.415   7.8050 -18.44775 10.91264 
1 1 1    0   30   10 o  337.562   10.824  394.585   25.288   0.0000   0.0000  394.585   25.288  ?   ?   337.562   10.824 0.000000 10.82406 
1 1 1    0   30   11 o  425.837   7.4220  627.774   21.875  631.219   31.076  624.390   30.797  426.920   10.517  424.605   10.480 2.314575 14.84708 
1 1 1    0   30   12 o  950.761   7.1217  3129.68   46.863  3164.30   54.276  3028.29   92.892  955.929   8.2037  934.541   14.362 21.38763 16.53946 
1 1 1    0   30   13 o  290.733   4.5476  292.593   9.1506  287.337   9.9727  320.585   23.016  288.102   5.0014  304.111   10.935 -16.00909 12.02466 
1 1 1    0   30   14 o  248.212   4.8225  213.304   8.2846  210.982   9.0026  226.146   21.170  246.846   5.2694  255.262   11.983 -8.416168 13.09008 
1 1 1    0   30   15 o  289.805   7.2450  291.062   14.532  291.062   14.532   0.0000   0.0000  289.805   7.2450  ?   ?  0.000000 7.244955 
1 1 1    0   30   16 f  200.448   5.6782  139.205   7.8776  136.339   8.6918  152.390   18.642  198.345   6.3315  208.820   12.963 -10.47482 14.42620 
1 1 1    0   30   17 o  122.028   8.0700   51.912   6.7772   50.803   7.3870   57.805   17.034  120.614   8.9122  126.580   20.117 -5.966339 22.00248 
1 1 1    0   30   18 o  143.978   8.1498   72.250   8.0879   72.749   8.9962   70.146   18.471  144.357   9.0500  139.487   19.679 4.869339 21.66030 
1 1 1    0   30   19 o  260.460   6.1445  235.442   11.077  235.442   11.077   0.0000   0.0000  260.460   6.1445  ?   ?  0.000000 6.144535 
1 1 1    0   30   20 o   57.395   16.473   12.000   6.8864   8.9058   7.5609   27.059   16.680   51.727   17.628   84.987   25.965 -33.26038 31.38306 
1 1 1    0   32    0 o  1242.15   12.408  5341.13  106.674  5175.61  145.818  5531.71  156.463  1222.57   17.233  1263.90   17.886 -41.32825 24.83750 
1 1 1    0   32    1 o  773.782   6.1100  2072.29   32.722  1954.31   43.879  2220.10   49.113  751.379   8.4377  800.835   8.8609 -49.45575 12.23560 
1 1 1    0   32    2 o  342.897   5.1732  406.931   12.277  390.735   14.921  440.878   21.602  335.995   6.4165  356.878   8.7458 -20.88348 10.84714 
1 1 1    0   32    3 o  871.838   7.6870  2630.96   46.384  2563.90   79.087  2666.11   57.268  860.469   13.280  877.595   9.4284 -17.12653 16.28646 
1 1 1    0   32    4 o  1092.92   7.8795  4134.47   59.603  4133.80   84.265  4135.13   84.317  1092.72   11.142  1092.89   11.147 -0.1763916 15.76070 
1 1 1    0   32    5 o  248.866   4.6453  214.342   8.0012  199.321   11.165  230.201   11.472  239.978   6.7222  257.900   6.4271 -17.92203 9.300300 
1 1 1    0   32    6 o  756.743   6.9907  1982.04   36.614  1916.18   43.105  2152.68   69.380  744.037   8.3706  788.500   12.713 -44.46350 15.22147 
1 1 1    0   32    7 o  507.107   5.4922  890.005   19.276  942.473   24.880  811.219   30.488  521.825   6.8890  484.097   9.0996 37.72800 11.41317 
1 1 1    0   32    8 o  1669.82   11.477  9654.44  132.636  9091.31  175.105 10412.45  203.157  1620.01   15.617  1733.57   16.932 -113.5614 23.03473 
1 1 1    0   32    9 o  1309.44   9.2401  5936.19   83.741  5666.02  112.648  6269.91  125.197  1279.04   12.725  1345.41   13.445 -66.36963 18.51219 
1 1 1    0   32   10 o  832.736   9.3890  2401.07   54.114  2369.27   75.790  2434.15   77.288  826.973   13.242  838.214   13.322 -11.24030 18.78372 
1 1 1    0   32   11 o  145.793   12.677   74.208   12.665   58.293   18.658   87.805   17.246  127.762   21.888  158.327   15.956 -30.56542 27.08623 
1 1 1    0   32   12 o  629.162   8.1538  1370.89   35.506  1382.93   50.403  1359.02   50.025  631.680   11.529  626.197   11.542 5.483826 16.31374 
1 1 1    0   32   13 o  213.344   4.6098  157.565   6.8067  152.276   7.1597  207.268   21.948  209.727   4.9325  244.042   13.041 -34.31512 13.94299 
1 1 1    0   32   14 o  241.974   4.6197  202.721   7.7368  202.935   8.3703  201.463   20.273  242.092   4.9956  240.562   12.216 1.530441 13.19822 
1 1 1    0   32   15 o  405.873   5.2386  570.547   14.716  582.945   17.161  536.097   28.605  410.203   6.0445  392.932   10.518 17.27121 12.13151 
1 1 1    0   32   16 o  141.579   10.374   70.029   10.095   85.561   12.825   44.732   16.367  156.352   11.941  110.755   22.125 45.59710 25.14230 
1 1 1    0   32   17 o  112.037   8.3776   43.834   6.4491   42.782   6.9232   50.732   17.733  110.582   9.1273  117.719   22.586 -7.136612 24.36090 
1 1 1    0   32   18 o   39.550   15.442   3.3708   6.1131   1.5822   6.4388   19.722   19.468   37.452   15.416   78.610   28.178 -41.15752 32.11903 
1 1 1    0   32   19 o   68.969   15.302   17.415   7.1132   16.711   7.7442   21.215   17.991   67.415   16.687   78.709   27.179 -11.29401 31.89306 
1 1 1    0   34    0 f  947.049   14.088  3104.88   92.343  3104.88   92.343   0.0000   0.0000  947.049   14.088  ?   ?  0.000000 14.08816 
1 1 1    0   34    1 o  734.849   5.9236  1868.94   30.127  1781.71   40.876  1972.70   44.578  717.452   8.2318  754.921   8.5318 -37.46857 11.85554 
1 1 1    0   34    2 o  513.761   4.9649  913.494   17.654  881.210   24.289  949.652   25.705  504.580   6.9551  523.807   7.0904 -19.22684 9.932109 
1 1 1    0   34    3 o  1135.20   8.1515  4460.53   64.045  4353.55   88.450  4578.44   92.857  1121.39   11.396  1149.97   11.667 -28.58765 16.30920 
1 1 1    0   34    4 o  1407.75   11.336  6860.88  110.451  6570.73  183.443  7025.89  138.337  1377.13   19.246  1424.43   14.032 -47.29639 23.81855 
1 1 1    0   34    5 o  640.824   5.4693  1421.24   24.257  1415.33   34.110  1427.28   34.504  639.461   7.7071  642.153   7.7634 -2.692444 10.93937 
1 1 1    0   34    6 o  685.937   6.4921  1628.47   30.821  1558.24   36.698  1796.58   56.779  670.959   7.9027  720.364   11.388 -49.40497 13.86165 
1 1 1    0   34    7 o  788.845   8.7371  2154.10   47.702  2154.10   47.702   0.0000   0.0000  788.845   8.7371  ?   ?  0.000000 8.737121 
1 1 1    0   34    8 o  522.088   4.9568  943.378   17.911  901.227   24.400  992.637   26.376  510.262   6.9090  535.511   7.1166 -25.24887 9.918636 
1 1 1    0   34    9 f  1102.98   9.1973  4212.09   70.211  3861.95  109.786  4454.41   91.329  1055.70   15.025  1134.09   11.636 -78.39099 19.00394 
1 1 1    0   34   10 f  413.330   10.761  591.707   30.783  591.707   30.783   0.0000   0.0000  413.330   10.761  ?   ?  0.000000 10.76069 
1 1 1    0   34   11 o  666.399   8.4075  1537.84   38.777  1553.17   55.225  1522.93   54.461  669.483   11.919  662.937   11.870 6.546509 16.82078 
1 1 1    0   34   12 o  208.163   13.936  151.024   19.962  151.024   19.962   0.0000   0.0000  208.163   13.936  ?   ?  0.000000 13.93622 
1 1 1    0   34   13 o  346.049   7.4813  414.854   17.918  408.537   25.014  421.512   25.678  343.220   10.530  348.619   10.642 -5.399872 14.97157 
1 1 1    0   34   14 o  374.523   5.4251  485.776   14.062  484.521   16.394  489.268   27.357  373.987   6.3337  375.470   10.527 -1.483063 12.28581 
1 1 1    0   34   15 o  337.021   4.5170  393.333   10.536  396.159   11.653  380.683   24.659  338.204   4.9785  331.024   10.763 7.179993 11.85866 
1 1 1    0   34   16 o  179.634   5.8044  111.829   7.2165  111.829   7.2165   0.0000   0.0000  179.634   5.8044  ?   ?  0.000000 5.804444 
1 1 1    0   34   17 o  109.919   7.7302   42.154   5.8434   41.566   6.2095   46.702   17.275  109.079   8.2870  112.638   22.938 -3.559914 24.38925 
1 1 1    0   34   18 o   56.407   14.870   11.581   5.8874   12.039   6.2292   7.7463   18.022   57.514   15.359   64.697   26.101 -7.182106 30.28504 
1 1 1    0   34   19 o  178.104   6.3857  110.175   7.8715  106.507   8.5771  129.756   19.818  175.041   7.0798  191.128   15.104 -16.08696 16.68129 
1 1 1    0   36    0 o  1490.06   14.598  7686.00  150.549  7341.46  202.453  8112.19  225.171  1456.05   20.090  1530.52   21.257 -74.46448 29.24788 
1 1 1    0   36    1 o  2374.79   18.398 19537.51  302.395 19070.71  360.120 20653.66  556.855  2345.68   22.182  2438.77   32.991 -93.08813 39.75484 
1 1 1    0   36    2 o  1852.14   14.533 11879.13  186.291 11253.66  303.258 12258.21  236.089  1801.62   24.320  1881.10   18.134 -79.47778 30.33664 
1 1 1    0   36    3 o  847.455   6.5597  2485.65   38.475  2345.01   51.491  2663.43   57.894  823.081   9.0389  877.170   9.5361 -54.08984 13.13919 
1 1 1    0   36    4 o  1310.96   9.2303  5949.03   83.750  5842.52  116.372  6063.47  120.622  1298.99   12.944  1323.31   13.170 -24.32117 18.46602 
1 1 1    0   36    5 o  487.676   4.9131  823.091   16.583  790.787   22.813  859.286   24.148  477.991   6.8958  498.262   7.0024 -20.27078 9.827833 
1 1 1    0   36    6 o  749.684   6.0209  1945.21   31.240  1892.58   43.029  2003.88   45.430  739.421   8.4079  760.846   8.6271 -21.42468 12.04662 
1 1 1    0   36    7 o  622.127   5.4508  1339.57   23.470  1279.04   31.797  1412.02   34.787  607.868   7.5580  638.680   7.8696 -30.81219 10.91119 
1 1 1    0   36    8 o  884.370   7.7297  2707.46   47.312  2494.63   74.366  2852.17   61.323  848.660   12.661  907.607   9.7623 -58.94690 15.98744 
1 1 1    0   36    9 o  476.241   4.8666  785.002   16.041  755.969   22.027  817.783   23.406  467.315   6.8104  486.043   6.9579 -18.72717 9.736205 
1 1 1    0   36   10 o  963.682   7.1997  3215.19   48.020  3115.45   65.682  3329.73   70.383  948.420   10.006  980.462   10.372 -32.04163 14.41189 
1 1 1    0   36   11 o  402.470   7.5482  560.927   21.026  545.366   28.857  578.537   30.698  396.723   10.510  408.592   10.855 -11.86905 15.10930 
1 1 1    0   36   12 o  262.881   8.2773  239.421   15.060  225.219   21.091  254.195   21.511  254.807   11.959  270.728   11.480 -15.92058 16.57785 
1 1 1    0   36   13 o  286.500   8.0424  284.464   15.947  271.220   22.412  298.049   22.697  279.533   11.584  293.062   11.190 -13.52933 16.10610 
1 1 1    0   36   14 o  460.448   10.603  736.097   33.789   0.0000   0.0000  736.097   33.789  ?   ?   460.448   10.603 0.000000 10.60283 
1 1 1    0   36   15 o  474.079   7.5221  779.413   24.681  823.415   36.269  741.463   33.683  486.739   10.766  461.925   10.536 24.81396 15.06376 
1 1 1    0   36   16 o  233.957   4.5759  189.605   7.4094  186.575   7.8989  211.805   21.382  232.062   4.9179  246.156   12.593 -14.09387 13.51886 
1 1 1    0   36   17 o   41.004   14.199   5.3148   4.9123   5.3148   4.9123   0.0000   0.0000   41.004   14.199  ?   ?  0.000000 14.19947 
1 1 1    0   36   18 o   48.219   14.560   8.2418   5.2674   8.6862   5.5604   4.3561   16.443   49.489   14.963   59.236   24.532 -9.746918 28.73549 
1 1 1    0   38    0 o  297.420   6.9221  306.140   14.249  279.805   19.646  335.366   20.697  284.328   9.9836  311.282   9.6066 -26.95398 13.85493 
1 1 1    0   38    1 o  504.105   5.7967  879.500   20.225  875.122   34.368  881.820   25.015  502.796   9.8761  504.754   7.1604 -1.958496 12.19870 
1 1 1    0   38    2 o  1137.84   8.1931  4481.30   64.521  4328.92   88.043  4658.07   94.828  1118.21   11.376  1159.92   11.812 -41.71289 16.39954 
1 1 1    0   38    3 o  905.899   6.8782  2840.39   43.125  2742.01   58.979  2953.42   63.218  890.004   9.5748  923.667   9.8889 -33.66266 13.76468 
1 1 1    0   38    4 o  725.967   5.9396  1824.06   29.844  1755.23   40.807  1903.20   43.758  712.094   8.2797  741.498   8.5266 -29.40356 11.88513 
1 1 1    0   38    5 o  1061.82   10.968  3903.62   80.607  3728.78  110.130  4105.37  118.300  1037.52   15.337  1088.62   15.701 -51.10596 21.94850 
1 1 1    0   38    6 o  725.832   5.9441  1823.44   29.861  1743.24   40.578  1918.18   44.101  709.635   8.2618  744.380   8.5600 -34.74524 11.89669 
1 1 1    0   38    7 o  188.660   5.9059  123.195   7.7116  116.716   10.197  131.849   11.786  183.618   8.0241  195.152   8.7260 -11.53433 11.85450 
1 1 1    0   38    8 f  336.291   5.6542  391.443   13.160  382.138   15.092  420.976   26.886  332.258   6.5627  348.642   11.142 -16.38379 12.93130 
1 1 1    0   38    9 f  1116.69   9.4084  4318.39   72.716  4015.12  118.044  4503.84   92.309  1076.07   15.850  1140.20   11.697 -64.12842 19.69889 
1 1 1    0   38   10 o  507.584   4.9534  891.815   17.401  870.134   23.871  916.404   25.421  501.316   6.8798  514.463   7.1394 -13.14639 9.914776 
1 1 1    0   38   11 o  318.314   11.089  351.268   24.430  351.268   24.430   0.0000   0.0000  318.314   11.089  ?   ?  0.000000 11.08877 
1 1 1    0   38   12 o  313.737   7.8642  341.044   17.076  341.463   24.291  340.634   24.011  313.733   11.187  313.360   11.071 0.3731689 15.73889 
1 1 1    0   38   13 o  302.524   11.036  317.707   23.107   0.0000   0.0000  317.707   23.107  ?   ?   302.524   11.036 0.000000 11.03569 
1 1 1    0   38   14 o  231.999   8.6821  186.721   13.941  193.317   20.209  180.732   19.256  235.430   12.446  227.641   12.267 7.788574 17.47577 
1 1 1    0   38   15 o  178.923   10.072  111.599   12.421  103.463   17.690  119.512   17.446  171.464   15.059  184.614   13.752 -13.15076 20.39347 
1 1 1    0   38   16 o  215.081   9.0757  160.774   13.510  143.805   17.703  184.439   20.906  202.613   12.688  229.446   13.221 -26.83244 18.32433 
1 1 1    0   38   17 o  138.827   18.577   69.317   17.402   69.317   17.402   0.0000   0.0000  138.827   18.577  ?   ?  0.000000 18.57679 
1 1 1    0   38   18 o  104.941   7.3155   38.462   5.2801   36.814   5.5010   57.756   18.822  102.590   7.8060  124.875   22.610 -22.28493 23.91972 
1 1 1    0   40    0 f  1298.88   12.971  5840.04  116.603  5604.88  157.918  6121.95  172.903  1272.28   17.934  1329.63   18.789 -57.35376 25.97372 
1 1 1    0   40    1 o  369.293   4.8861  471.983   12.488  464.060   17.430  480.341   17.902  366.164   6.8776  372.531   6.9434 -6.367249 9.773049 
1 1 1    0   40    3 o  1079.51   7.8714  4033.77   58.811  3881.71   79.981  4212.78   86.776  1058.84   10.914  1103.05   11.367 -44.20752 15.75784 
1 1 1    0   40    4 o  1796.53   14.142 11179.04  175.840 10868.28  208.815 11936.58  326.026  1771.03   17.036  1854.57   25.400 -83.53625 30.58384 
1 1 1    0   40    5 o  885.469   7.8087  2714.09   47.855  2673.17   80.553  2736.41   59.491  878.518   13.248  889.030   9.6685 -10.51245 16.40095 
1 1 1    0   40    6 o  572.145   6.2710  1133.06   24.832  1077.56   42.876  1161.08   30.461  557.824   11.105  579.145   7.5995 -21.32129 13.45674 
1 1 1    0   40    7 o  393.919   5.0054  537.071   13.646  482.408   18.184  607.554   20.648  373.306   7.0380  418.936   7.1213 -45.63074 10.01225 
1 1 1    0   40    8 o  159.408   6.6312   87.966   7.3161   83.933   9.4310   94.061   11.594  155.442   8.8024  164.482   10.235 -9.040161 13.49946 
1 1 1    0   40    9 o  624.951   6.4199  1352.11   27.769  1313.55   32.534  1455.61   53.293  615.922   7.6319  648.113   11.881 -32.19049 14.12086 
1 1 1    0   40   10 o  181.626   5.7105  114.207   7.1784   94.497   8.5452  161.463   13.232  165.187   7.4743  215.893   8.8554 -50.70592 11.58806 
1 1 1    0   40   11 o  427.198   6.5651  632.032   19.411  632.032   19.411   0.0000   0.0000  427.198   6.5651  ?   ?  0.000000 6.565072 
1 1 1    0   40   12 o  417.558   7.6103  604.173   21.994  596.585   30.680  612.195   31.546  414.659   10.690  420.031   10.851 -5.373016 15.23245 
1 1 1    0   40   13 o  379.161   7.4771  498.317   19.622  497.073   28.033  499.512   27.474  378.362   10.705  379.317   10.465 -0.9553528 14.97038 
1 1 1    0   40   14 o  263.501   8.1203  240.861   14.809  251.463   21.819  231.805   20.165  268.885   11.725  258.209   11.284 10.67609 16.27239 
1 1 1    0   40   15 o   93.456   17.888   31.658   11.149   23.941   15.629   39.654   15.908   81.844   25.155  103.879   22.756 -22.03495 33.92044 
1 1 1    0   40   16 o  326.500   7.8757  370.221   17.797  365.561   24.514  375.415   25.880  323.906   10.935  328.146   11.395 -4.240051 15.79307 
1 1 1    0   40   17 o  131.630   14.711   61.605   13.173   79.463   17.442   37.898   20.097  149.035   17.228  100.305   27.922 48.72971 32.80873 
1 1 1    0   42    0 o  1095.20   15.977  4153.17  121.107   0.0000   0.0000  4153.17  121.107  ?   ?   1095.20   15.977 0.000000 15.97706 
1 1 1    0   42    1 o  791.232   6.3222  2166.87   34.622  2054.26   46.650  2304.95   51.657  770.335   8.7498  815.974   9.1470 -45.63928 12.65805 
1 1 1    0   42    2 o  340.792   5.0990  401.955   12.027  388.587   16.642  416.568   17.400  335.057   7.1767  346.910   7.2470 -11.85272 10.19919 
1 1 1    0   42    3 f  260.861   6.4619  235.535   11.667  229.472   13.668  251.805   22.392  257.471   7.6703  269.653   11.998 -12.18161 14.24051 
1 1 1    0   42    4 o  879.698   6.7828  2678.68   41.297  2655.34   57.745  2703.11   59.083  875.753   9.5270  883.590   9.6614 -7.836426 13.56852 
1 1 1    0   42    5 f  860.736   7.6817  2564.71   45.762  2481.27   54.650  2760.49   83.713  846.550   9.3274  892.660   13.550 -46.10980 16.44975 
1 1 1    0   42    6 o  1536.94   12.268  8182.56  130.498  7848.78  215.011  8377.23  164.201  1503.89   20.657  1554.69   15.260 -50.79504 25.68224 
1 1 1    0   42    7 o  480.055   5.1186  797.658   17.007  770.892   23.149  829.045   25.068  471.888   7.0878  489.355   7.4013 -17.46658 10.24777 
1 1 1    0   42    8 o  624.738   5.5419  1351.04   23.963  1278.88   32.255  1439.92   35.797  607.744   7.6684  644.857   8.0206 -37.11298 11.09658 
1 1 1    0   42    9 o  403.285   5.7584  563.056   16.073  555.607   18.513  585.854   32.388  400.581   6.6776  411.123   11.383 -10.54214 13.19669 
1 1 1    0   42   10 o  665.144   5.6726  1531.82   26.114  1485.98   35.752  1584.25   38.234  654.954   7.8871  676.237   8.1692 -21.28326 11.35525 
1 1 1    0   42   11 o  214.317   4.8043  159.027   7.1262  171.622   9.5021  142.837   10.773  222.607   6.1674  203.037   7.6664 19.56943 9.839211 
1 1 1    0   42   12 o  141.174   18.388   70.732   17.540   0.0000   0.0000   70.732   17.540  ?   ?   141.174   18.388 0.000000 18.38769 
1 1 1    0   42   13 o  106.618   15.726   40.493   11.256   55.951   16.819   27.951   15.149  124.793   20.160   87.666   24.182 37.12698 31.48355 
1 1 1    0   42   14 o   49.615   19.877   4.2704   10.371   2.7766   15.344   5.5268   14.072   56.642   23.598   57.343   23.089 -0.7008324 33.01507 
1 1 1    0   42   15 o  224.487   12.727  176.390   19.693  176.390   19.693   0.0000   0.0000  224.487   12.727  ?   ?  0.000000 12.72703 
1 1 1    0   42   16 o   96.043   19.113   33.744   12.258   33.098   16.380   34.566   18.481   94.272   24.778   96.279   26.766 -2.006630 36.47477 
1 1 1    0   42   17 f  131.657   20.791   63.366   18.316   0.0000   0.0000   63.366   18.316  ?   ?   131.657   20.791 0.000000 20.79144 
1 1 1    0   44    0 f  1014.35   10.660  3561.64   74.835  3447.32  102.492  3692.20  109.524  997.793   14.841  1032.60   15.325 -34.81085 21.33348 
1 1 1    0   44    1 o  780.845   7.2841  2110.57   39.365  2029.76   66.052  2155.09   49.023  765.540   12.466  788.979   8.9775 -23.43896 15.36249 
1 1 1    0   44    2 o  1358.32   9.5593  6388.10   89.868  6263.40  124.384  6524.29  129.985  1344.67   13.365  1372.36   13.685 -27.68628 19.12870 
1 1 1    0   44    3 o  610.383   5.5827  1289.53   23.584  1289.16   33.044  1289.92   33.671  610.242   7.8238  610.417   7.9700 -0.1746826 11.16835 
1 1 1    0   44    4 o  706.941   5.9530  1729.85   29.127  1646.62   39.480  1829.27   43.146  689.651   8.2713  726.883   8.5763 -37.23206 11.91504 
1 1 1    0   44    5 o  546.745   5.3520  1034.67   20.253  1010.17   28.077  1061.25   29.242  540.181   7.5098  553.665   7.6309 -13.48389 10.70650 
1 1 1    0   44    6 o  430.619   5.0821  641.833   15.146  602.789   20.520  688.565   22.450  417.274   7.1054  445.971   7.2733 -28.69727 10.16794 
1 1 1    0   44    7 o  900.374   8.0724  2807.14   50.304  2673.17   84.629  2880.34   62.555  878.084   13.925  911.893   9.9115 -33.80920 17.09245 
1 1 1    0   44    8 f  175.535   6.6552  106.687   8.0855  122.051   10.567   84.986   12.558  187.725   8.1330  156.143   11.706 31.58133 14.25386 
1 1 1    0   44    9 o  487.694   5.0826  823.413   17.156  739.174   22.345  944.361   26.775  461.990   6.9884  522.165   7.4087 -60.17502 10.18465 
1 1 1    0   44   10 o  518.742   5.0899  931.698   18.274  873.744   24.381  1006.00   27.606  502.233   7.0140  538.873   7.4017 -36.64053 10.19713 
1 1 1    0   44   11 o  220.246   7.4511  168.098   11.358  168.098   11.358   0.0000   0.0000  220.246   7.4511  ?   ?  0.000000 7.451078 
1 1 1    0   44   12 o   73.901   20.749   19.679   11.048   30.717   15.827   9.1902   15.428   91.773   24.470   63.483   24.602 28.29031 34.69971 
1 1 1    0   44   13 f  260.775   8.0862  235.912   14.594  235.171   20.782  236.634   20.501  260.033   11.547  260.862   11.355 -0.8294067 16.19469 
1 1 1    0   44   14 o  160.956   11.308   90.620   12.517  101.659   18.004   80.293   17.414  169.771   15.493  150.392   17.030 19.37845 23.02321 
1 1 1    0   44   15 o  268.825   8.3437  251.075   15.524  225.122   21.478  279.463   22.464  253.979   12.219  283.120   11.464 -29.14104 16.75461 
1 1 1    0   44   16 o  192.736   10.538  129.924   14.003  125.805   19.364  134.439   20.275  188.636   14.954  194.987   15.142 -6.350906 21.28208 
1 1 1    0   44   17 o  151.806   12.800   81.446   13.324   69.610   18.468   94.293   19.240  138.183   19.883  162.059   17.427 -23.87589 26.43968 
1 1 1    0   46    0 o  814.445   9.1801  2296.07   51.747  2202.93   70.284  2406.34   76.470  797.656   12.731  833.652   13.253 -35.99622 18.37751 
1 1 1    0   46    1 o  751.072   6.1796  1952.61   32.123  1874.47   43.894  2042.72   47.137  735.805   8.6192  768.108   8.8668 -32.30249 12.36570 
1 1 1    0   46    2 o  1015.01   8.7071  3567.02   61.167  3502.41   73.645  3710.73  109.833  1005.66   10.581  1034.71   15.337 -29.05573 18.63254 
1 1 1    0   46    3 o  629.163   5.6372  1370.16   24.547  1332.08   33.764  1412.85   35.751  620.293   7.8647  638.816   8.0861 -18.52264 11.27998 
1 1 1    0   46    4 o  356.335   5.2664  439.497   12.988  403.392   17.465  484.176   19.428  341.350   7.3924  373.968   7.5061 -32.61847 10.53516 
1 1 1    0   46    5 o  243.813   5.8285  205.772   9.8353  211.438   13.527  199.417   14.326  247.116   7.9091  239.976   8.6252 7.139999 11.70247 
1 1 1    0   46    6 o  284.193   5.4263  279.578   10.673  273.149   14.539  287.090   15.718  280.868   7.4794  287.937   7.8870 -7.069183 10.86954 
1 1 1    0   46    7 o  192.512   6.5901  128.322   8.7806  138.049   12.059  117.344   12.810  199.634   8.7276  183.749   10.112 15.88597 13.35755 
1 1 1    0   46    8 o  347.357   5.5630  417.743   13.374  400.807   16.125  455.073   23.940  340.201   6.8483  362.375   9.5453 -22.17395 11.74784 
1 1 1    0   46    9 o  392.587   4.8753  533.605   13.247  478.630   17.419  609.013   20.400  371.735   6.7703  419.306   7.0296 -47.57135 9.759678 
1 1 1    0   46   10 o  234.055   6.0788  189.742   9.8473  183.271   10.926  217.756   22.732  230.002   6.8634  249.990   13.185 -19.98772 14.86433 
1 1 1    0   46   11 o   42.094   13.982   5.8355   4.7579   8.2065   5.6243  -0.1317   8.9226   48.680   15.111   41.409   17.660 7.270496 23.24306 
1 1 1    0   46   12 o   61.557   9.2354   13.442   3.8133   9.8170   4.5325   22.225   7.0547   52.084   12.690   78.814   13.413 -26.73003 18.46511 
1 1 1    0   46   13 o  116.399   14.425   48.006   11.372   49.902   16.400   46.249   15.783  117.312   20.969  112.828   20.984 4.483765 29.66519 
1 1 1    0   46   14 o   81.828   20.252   24.582   11.408   41.620   15.827   6.1610   16.457  106.437   22.203   61.393   24.882 45.04301 33.34785 
1 1 1    0   46   15 o  225.345   9.6339  176.761   15.025  166.000   20.513  189.219   22.071  217.314   13.708  232.044   13.805 -14.72963 19.45519 
1 1 1    0   46   16 o  112.092   24.037   46.995   18.088   0.0000   0.0000   46.995   18.088  ?   ?   112.092   24.037 0.000000 24.03654 
1 1 1    0   48    0 o  665.693   8.2521  1533.94   38.020  1470.73   51.795  1607.81   55.988  651.752   11.482  681.435   11.871 -29.68335 16.51562 
1 1 1    0   48    1 o  341.619   7.4833  404.038   17.693  404.038   17.693   0.0000   0.0000  341.619   7.4833  ?   ?  0.000000 7.483293 
1 1 1    0   48    2 o  445.848   6.0791  688.101   18.759  703.415   32.660  680.563   22.915  450.648   10.471  443.365   7.4678 7.282867 12.86150 
1 1 1    0   48    3 o  759.021   6.2347  1994.35   32.753  1980.81   45.927  2008.38   46.722  756.311   8.7738  761.551   8.8644 -5.239807 12.47228 
1 1 1    0   48    4 o  638.157   6.5454  1409.89   28.910  1337.56   47.131  1453.51   36.605  621.339   10.960  647.880   8.1634 -26.54102 13.66582 
1 1 1    0   48    5 o  219.251   7.3634  166.455   11.174  163.000   12.864  177.073   22.550  216.940   8.5676  225.472   14.528 -8.531586 16.86600 
1 1 1    0   48    6 o  228.851   7.4115  181.373   11.739  177.171   21.083  183.262   14.133  225.584   13.566  230.003   8.8780 -4.418625 16.21312 
1 1 1    0   48    7 o  161.118   7.2885   89.910   8.1276   83.273   10.733   98.829   12.443  154.669   10.082  168.497   10.726 -13.82768 14.72038 
1 1 1    0   48    8 f  335.565   5.1000  389.871   11.845  356.578   15.710  433.725   18.031  320.843   7.0748  353.838   7.3626 -32.99542 10.21078 
1 1 1    0   48    9 o  114.077   8.5752   45.365   6.7209   44.897   8.5474   46.124   10.878  113.208   11.050  114.340   14.042 -1.132347 17.86785 
1 1 1    0   48   10 o  109.313   8.9224   41.718   6.6915   44.517   8.8108   37.902   10.286  112.638   11.462  103.309   14.810 9.329018 18.72683 
1 1 1    0   48   11 o  123.356   7.0474   52.917   5.9919   56.712   7.2737   44.905   10.569  127.603   8.2807  112.724   13.838 14.87959 16.12639 
1 1 1    0   48   12 o   33.300   12.584   2.7717   3.9691   1.5660   4.6078   6.2389   7.8137   32.606   13.183   47.862   17.744 -15.25631 22.10477 
1 1 1    0   48   13 o  351.628   10.712  430.244   26.069  430.244   26.069   0.0000   0.0000  351.628   10.712  ?   ?  0.000000 10.71188 
1 1 1    0   48   14 o  129.548   14.262   59.448   12.576   64.829   17.978   54.293   17.597  133.954   20.004  121.923   21.646 12.03107 29.47425 
1 1 1    0   48   15 o  120.525   15.501   51.912   12.631   20.171   17.510   86.341   18.237   77.462   26.810  155.446   17.241 -77.98342 31.87504 
1 1 1    0   48   16 f   65.052   22.296   14.249   12.097   45.956   17.626 -13.9854   16.632  110.625   23.732   46.014   21.430 64.61105 31.97581 
1 1 1    0   50    0 o  750.909   8.7778  1952.05   45.619  1970.24   64.776  1934.15   64.257  754.254   12.409  747.312   12.424 6.942139 17.55895 
1 1 1    0   50    1 o  355.928   5.3630  438.530   13.211  440.360   18.467  436.611   18.908  356.620   7.4819  355.092   7.6936 1.527466 10.73172 
1 1 1    0   50    2 o  447.379   5.2402  692.830   16.225  703.958   23.051  681.901   22.843  450.892   7.3865  443.770   7.4374 7.122009 10.48212 
1 1 1    0   50    3 o  524.581   7.6078  952.940   27.622   0.0000   0.0000  952.940   27.622  ?   ?   524.581   7.6078 0.000000 7.607808 
1 1 1    0   50    4 o  213.222   6.4422  157.415   9.5070  166.297   13.326  148.210   13.567  219.104   8.7879  206.829   9.4773 12.27489 12.92462 
1 1 1    0   50    5 o  407.241   5.1938  574.148   14.639  548.860   19.939  603.721   21.562  398.096   7.2365  417.508   7.4618 -19.41150 10.39448 
1 1 1    0   50    6 o  112.123   11.851   44.094   9.0570   38.885   10.326   61.463   18.856  104.807   14.635  131.072   21.533 -26.26505 26.03576 
1 1 1    0   50    7 o  239.404   5.7789  198.473   9.5754  194.580   12.911  203.233   14.275  236.977   7.8716  242.163   8.5173 -5.186188 11.59766 
1 1 1    0   50    8 o  318.328   5.7597  350.941   12.690  323.073   18.940  373.639   17.093  305.259   8.9648  328.371   7.5211 -23.11234 11.70196 
1 1 1    0   50    9 o  410.629   7.2115  584.342   20.495   0.0000   0.0000  584.342   20.495  ?   ?   410.629   7.2115 0.000000 7.211492 
1 1 1    0   50   10 o  337.723   4.8909  395.007   11.432  358.469   14.949  446.467   17.741  321.614   6.7160  358.891   7.1425 -37.27676 9.804053 
1 1 1    0   50   11 o  204.125   6.2558  144.408   8.8380  139.058   9.7116  170.195   21.323  200.270   7.0064  220.498   14.045 -20.22774 15.69575 
1 1 1    0   50   12 o   45.764   17.494   5.0697   7.7255   5.7171   16.686   4.8931   8.7159   61.419   24.994   47.349   18.452 14.07019 31.06764 
1 1 1    0   50   13 o  174.577   10.789  106.534   12.972  120.244   19.758   96.146   17.198  184.549   15.615  164.968   15.235 19.58167 21.81578 
1 1 1    0   50   14 o  249.207   8.9550  216.038   15.446  243.610   22.488  191.415   21.252  264.023   12.306  233.504   13.204 30.51854 18.04954 
1 1 1    0   50   15 o   45.560   19.622  -0.5077   11.213   7.8780   17.477  -6.3756   14.619   63.902   25.731   47.261   21.274 16.64138 33.38635 
1 1 1    0   52    0 o  655.931   11.540  1490.24   52.388  1490.24   52.388   0.0000   0.0000  655.931   11.540  ?   ?  0.000000 11.53970 
1 1 1    0   52    1 o  324.715   5.4442  365.030   12.235  380.797   17.346  349.416   17.261  331.590   7.5581  317.624   7.8520 13.96622 10.89855 
1 1 1    0   52    2 o  459.884   5.2722  732.181   16.781  745.850   23.729  718.505   23.735  464.068   7.3879  455.474   7.5293 8.593567 10.54848 
1 1 1    0   52    3 o  229.298   6.1974  182.056   9.8353  186.594   13.634  177.132   14.202  232.077   8.4882  226.099   9.0753 5.978500 12.42624 
1 1 1    0   52    4 f  347.218   5.3165  417.407   12.776  395.153   17.296  444.134   18.954  337.759   7.3988  358.070   7.6483 -20.31064 10.64135 
1 1 1    0   52    5 o   88.846   13.414   28.020   7.9915   39.378   10.896   14.799   11.756  105.342   15.400   66.638   21.970 38.70393 26.83019 
1 1 1    0   52    6 o  232.643   8.2960  187.569   13.358  187.569   13.358   0.0000   0.0000  232.643   8.2960  ?   ?  0.000000 8.295954 
1 1 1    0   52    7 o  320.248   5.2659  355.149   11.672  347.788   15.923  363.697   17.159  316.815   7.2618  323.958   7.6528 -7.142303 10.54982 
1 1 1    0   52    8 o   47.068   17.466   5.9580   7.5753   7.2429   8.8695   2.4937   14.564   51.307   18.927   55.279   23.007 -3.971703 29.79216 
1 1 1    0   52    9 o   66.083   14.994   15.823   6.7006   8.9656   8.5162   26.969   10.857   53.583   18.688   86.161   18.739 -32.57738 26.46542 
1 1 1    0   52   10 o  248.566   5.2718  214.034   9.0693  197.524   11.727  238.601   14.305  238.685   7.0990  262.275   7.8808 -23.58954 10.60668 
1 1 1    0   52   11 o  111.663   8.1925   43.506   6.2872   37.962   7.7362   54.293   10.790  103.901   10.921  124.176   12.735 -20.27523 16.77694 
1 1 1    0   52   12 o  166.838   5.7311   96.489   6.6177  101.304   8.5948   89.478   10.371  170.862   7.2680  160.161   9.3973 10.70125 11.87997 
1 1 1    0   52   13 o  222.865   9.7632  172.888   15.060  180.683   23.039  167.073   19.899  226.522   14.776  218.164   13.241 8.357574 19.84107 
1 1 1    0   52   14 o  174.429   14.942  107.756   17.864   0.0000   0.0000  107.756   17.864  ?   ?   174.429   14.942 0.000000 14.94197 
1 1 1    0   52   15 o  204.741   10.207  146.438   14.463  138.878   20.916  153.366   20.022  197.644   15.412  208.233   13.973 -10.58920 20.80359 
1 1 1    0   54    0 o   76.809   20.802   21.170   11.331   13.829   15.821   28.902   16.237   69.755   25.347   89.882   25.125 -20.12659 35.68997 
1 1 1    0   54    1 o  291.801   6.4523  294.880   13.031  303.122   15.845  277.659   22.905  295.802   7.7396  282.911   11.698 12.89139 14.02652 
1 1 1    0   54    2 o  471.494   6.0975  769.837   19.898  733.659   33.222  790.076   24.848  459.976   10.435  477.566   7.5175 -17.59000 12.86123 
1 1 1    0   54    3 o  169.689   7.6163   99.758   8.9449   96.173   12.267  103.829   13.072  166.176   10.723  172.663   10.996 -6.487778 15.35843 
1 1 1    0   54    5 o  235.165   6.7854  191.582   11.044  200.217   13.650  175.219   18.791  240.347   8.2060  224.310   12.149 16.03688 14.66087 
1 1 1    0   54    6 o  336.198   5.2720  391.425   12.267  354.643   16.499  436.899   18.345  319.899   7.4518  355.064   7.4650 -35.16492 10.54778 
1 1 1    0   54    7 o  118.205   11.317   48.971   9.1455   42.789   10.431   69.512   19.015  110.013   14.018  139.498   20.290 -29.48586 24.66151 
1 1 1    0   54    8 o   96.250   12.690   32.777   8.2476   42.951   11.846   23.204   11.490  109.817   16.060   79.845   20.641 29.97184 26.15284 
1 1 1    0   54    9 o  107.285   9.9204   40.316   7.2828   45.250   9.4745   33.190   11.386  113.378   12.270   95.876   17.814 17.50217 21.63080 
1 1 1    0   54   10 o  210.729   7.7013  154.067   11.232  125.902   20.820  165.630   13.340  189.027   16.066  218.406   8.8251 -29.37921 18.33046 
1 1 1    0   54   11 o  251.356   5.7948  219.008   10.081  215.744   12.251  225.854   17.742  249.370   7.0981  254.821   10.060 -5.450256 12.31204 
1 1 1    0   54   12 o  102.978   9.5623   37.207   6.7375   32.824   7.3302   61.073   17.104   96.402   11.195  130.031   19.615 -33.62833 22.58443 
1 1 1    0   54   13 o  202.987   4.9753  142.833   6.9898  165.307   9.7572  119.142   10.018  218.245   6.4595  185.157   7.8175 33.08827 10.14095 
1 1 1    0   54   14 o   83.873   20.514   26.168   11.809   41.556   19.007   16.493   15.071  104.616   26.284   70.694   24.850 33.92205 36.17109 
1 1 1    0   56    0 o  389.900   7.5460  526.410   20.363  528.781   28.402  523.903   29.211  390.662   10.504  388.840   10.854 1.822083 15.10489 
1 1 1    0   56    1 o  350.447   6.1593  425.360   14.939  432.585   25.397  421.537   18.473  353.137   10.391  348.789   7.6526 4.348053 12.90486 
1 1 1    0   56    2 o  106.458   11.265   39.770   8.1739   33.656   11.087   47.049   12.098   96.879   17.164  115.256   15.564 -18.37685 23.16990 
1 1 1    0   56    3 o  260.104   5.8286  234.312   10.493  243.489   14.459  224.103   15.250  265.059   7.8818  254.249   8.6663 10.81017 11.71443 
1 1 1    0   56    4 o  214.819   7.7024  159.938   11.452  169.234   13.586  137.122   21.285  220.918   8.8854  197.828   15.674 23.09009 18.01737 
1 1 1    0   56    5 o   63.491   19.731   14.024   9.5855   28.137   17.827   8.2840   11.369   88.858   26.775   56.646   21.323 32.21233 34.22817 
1 1 1    0   56    6 f  211.148   6.5459  154.487   9.5661  161.292   13.116  146.751   13.983  215.636   8.7880  205.626   9.8252 10.01009 13.18198 
1 1 1    0   56    7 o  324.590   6.0322  365.052   13.552  380.390   22.009  355.685   17.198  331.025   9.6064  320.269   7.7588 10.75558 12.34831 
1 1 1    0   56    8 o  155.557   7.6821   83.928   8.2708   85.568   10.939   81.738   12.638  156.615   10.146  152.797   12.048 3.817902 15.75109 
1 1 1    0   56    9 o  241.713   5.7692  202.477   9.6514  210.112   12.929  192.868   14.504  246.098   7.5909  235.673   8.8921 10.42479 11.69153 
1 1 1    0   56   10 o  116.541   9.9197   47.568   7.9251   58.293   11.033   36.136   11.391  128.687   12.547  100.129   17.048 28.55804 21.16760 
1 1 1    0   56   11 o  153.530   6.9062   81.795   7.3385   89.312   9.6845   71.657   11.246  160.059   8.7757  142.909   11.467 17.14986 14.43941 
1 1 1    0   58    0 o  364.314   7.5891  459.656   19.136  421.854   26.125  503.415   28.108  348.873   10.819  381.118   10.656 -32.24509 15.18572 
1 1 1    0   58    1 o  386.497   5.3037  517.330   14.187  521.714   19.894  512.794   20.238  387.991   7.4085  384.645   7.6021 3.346222 10.61498 
1 1 1    0   58    2 o  424.595   6.1055  624.519   17.942  628.482   21.758  616.097   31.717  425.839   7.3824  421.251   10.879 4.588470 13.14712 
1 1 1    0   58    3 o  205.919   6.8381  146.936   9.7457  143.607   13.297  150.800   14.325  203.449   9.4435  208.453   9.9289 -5.004883 13.70270 
1 1 1    0   58    4 o  150.592   9.3305   78.988   9.6769   85.166   11.959   67.268   16.470  156.189   11.136  137.664   17.696 18.52452 20.90819 
1 1 1    0   58    5 o  234.952   6.1379  191.270   9.9811  191.462   13.935  191.068   14.303  234.932   8.5700  234.674   8.8063 0.2577972 12.28799 
1 1 1    0   58    6 o  316.314   5.4325  346.615   11.893  346.125   16.726  347.116   16.915  315.926   7.6493  316.371   7.7249 -0.4453125 10.87138 
1 1 1    0   58    7 o  218.736   6.3106  165.835   9.5537  171.670   13.171  159.357   13.879  222.403   8.5566  214.218   9.3608 8.185440 12.68225 
1 1 1    0   58    8 o  160.377   8.9183   89.597   9.8601   88.896   11.290   91.854   20.242  159.574   10.277  160.679   18.542 -1.104843 21.19997 
1 1 1    0   58    9 o  108.161   10.409   41.075   7.6957   40.503   10.009   41.902   12.035  106.803   13.868  108.090   16.620 -1.287079 21.64599 
1 1 1    0   58   10 f  158.633   7.5396   87.365   8.2778   98.152   10.885   72.569   12.748  167.728   9.4143  143.554   12.971 24.17416 16.02738 
1 1 1    0   58   11 o  250.164   7.0676  217.278   12.237  204.390   23.966  221.822   14.232  240.975   14.436  252.633   8.1396 -11.65770 16.57270 
1 1 1    0   58   12 o   91.485   10.858   29.624   6.7407   42.229   9.0141   13.633   10.153  109.203   12.132   62.659   20.406 46.54412 23.73977 
1 1 1    0   60    0 o  227.310   12.885  179.854   20.188   0.0000   0.0000  179.854   20.188  ?   ?   227.310   12.885 0.000000 12.88516 
1 1 1    0   60    1 o  401.363   5.3290  557.982   14.803  569.058   21.027  547.097   20.844  405.146   7.4989  397.243   7.5815 7.902313 10.66357 
1 1 1    0   60    2 o  392.485   5.4229  533.600   14.731  568.873   21.383  501.739   20.322  405.058   7.6274  380.398   7.7190 24.65991 10.85176 
1 1 1    0   60    3 o  414.312   7.4606  595.160   21.393  595.160   21.393   0.0000   0.0000  414.312   7.4606  ?   ?  0.000000 7.460568 
1 1 1    0   60    4 o   76.062   15.631   20.927   7.9537   22.972   11.203   18.849   11.294   79.382   20.308   72.522   21.179 6.860741 29.34207 
1 1 1    0   60    5 o  301.186   5.5559  314.296   11.582  333.971   16.389  294.667   16.369  310.305   7.6309  291.431   8.1155 18.87436 11.13964 
1 1 1    0   60    6 o  313.361   6.6338  340.442   14.388  339.707   26.778  340.740   17.059  312.302   12.389  313.380   7.8651 -1.077850 14.67450 
1 1 1    0   60    7 f  151.930   8.1111   80.350   8.4982   95.487   11.823   64.167   12.224  165.377   10.382  134.987   13.255 30.38969 16.83679 
1 1 1    0   60    8 o   98.474   11.800   34.272   7.8824   28.241   10.489   42.098   11.948   88.093   17.815  108.368   16.447 -20.27477 24.24618 
1 1 1    0   60    9 o  190.483   7.7074  125.993   10.161  126.894   12.243  124.000   18.214  191.017   9.2609  187.703   14.124 3.314758 16.88912 
1 1 1    0   60   10 o   84.535   13.199   25.587   7.4698   31.485   9.7679   17.280   11.593   93.432   15.659   69.677   21.706 23.75562 26.76511 
1 1 1    0   60   11 o  197.263   6.7762  135.127   9.2514  148.634   13.473  123.079   12.725  206.553   9.4247  187.653   9.8323 18.90009 13.61979 
1 1 1    0   60   12 o   87.340   11.041   27.097   6.5250   35.247   8.5146   15.501   10.156   99.442   12.658   65.636   20.296 33.80602 23.91948 
1 1 1    0   62    0 o  187.964   10.129  122.855   13.128  130.146   18.859  116.000   18.287  193.041   14.215  182.136   14.630 10.90511 20.39876 
1 1 1    0   62    1 o  309.214   6.5080  331.413   13.928  345.659   24.656  324.737   16.879  315.277   11.299  305.960   7.9708 9.316620 13.82774 
1 1 1    0   62    2 o  232.624   7.4461  187.672   11.988  200.408   14.532  160.537   21.212  240.290   8.7380  214.045   14.402 26.24544 16.84553 
1 1 1    0   62    3 o  300.450   5.6217  312.787   11.690  334.187   16.755  292.488   16.318  310.374   7.7998  290.335   8.1207 20.03845 11.25978 
1 1 1    0   62    4 f  132.252   9.3072   61.049   8.4649   83.111   11.992   39.142   11.950  154.142   11.320  104.386   17.135 49.75578 20.53700 
1 1 1    0   62    5 o  339.041   6.1126  398.467   14.344  403.171   23.925  395.828   17.921  340.527   10.151  337.752   7.6665 2.775299 12.72112 
1 1 1    0   62    6 o  198.527   6.9967  136.720   9.6136  150.107   13.751  123.924   13.445  207.802   9.5614  188.459   10.348 19.34283 14.08873 
1 1 1    0   62    7 o   50.491   19.383   6.1542   9.5098  -5.3317   17.691   10.822   11.278   53.794   23.861   59.726   21.443 -5.932026 32.08038 
1 1 1    0   62    8 o  178.425   8.1223  110.601   10.030  112.564   12.454  106.976   16.923  179.538   10.063  174.231   14.156 5.306763 17.36789 
1 1 1    0   62    9 o  221.264   7.4204  170.040   11.364  172.760   13.386  163.024   21.501  222.877   8.6777  215.074   14.529 7.802673 16.92343 
1 1 1    0   62   10 o  198.961   6.5026  137.428   8.9543  157.727   12.384  115.187   12.963  212.920   8.4034  181.415   10.367 31.50500 13.34504 
1 1 1    0   62   11 o   51.873   17.497   8.9990   7.4486   9.2571   9.0814   8.4683   13.021   54.259   19.267   58.397   22.609 -4.138420 29.70515 
1 1 1    0   64    1 o  160.213   8.3966   89.351   9.2782   68.830   13.406  108.218   12.854  139.725   14.053  176.079   10.597 -36.35414 17.60092 
1 1 1    0   64    2 o  195.494   7.0978  132.563   9.6036  135.297   13.694  129.917   13.472  197.015   10.076  193.042   10.119 3.972977 14.27995 
1 1 1    0   64    3 o  165.662   7.7950   95.246   8.9375  103.379   12.594   86.996   12.685  172.053   10.628  157.612   11.712 14.44136 15.81587 
1 1 1    0   64    4 f  257.454   8.1192  230.132   14.467  242.829   19.277  213.756   21.892  264.163   10.544  247.191   12.840 16.97240 16.61423 
1 1 1    0   64    5 o  275.069   5.9276  262.325   11.285  280.845   16.356  245.501   15.589  284.357   8.3109  265.843   8.4728 18.51346 11.86842 
1 1 1    0   64    6 o   47.080   18.024   5.3962   8.2087   1.4739   11.717   9.1771   11.504   48.779   20.493   57.674   21.500 -8.895428 29.70196 
1 1 1    0   64    7 o  272.516   5.9234  257.560   11.172  265.698   16.019  249.853   15.589  276.488   8.3711  268.112   8.4011 8.375031 11.85974 
1 1 1    0   64    8 o   80.993   14.709   23.724   7.9418   17.649   11.104   30.087   11.364   69.978   21.142   90.570   18.746 -20.59225 28.25565 
1 1 1    0   64    9 o   51.288   17.764   8.4822   7.6879   11.866   10.339   4.2960   11.499   59.953   20.609   51.269   20.791 8.683609 29.27455 
1 1 1    0   66    0 o  308.504   8.2099  329.941   17.530  357.951   25.670  305.463   23.997  321.055   11.552  296.571   11.691 24.48395 16.43552 
1 1 1    0   66    1 o   52.864   19.420   7.9471   9.3225   2.2741   11.281   20.166   16.556   48.858   20.284   77.226   26.086 -28.36863 33.04414 
1 1 1    0   66    2 o  194.157   7.1408  130.811   9.5957  145.617   13.844  117.117   13.313  204.606   9.7758  183.119   10.549 21.48717 14.38203 
1 1 1    0   66    3 o  116.504   15.270   48.358   12.016   48.358   12.016   0.0000   0.0000  116.504   15.270  ?   ?  0.000000 15.26983 
1 1 1    0   66    4 o  208.370   6.7603  150.651   9.7494  180.801   14.294  124.425   13.331  228.030   9.0571  188.769   10.242 39.26067 13.67246 
1 1 1    0   66    5 f   58.339   19.560   11.394   9.3076   13.147   11.291   7.6780   16.442   63.069   21.541   62.679   25.056 0.3898926 33.04300 
1 1 1    0   66    6 o  112.733   10.883   44.727   8.3860   51.916   12.060   37.997   11.669  120.760   14.735  102.512   17.045 18.24759 22.53129 
1 1 1    0   66    7 o  147.541   8.7512   76.013   8.8963   80.163   12.232   71.351   12.963  150.990   11.798  142.072   13.339 8.917923 17.80833 
1 1 1    0   66    8 o   42.691   18.286  -0.0987   9.6418 -30.7171   18.276   11.710   11.350   41.269   20.075   60.725   21.542 -19.45625 29.44584 
1 1 1    0   68    0 o  173.850   16.761  106.439   19.918  106.439   19.918   0.0000   0.0000  173.850   16.761  ?   ?  0.000000 16.76143 
1 1 1    0   68    1 o  228.564   6.7026  181.285   10.603  195.437   15.064  167.388   14.927  237.032   9.1822  219.281   9.8355 17.75108 13.45544 
1 1 1    0   68    2 o  158.298   8.5019   87.356   9.2806   94.956   13.524   80.592   12.759  164.489   11.961  151.408   12.281 13.08086 17.14353 
1 1 1    0   68    3 o   52.266   20.890   5.1226   11.426   0.0000   0.0000   5.1226   11.426  ?   ?    52.266   20.890 0.000000 20.88968 
1 1 1    0   68    4 o  127.505   9.8935   56.969   8.6625   62.621   12.212   51.245   12.289  133.050   13.447  119.850   15.154 13.20024 20.25939 
1 1 1    0   68    5 o  119.216   10.370   49.933   8.4714   54.070   12.258   46.151   11.721  123.212   14.662  113.550   15.304 9.661919 21.19392 
1 1 1    0   68    6 o  143.756   10.039   72.427   9.9253   67.419   12.228   82.098   16.992  138.085   12.946  151.578   16.461 -13.49345 20.94216 
1 1 1    0   70    0 o  158.699   12.210   88.135   13.308  120.195   19.466   60.000   18.236  184.960   15.345  129.032   21.153 55.92795 26.13215 
1 1 1    0   70    1 f  190.672   7.4296  126.318   9.8046  123.216   14.120  129.206   13.625  187.570   10.924  192.219   10.279 -4.649643 14.99934 
1 1 1    0   70    2 o   73.007   18.655   19.635   9.4609   8.4146   15.518   26.274   11.936   61.950   24.476   84.182   20.644 -22.23244 32.01949 
1 1 1    0   70    3 o   78.146   16.055   22.309   8.3929   18.674   11.622   26.270   12.133   71.731   21.620   84.102   20.929 -12.37036 30.09023 
1 1 1    0   70    4 o   78.175   16.024   22.344   8.3786   23.024   11.464   21.564   12.276   78.770   20.742   76.479   22.007 2.290825 30.24136 
1 1 1    1    1    2 o  830.958   6.1682  2389.59   35.474  2299.01   48.358  2495.14   52.198  815.039   8.5726  849.090   8.8823 -34.05127 12.34446 
1 1 1    1    1    3 o  333.387   3.7117  384.637   8.5643  381.548   12.077  387.761   12.147  332.042   5.2551  334.735   5.2432 -2.692810 7.423396 
1 1 1    1    1    4 o  1369.75   9.4518  6493.53   89.605  6434.15  125.468  6555.35  128.013  1363.39   13.296  1376.17   13.440 -12.77832 18.90588 
1 1 1    1    1    5 o  1608.80   10.963  8958.40  122.068  8821.85  169.775  9104.53  175.634  1596.35   15.366  1621.71   15.648 -25.36328 21.93130 
1 1 1    1    1    6 o  2060.89   13.844 14703.67  197.467 14842.32  282.126 14570.51  276.481  2070.16   19.691  2051.14   19.476 19.02588 27.69530 
1 1 1    1    1    7 o  1076.04   8.9044  4008.04   66.315  4010.84   81.237  4002.44  114.809  1076.34   10.905  1074.97   15.431 1.365112 18.89560 
1 1 1    1    1    8 f  225.147   4.9173  175.448   7.6624  172.232   9.3676  181.951   13.320  223.064   6.0677  229.246   8.3950 -6.181564 10.35821 
1 1 1    1    1    9 o  710.329   5.6927  1746.42   27.987  1740.00   39.484  1752.91   39.676  708.954   8.0468  711.577   8.0563 -2.622864 11.38658 
1 1 1    1    1   10 o  673.423   5.5390  1569.57   25.816  1572.75   36.539  1566.40   36.481  674.061   7.8321  672.698   7.8355 1.362610 11.07865 
1 1 1    1    1   11 o  563.106   5.8554  1097.44   22.820  1112.69   28.247  1068.78   38.721  566.988   7.1983  555.641   10.069 11.34711 12.37718 
1 1 1    1    1   12 o  1067.53   7.7514  3944.57   57.271  3950.23   81.121  3938.94   80.866  1068.17   10.973  1066.65   10.954 1.527344 15.50448 
1 1 1    1    1   13 o  547.779   5.1669  1038.52   19.589  1036.03   27.667  1041.02   27.738  547.086   7.3069  548.402   7.3081 -1.315735 10.33441 
1 1 1    1    1   14 o  1280.62   10.466  5679.46   92.760  5687.56  113.799  5663.42  160.126  1281.30   12.832  1277.89   18.105 3.413208 22.19127 
1 1 1    1    1   15 o  697.215   5.8542  1682.75   28.250  1689.25   40.020  1676.30   39.883  698.447   8.2788  695.765   8.2822 2.681763 11.71037 
1 1 1    1    1   16 o  410.069   4.9938  582.136   14.173  597.932   20.237  566.929   19.857  415.517   7.0368  404.599   7.0909 10.91812 9.989844 
1 1 1    1    1   17 o  398.370   5.7516  549.609   15.858  537.022   19.319  575.610   27.766  393.703   7.0898  407.380   9.8478 -13.67789 12.13442 
1 1 1    1    1   18 o  219.695   5.8233  167.213   8.8546  168.745   12.674  165.752   12.376  220.573   8.3021  218.615   8.1793 1.957474 11.65441 
1 1 1    1    1   19 o  113.083   11.376   44.949   8.7830   49.707   15.200   42.564   10.762  117.400   19.383  109.454   14.568 7.946655 24.24672 
1 1 1    1    1   20 o   45.078   18.754   1.7980   9.6722   6.0976   13.747  -2.4166   13.611   57.179   22.892   48.696   21.287 8.483845 31.26047 
1 1 1    1    1   22 o   40.168   16.191   2.7534   6.9281   8.4857   9.8488  -2.8615   9.7475   53.882   19.931   39.949   17.716 13.93348 26.66707 
1 1 1    1    3    1 o  938.193   9.5979  3046.33   62.322  3066.34   88.702  3026.83   87.583  941.219   13.617  935.136   13.532 6.082581 19.19710 
1 1 1    1    3    2 o  3460.27   26.416 41468.94  632.645 41515.96  775.836 41375.61  1092.94  3461.51   32.384  3453.54   45.725 7.972656 56.03119 
1 1 1    1    3    3 o  668.295   5.2721  1545.61   24.385  1559.42   34.725  1532.17   34.252  671.262   7.4743  665.373   7.4378 5.889038 10.54445 
1 1 1    1    3    4 f  1082.75   8.8725  4057.45   66.489  4052.28   81.383  4067.80  115.303  1082.04   10.867  1084.02   15.368 -1.983887 18.82234 
1 1 1    1    3    5 o  339.119   3.9024  397.980   9.1594  396.021   12.933  399.951   12.974  338.279   5.5240  339.954   5.5139 -1.674164 7.804995 
1 1 1    1    3    6 o  1124.63   9.2215  4377.65   71.777  4446.83  126.511  4344.81   87.164  1133.27   16.129  1120.35   11.241 12.91895 19.66005 
1 1 1    1    3    7 o  375.886   4.7888  488.987   12.458  514.146   21.836  476.844   15.170  385.402   8.1862  371.181   5.9049 14.22107 10.09361 
1 1 1    1    3    8 o  573.299   5.7374  1137.65   22.765  1151.71   39.502  1130.66   27.856  576.703   9.8968  571.502   7.0425 5.200989 12.14674 
1 1 1    1    3    9 o  683.686   6.4242  1617.95   30.399  1627.84   37.348  1598.54   52.324  685.732   7.8694  679.407   11.127 6.324036 13.62884 
1 1 1    1    3   10 o  657.499   5.4665  1496.21   24.876  1490.98   35.014  1501.54   35.349  656.309   7.7083  658.626   7.7546 -2.317688 10.93394 
1 1 1    1    3   11 o  1525.64   10.510  8057.85  110.975  8099.95  157.798  8016.65  156.100  1529.33   14.908  1521.45   14.824 7.877808 21.02398 
1 1 1    1    3   12 o  779.987   7.1165  2105.73   38.418  2170.73   68.444  2075.83   46.420  791.780   12.490  774.395   8.6609 17.38477 15.19890 
1 1 1    1    3   13 o  346.494   5.5317  415.531   13.266  430.000   22.970  408.291   16.249  352.424   9.4172  343.448   6.8359 8.975922 11.63673 
1 1 1    1    3   14 o  245.499   5.5203  208.610   9.3798  210.670   13.456  206.664   13.082  246.682   7.8815  244.327   7.7360 2.354675 11.04374 
1 1 1    1    3   15 o  692.243   6.7657  1659.02   32.415  1660.96   39.665  1655.12   56.244  692.573   8.2750  691.125   11.758 1.447815 14.37812 
1 1 1    1    3   16 o  778.839   6.2667  2100.41   33.780  2148.39   48.551  2055.40   47.030  787.441   8.9085  770.220   8.8223 17.22113 12.53768 
1 1 1    1    3   17 o  172.628   6.7562  103.237   8.0722  103.008   11.338  103.471   11.495  172.081   9.5576  172.457   9.6696 -0.3768311 13.59589 
1 1 1    1    3   18 o  247.513   5.5104  212.215   9.4397  208.562   13.255  215.974   13.446  245.249   7.8092  249.571   7.7845 -4.321381 11.02644 
1 1 1    1    3   19 o  123.386   12.094   53.526   10.195   49.902   14.007   57.610   14.868  118.012   17.694  127.044   17.364 -9.031471 24.79072 
1 1 1    1    3   20 o  153.352   8.5951   81.993   9.0858   81.008   11.289   83.805   15.308  152.097   10.794  153.993   14.535 -1.895782 18.10482 
1 1 1    1    3   21 o  117.453   9.5348   48.388   7.6840   55.310   11.140   42.106   10.613  124.937   13.076  108.506   14.494 16.43093 19.52131 
1 1 1    1    3   22 o   80.886   24.338   24.473   14.737   0.0000   0.0000   24.473   14.737  ?   ?    80.886   24.338 0.000000 24.33824 
1 1 1    1    5    0 o  895.057   6.5330  2772.49   40.471  2725.33   56.309  2822.88   58.206  887.391   9.1683  903.131   9.3120 -15.74048 13.06792 
1 1 1    1    5    1 o  2281.76   21.543 18026.82  340.213 18039.02  481.375 18014.63  480.892  2281.91   30.479  2280.37   30.469 1.542480 43.09742 
1 1 1    1    5    2 o  846.855   8.8942  2482.03   52.131  2497.07   74.145  2467.32   73.310  849.378   12.613  844.303   12.545 5.075195 17.78951 
1 1 1    1    5    3 o  1106.24   9.0476  4235.35   69.272  4129.38   82.564  4487.32  127.312  1092.29   10.921  1138.54   16.156 -46.25464 19.50137 
1 1 1    1    5    4 o  1581.69   10.783  8658.88  118.046  8604.53  165.799  8714.75  168.108  1576.60   15.194  1586.66   15.308 -10.06177 21.56888 
1 1 1    1    5    5 o  2040.39   15.834 14412.82  223.610 14741.46  397.271 14260.42  270.535  2062.65   27.828  2029.38   19.261 33.27563 33.84370 
1 1 1    1    5    6 o  474.654   5.1157  779.698   16.806  800.488   29.218  769.418   20.545  480.913   8.7781  471.507   6.2956 9.405853 10.80227 
1 1 1    1    5    7 o  536.281   4.7720  995.344   17.712  998.818   25.138  991.919   24.960  537.190   6.7611  535.331   6.7367 1.858276 9.544444 
1 1 1    1    5    8 o  873.789   7.5523  2643.21   45.673  2643.36   56.061  2642.93   78.765  873.725   9.2706  873.399   13.030 0.3257446 15.99132 
1 1 1    1    5    9 o  653.315   5.4058  1477.29   24.443  1491.55   34.830  1463.44   34.311  656.408   7.6666  650.193   7.6246 6.214783 10.81261 
1 1 1    1    5   10 o  531.378   4.8972  977.232   18.011  969.643   25.326  984.998   25.619  529.284   6.9135  533.459   6.9387 -4.174194 9.794982 
1 1 1    1    5   11 o  1055.37   7.6565  3855.16   55.925  3864.31   79.275  3846.10   78.907  1056.51   10.841  1054.02   10.817 2.491943 15.31452 
1 1 1    1    5   12 o  222.486   7.5564  171.335   11.636  171.335   11.636   0.0000   0.0000  222.486   7.5564  ?   ?  0.000000 7.556434 
1 1 1    1    5   13 o  672.548   6.5540  1565.62   30.508  1610.73   54.652  1545.21   36.769  682.012   11.578  668.114   7.9517 13.89752 14.04577 
1 1 1    1    5   14 o  174.989   6.7578  105.999   8.1845  107.875   11.708  104.207   11.445  176.239   9.6353  173.212   9.5844 3.027390 13.59042 
1 1 1    1    5   15 f  430.666   4.9726  641.996   14.822  635.616   20.860  648.501   21.064  428.469   7.0342  432.791   7.0322 -4.321320 9.946467 
1 1 1    1    5   16 o  558.362   5.3501  1079.38   20.676  1077.19   29.065  1081.62   29.418  557.674   7.5302  558.813   7.6063 -1.139587 10.70323 
1 1 1    1    5   17 o  432.154   5.0637  646.679   15.146  639.512   21.239  654.094   21.604  429.622   7.1429  434.490   7.1841 -4.867371 10.13071 
1 1 1    1    5   18 o  267.401   7.5578  247.913   13.987   0.0000   0.0000  247.913   13.987  ?   ?   267.401   7.5578 0.000000 7.557829 
1 1 1    1    5   19 o   71.158   16.842   18.450   8.1653   8.8098   14.744   22.714   9.8066   61.859   24.029   78.877   18.315 -17.01734 30.21284 
1 1 1    1    5   20 o   33.887   14.940  -1.9264   6.8321  -6.8543   9.6048   3.1206   9.7203   36.387   16.711   46.772   19.060 -10.38551 25.34829 
1 1 1    1    5   21 o  206.236   7.2323  147.798   10.323  154.878   17.753  144.182   12.689  209.962   12.270  203.466   9.0109 6.496231 15.22339 
1 1 1    1    5   22 o  102.178   11.036   37.012   7.6803   21.995   10.346   55.446   11.463   76.722   19.456  124.672   13.500 -47.94983 23.68080 
1 1 1    1    7    0 f  2433.02   16.208 20491.48  272.927 20367.86  383.438 20618.43  388.567  2425.30   22.843  2440.17   23.007 -14.86182 32.42134 
1 1 1    1    7    1 o  345.324   4.3205  412.678   10.326  424.634   18.302  407.095   12.507  350.283   7.5493  342.979   5.2688 7.304596 9.206050 
1 1 1    1    7    2 o  2918.47   27.389 29502.37  553.226 29043.90  768.648 29995.12  796.873  2894.43   38.370  2941.34   39.144 -46.90820 54.81330 
1 1 1    1    7    3 o  1825.26   17.444 11533.64  220.365 11482.93  310.122 11585.37  313.187  1820.89   24.608  1828.98   24.741 -8.096191 34.89503 
1 1 1    1    7    4 o  1080.36   8.8870  4039.55   66.451  4014.44   80.756  4092.20  116.941  1076.97   10.834  1087.25   15.540 -10.28394 18.94414 
1 1 1    1    7    5 o  1718.06   11.659 10216.96  138.630 10193.87  195.598 10240.26  196.510  1715.91   16.470  1719.81   16.509 -3.898071 23.31982 
1 1 1    1    7    6 o  832.746   6.2689  2400.02   36.131  2362.23   50.378  2440.04   51.848  826.126   8.8108  839.620   8.9223 -13.49402 12.53943 
1 1 1    1    7    7 o  396.800   4.2384  544.912   11.640  555.104   16.676  535.228   16.255  400.476   6.0165  393.242   5.9724 7.234406 8.477457 
1 1 1    1    7    8 o  480.520   4.5890  799.160   15.262  804.150   21.670  794.249   21.498  481.982   6.4960  479.006   6.4845 2.976166 9.178607 
1 1 1    1    7    9 o  357.438   4.9535  442.186   12.254  453.041   15.337  423.024   20.378  361.786   6.1252  349.564   8.4227 12.22180 10.41442 
1 1 1    1    7   10 o  574.623   5.9026  1142.81   23.475  1154.40   28.827  1120.00   40.446  577.510   7.2122  568.778   10.274 8.731201 12.55300 
1 1 1    1    7   11 o  787.471   6.1525  2146.21   33.532  2145.73   47.410  2146.69   47.433  787.332   8.7004  787.507   8.7026 -0.1755371 12.30576 
1 1 1    1    7   12 o  815.030   6.3444  2299.12   35.788  2332.22   51.323  2267.79   49.930  820.811   9.0343  809.398   8.9129 11.41302 12.69087 
1 1 1    1    7   13 o  316.144   4.8435  345.915   10.598  358.838   15.274  333.916   14.718  321.976   6.8540  310.594   6.8465 11.38190 9.687678 
1 1 1    1    7   14 o  1542.18   10.656  8236.80  113.733  8304.48  162.308  8171.52  159.416  1547.88   15.150  1535.46   15.001 12.41687 21.32052 
1 1 1    1    7   15 o  388.713   5.7045  523.054   15.347  520.597   18.903  527.805   26.286  387.766   7.0436  390.353   9.7293 -2.586945 12.01132 
1 1 1    1    7   16 o  503.851   6.0292  879.038   21.025  881.148   25.572  874.634   36.938  504.384   7.3252  502.275   10.626 2.109375 12.90592 
1 1 1    1    7   17 o  458.059   5.0950  726.549   16.153  734.671   23.034  718.691   22.657  460.465   7.2278  455.432   7.1878 5.032166 10.19338 
1 1 1    1    7   18 o  368.418   5.8284  470.252   14.862  490.052   18.382  432.878   25.254  375.992   7.0637  353.037   10.335 22.95508 12.51873 
1 1 1    1    7   19 o  287.512   5.2813  286.427   10.509  279.322   14.689  293.879   15.043  283.741   7.4796  291.041   7.4678 -7.300537 10.56941 
1 1 1    1    7   20 o  225.157   5.7941  175.795   9.0292  179.544   12.746  172.019   12.792  227.323   8.1015  222.485   8.3074 4.837524 11.60379 
1 1 1    1    7   21 o   78.338   16.102   22.435   8.4387   21.174   10.303   25.005   14.708   75.665   19.539   82.242   24.212 -6.576881 31.11235 
1 1 1    1    7   22 o  114.268   11.225   46.231   8.7629   50.383   10.483   36.600   15.965  118.909   12.947   98.005   23.779 20.90371 27.07533 
1 1 1    1    9    0 o  1408.73   9.6816  6868.31   94.395  6830.58  132.714  6906.94  134.290  1404.77   13.650  1412.60   13.736 -7.829224 19.36460 
1 1 1    1    9    1 f  2701.57   17.951 25266.82  335.637 25343.93  476.152 25190.68  473.188  2705.15   25.432  2696.97   25.350 8.184570 35.90829 
1 1 1    1    9    2 o  1113.29   11.133  4289.71   85.783  4250.73  120.498  4329.76  122.151  1108.13   15.711  1118.38   15.781 -10.25146 22.26835 
1 1 1    1    9    3 o  1925.31   18.353 12833.42  244.560 12770.73  343.909 12897.56  347.846  1920.17   25.878  1929.67   26.045 -9.500244 36.71527 
1 1 1    1    9    4 o  3991.34   37.297 55243.88  1030.31 55268.29  1457.81 55219.51  1456.35  3988.07   52.816  3986.32   52.786 1.750732 74.67134 
1 1 1    1    9    5 o  1274.60   10.250  5623.12   90.424  5521.95  153.323  5677.08  111.969  1262.84   17.542  1280.63   12.633 -17.79065 21.61739 
1 1 1    1    9    6 o  1307.96   9.1041  5921.58   82.416  5998.53  118.161  5848.67  115.009  1316.28   12.970  1299.74   12.785 16.53809 18.21222 
1 1 1    1    9    7 o  400.485   4.2500  555.088   11.780  556.829   16.740  553.380   16.581  401.093   6.0301  399.849   5.9915 1.243469 8.500581 
1 1 1    1    9    8 o  459.281   5.2694  730.109   16.750  733.171   29.796  728.695   20.253  460.147   9.3558  458.815   6.3779 1.331848 11.32293 
1 1 1    1    9    9 o  953.894   8.1038  3149.86   53.501  3141.60   65.552  3166.34   92.593  952.562   9.9429  956.070   13.993 -3.507568 17.16584 
1 1 1    1    9   10 o  664.193   5.5011  1526.82   25.288  1601.30   37.150  1462.50   34.521  680.159   7.8918  650.018   7.6732 30.14099 11.00716 
1 1 1    1    9   11 o  1438.52   19.881  7170.73  197.940  7170.73  197.940   0.0000   0.0000  1438.52   19.881  ?   ?  0.000000 19.88109 
1 1 1    1    9   12 o  1308.70   9.1895  5928.90   83.236  5980.44  118.835  5879.27  116.624  1314.16   13.065  1303.00   12.932 11.15466 18.38312 
1 1 1    1    9   13 f  890.332   6.7777  2743.83   41.765  2809.17   60.422  2684.06   57.795  900.754   9.6920  880.477   9.4840 20.27716 13.56030 
1 1 1    1    9   14 o  626.987   6.4131  1360.79   27.829  1453.17   50.978  1321.57   33.216  647.714   11.372  617.843   7.7676 29.87103 13.77130 
1 1 1    1    9   15 o  733.651   6.0264  1863.33   30.600  1873.77   43.494  1853.10   43.060  735.561   8.5434  731.497   8.5052 4.064087 12.05521 
1 1 1    1    9   16 o  621.143   5.5493  1335.85   23.856  1356.86   34.193  1315.91   33.301  625.843   7.8939  616.334   7.8067 9.508972 11.10216 
1 1 1    1    9   17 o  227.988   11.760  180.976   18.493   0.0000   0.0000  180.976   18.493  ?   ?   227.988   11.760 0.000000 11.75992 
1 1 1    1    9   18 o  306.349   5.1542  325.074   10.928  339.345   15.532  311.085   15.379  312.865   7.1730  299.536   7.4181 13.32904 10.31892 
1 1 1    1    9   19 o  130.094   8.3370   58.998   7.4671   54.601   10.255   63.959   10.893  124.619   12.040  135.007   11.776 -10.38780 16.84183 
1 1 1    1    9   20 o  156.944   8.3191   85.844   9.0042   89.278   11.278   79.805   14.955  159.775   10.252  150.192   14.570 9.582672 17.81557 
1 1 1    1    9   21 o  237.127   5.8925  195.137   9.6708  177.325   13.223  215.619   14.180  225.707   8.4649  248.927   8.2304 -23.22040 11.80649 
1 1 1    1   11    0 o  1568.56   10.696  8515.53  116.119  8374.54  161.251  8667.39  167.352  1555.41   14.979  1582.37   15.281 -26.95313 21.39794 
1 1 1    1   11    1 o  1949.99   15.142 13162.56  204.364 13151.21  250.102 13185.37  354.515  1949.01   18.541  1951.11   26.253 -2.100342 32.13979 
1 1 1    1   11    2 o  1707.97   13.376 10097.40  158.120 10126.83  274.925 10082.85  193.287  1710.05   23.229  1706.64   16.364 3.411255 28.41400 
1 1 1    1   11    3 o  1051.29   10.680  3825.26   77.706  3840.00  110.282  3810.73  109.507  1053.23   15.129  1049.21   15.080 4.020386 21.36104 
1 1 1    1   11    4 o  985.128   14.372  3359.51   97.992   0.0000   0.0000  3359.51   97.992  ?   ?   985.128   14.372 0.000000 14.37206 
1 1 1    1   11    5 o  1163.74   16.513  4689.27  133.003   0.0000   0.0000  4689.27  133.003  ?   ?   1163.74   16.513 0.000000 16.51307 
1 1 1    1   11    6 o  1293.64   9.0242  5792.85   80.797  5696.25  112.299  5896.52  116.337  1282.64   12.650  1304.97   12.881 -22.33911 18.05379 
1 1 1    1   11    7 o  482.673   4.5457  806.322   15.186  832.695   21.875  781.789   21.098  490.472   6.4439  475.243   6.4142 15.22806 9.092093 
1 1 1    1   11    8 o  379.312   4.2568  497.957   11.175  503.254   15.863  492.737   15.746  381.302   6.0110  377.296   6.0299 4.005646 8.514208 
1 1 1    1   11    9 o  928.712   6.8918  2985.43   44.298  3062.71   64.177  2915.10   61.222  940.545   9.8588  917.609   9.6400 22.93622 13.78855 
1 1 1    1   11   10 o  462.635   4.6780  740.728   14.979  745.090   21.285  736.449   21.082  463.976   6.6283  461.278   6.6036 2.697754 9.356407 
1 1 1    1   11   11 o  610.722   5.3002  1290.85   22.404  1322.40   32.275  1261.52   31.124  618.108   7.5443  603.715   7.4487 14.39307 10.60186 
1 1 1    1   11   12 o  686.019   5.6836  1628.83   26.986  1684.37   39.172  1578.66   37.230  697.569   8.1135  675.328   7.9654 22.24084 11.36997 
1 1 1    1   11   13 o  461.798   4.9056  738.091   15.679  753.709   22.527  723.415   21.837  466.627   6.9752  457.154   6.9016 9.472687 9.812477 
1 1 1    1   11   14 o  349.595   5.5427  423.036   13.411  411.911   16.725  443.073   22.446  344.944   7.0054  357.710   9.0663 -12.76575 11.45747 
1 1 1    1   11   15 o  757.545   7.1207  1987.05   37.334  1994.63   65.728  1983.43   45.363  758.547   12.520  756.755   8.6610 1.792114 15.22342 
1 1 1    1   11   16 o  522.905   5.9552  946.818   21.553  970.244   37.159  934.942   26.457  529.016   10.149  519.529   7.3580 9.487244 12.53562 
1 1 1    1   11   17 o  207.017   6.0810  148.449   8.7128  136.228   11.978  162.182   12.697  198.211   8.7312  216.282   8.4821 -18.07092 12.17291 
1 1 1    1   11   18 o  525.505   5.2281  956.595   19.015  941.913   26.628  971.873   27.163  521.202   7.3817  529.422   7.4130 -8.219849 10.46144 
1 1 1    1   11   19 o  218.448   5.8201  165.406   8.7994  171.915   12.300  158.584   12.593  222.544   7.9859  213.696   8.5146 8.847717 11.67360 
1 1 1    1   11   20 o  142.338   7.8112   70.594   7.6657   73.879   10.805   67.265   10.878  145.175   10.831  138.377   11.461 6.797699 15.76925 
1 1 1    1   11   21 o  217.681   7.1287  164.676   10.740  165.415   18.883  164.322   13.058  216.835   12.637  217.225   8.6853 -0.3902893 15.33423 
1 1 1    1   13    0 o  470.053   4.3446  764.629   14.134  769.493   20.070  759.844   19.909  471.539   6.1496  468.574   6.1388 2.965637 8.689274 
1 1 1    1   13    1 f  238.648   5.1270  197.095   8.4683  197.095   8.4683   0.0000   0.0000  238.648   5.1270  ?   ?  0.000000 5.127007 
1 1 1    1   13    2 o  1046.29   7.4809  3788.64   54.173  3810.67   77.054  3767.11   76.178  1049.28   10.610  1043.27   10.550 6.012939 14.96266 
1 1 1    1   13    3 o  1758.19   13.772 10700.50  167.589 10702.44  290.378 10699.53  205.217  1757.84   23.868  1757.98   16.866 -0.1412354 29.22554 
1 1 1    1   13    4 o  1273.43   12.624  5613.31  111.261  5517.07  154.470  5717.07  160.390  1262.29   17.681  1284.95   18.035 -22.66138 25.25625 
1 1 1    1   13    5 o  822.103   8.8914  2339.29   50.591  2284.39   70.083  2399.02   73.105  812.322   12.465  832.449   12.689 -20.12640 17.78727 
1 1 1    1   13    6 o  1171.58   8.2827  4751.43   67.161  4730.82   77.053  4816.58  137.016  1168.99   9.5237  1179.05   16.791 -10.05920 19.30340 
1 1 1    1   13    7 o  882.215   7.5639  2694.41   46.185  2735.26   57.615  2620.98   77.251  888.785   9.3662  869.792   12.833 18.99353 15.88711 
1 1 1    1   13    8 o  388.305   6.0737  521.903   16.323  521.903   16.323   0.0000   0.0000  388.305   6.0737  ?   ?  0.000000 6.073725 
1 1 1    1   13    9 o  894.110   6.7117  2767.04   41.534  2941.35   62.195  2626.74   55.800  921.740   9.7493  871.069   9.2555 50.67108 13.44295 
1 1 1    1   13   10 o  120.340   6.4496   50.266   5.3522   45.354   7.3863   55.697   7.7665  114.072   9.4404  126.533   8.9256 -12.46072 12.99179 
1 1 1    1   13   11 o  1626.31   11.147  9156.81  125.467  9235.69  179.115  9080.82  175.806  1632.94   15.848  1619.21   15.687 13.73413 22.29950 
1 1 1    1   13   12 o  317.959   5.5522  349.903   12.218  347.397   14.481  356.098   22.765  316.810   6.6041  320.709   10.256 -3.899963 12.19853 
1 1 1    1   13   13 o  987.439   8.4173  3375.57   57.526  3376.06   70.747  3374.63   98.824  987.405   10.352  986.902   14.468 0.5028687 17.79032 
1 1 1    1   13   14 o  861.260   6.6452  2567.83   39.611  2605.61   56.843  2532.17   55.229  867.417   9.4683  855.113   9.3318 12.30402 13.29402 
1 1 1    1   13   15 o  461.776   5.0362  738.144   16.096  759.160   23.291  718.932   22.269  468.231   7.1871  455.661   7.0612 12.56995 10.07551 
1 1 1    1   13   16 o  320.128   5.0590  354.817   11.209  339.604   15.911  369.804   15.793  313.106   7.3424  326.747   6.9836 -13.64136 10.13319 
1 1 1    1   13   17 f  264.685   5.2690  242.624   9.6523  247.773   13.659  237.488   13.642  267.381   7.3808  261.766   7.5299 5.615875 10.54401 
1 1 1    1   13   18 o  306.563   5.9591  325.658   12.644  314.778   15.067  351.561   23.248  301.305   7.2251  318.072   10.560 -16.76730 12.79540 
1 1 1    1   13   19 o   90.782   12.743   29.298   7.7862   24.016   9.5576   39.722   13.426   81.172   17.526  104.606   19.254 -23.43376 26.03559 
1 1 1    1   13   20 o  133.140   8.3462   61.862   7.6520   55.929   10.597   68.328   11.061  125.920   12.317  139.438   11.566 -13.51855 16.89615 
1 1 1    1   13   21 o  143.794   8.8339   72.300   8.7490   68.878   13.835   74.580   11.294  139.092   14.589  145.582   11.297 -6.489639 18.45169 
1 1 1    1   15    0 o  549.204   6.6997  1043.86   25.466  1043.86   25.466   0.0000   0.0000  549.204   6.6997  ?   ?  0.000000 6.699725 
1 1 1    1   15    1 o  1656.99   11.265  9503.10  129.190  9392.64  180.383  9619.44  185.113  1647.18   15.823  1666.94   16.045 -19.75977 22.53433 
1 1 1    1   15    2 o  1632.60   11.118  9225.52  125.633  9052.31  174.055  9413.92  181.524  1617.06   15.552  1649.03   15.905 -31.96838 22.24464 
1 1 1    1   15    3 o  1613.64   15.562  9014.47  173.794  8882.93  241.368  9156.10  250.447  1601.50   21.776  1625.91   22.256 -24.40894 31.13692 
1 1 1    1   15    4 o  1481.56   14.452  7599.37  148.187  7497.56  206.565  7707.32  212.706  1471.29   20.285  1491.70   20.602 -20.41821 28.91295 
1 1 1    1   15    5 o  1666.29   16.096  9616.25  185.633  9556.10  260.781  9678.05  264.304  1660.39   22.693  1670.93   22.854 -10.54138 32.20689 
1 1 1    1   15    6 o  558.607   7.1094  1080.14   27.486  1055.12   38.257  1106.83   39.516  552.024   10.013  565.386   10.098 -13.36188 14.22134 
1 1 1    1   15    7 o  334.753   4.8438  387.853   11.222  386.613   13.356  390.829   20.697  334.206   5.7742  335.970   8.9009 -1.763458 10.60973 
1 1 1    1   15    8 o  559.802   4.9650  1084.61   19.237  1086.02   21.995  1080.00   39.673  560.156   5.6735  558.492   10.264 1.663879 11.72733 
1 1 1    1   15    9 o  1358.20   10.896  6386.88  102.425  6390.24  176.825  6385.19  125.652  1357.91   18.815  1357.86   13.370 0.4907227E-01 23.08146 
1 1 1    1   15   10 o  491.880   5.5904  837.360   19.032  841.951   34.232  835.306   22.897  493.168   10.029  491.265   6.7341 1.903473 12.08020 
1 1 1    1   15   11 o  795.476   6.2066  2190.09   34.171  2182.14   48.222  2198.10   48.428  793.976   8.7754  796.876   8.7807 -2.899414 12.41403 
1 1 1    1   15   12 o  161.026   5.9712   89.745   6.6548   82.118   9.3404   97.608   9.4839  153.765   8.8135  167.920   8.1603 -14.15512 12.01120 
1 1 1    1   15   13 o  818.111   7.4181  2316.97   42.003  2327.00   51.315  2296.58   73.118  819.814   9.0438  814.220   12.975 5.593750 15.81586 
1 1 1    1   15   14 o  772.348   6.1964  2064.97   33.123  2072.17   47.068  2057.90   46.622  773.568   8.7913  770.903   8.7380 2.664856 12.39510 
1 1 1    1   15   15 o  729.512   6.8892  1842.80   34.784  1921.46   61.531  1805.86   42.168  744.462   11.942  722.052   8.4379 22.40991 14.62227 
1 1 1    1   15   16 o  422.917   4.9546  619.259   14.502  645.560   20.935  594.991   20.109  431.697   7.0066  414.444   7.0106 17.25327 9.911660 
1 1 1    1   15   17 o  356.958   4.9168  441.247   12.147  428.269   16.966  454.899   17.400  351.547   6.9728  362.314   6.9389 -10.76724 9.837137 
1 1 1    1   15   18 o  393.959   5.6186  537.750   15.320  526.554   18.783  560.000   26.479  389.708   6.9638  401.565   9.5271 -11.85742 11.80086 
1 1 1    1   15   19 o   66.764   16.609   16.254   7.6430   14.023   8.9588   22.220   14.650   62.818   18.993   78.869   24.373 -16.05193 30.89955 
1 1 1    1   15   20 o   89.902   11.573   28.676   7.0337   24.013   9.7073   33.829   10.206   80.915   17.816   96.876   15.763 -15.96079 23.78835 
1 1 1    1   15   21 o  123.251   8.7704   53.191   7.4327   64.021   10.217   41.016   10.833  134.848   11.044  106.807   15.073 28.04090 18.68621 
1 1 1    1   17    0 o  953.824   6.9610  3148.59   45.953  3122.38   64.453  3175.70   65.536  949.808   9.8046  957.883   9.8853 -8.074768 13.92298 
1 1 1    1   17    1 o  410.143   4.1909  582.145   11.896  570.638   16.616  594.247   17.040  406.064   5.9123  414.379   5.9416 -8.314606 8.381961 
1 1 1    1   17    2 o  198.091   4.3935  135.798   6.0235  127.073   9.7557  141.173   7.6575  191.616   7.3561  201.972   5.4779 -10.35551 9.171729 
1 1 1    1   17    3 o  1838.55   12.431 11701.38  158.179 11421.05  217.751 12014.58  230.161  1816.13   17.324  1862.68   17.853 -46.55762 24.87653 
1 1 1    1   17    4 o  1746.34   16.781 10561.96  202.827   0.0000   0.0000 10561.96  202.827  ?   ?   1746.34   16.781 0.000000 16.78107 
1 1 1    1   17    5 o  1135.86   11.491  4467.34   90.337  4397.56  125.670  4541.95  129.951  1126.64   16.116  1144.96   16.399 -18.32361 22.99262 
1 1 1    1   17    6 o  1160.82   11.732  4667.37   94.257  4569.27  130.422  4774.63  136.375  1148.06   16.414  1173.53   16.790 -25.46838 23.48044 
1 1 1    1   17    7 o  693.556   8.1079  1665.31   38.920  1693.17   55.864  1639.02   54.252  699.183   11.544  687.920   11.395 11.26294 16.22069 
1 1 1    1   17    8 o  493.844   5.4961  844.090   18.785  855.004   22.793  820.976   33.170  497.010   6.6261  486.958   9.8417 10.05206 11.86445 
1 1 1    1   17    9 o  782.312   7.0755  2118.31   38.310  2144.17   47.108  2067.80   65.832  787.036   8.6482  772.781   12.309 14.25562 15.04301 
1 1 1    1   17   10 o  270.620   5.3148  253.460   9.9547  256.422   11.635  245.366   19.232  272.193   6.1759  266.228   10.437 5.964691 12.12752 
1 1 1    1   17   11 o  427.595   4.6369  632.773   13.723  642.791   19.546  623.035   19.271  430.949   6.5532  424.275   6.5625 6.674408 9.274210 
1 1 1    1   17   12 o  266.598   6.0045  246.002   11.079  249.512   15.665  242.488   15.672  268.470   8.4305  264.663   8.5556 3.807434 12.01131 
1 1 1    1   17   13 o  597.909   5.3360  1237.37   22.081  1284.31   32.107  1195.23   30.418  609.085   7.6162  587.588   7.4795 21.49707 10.67473 
1 1 1    1   17   14 o  327.365   4.9179  370.943   11.143  373.878   15.981  368.166   15.544  328.620   7.0264  326.103   6.8871 2.516785 9.838805 
1 1 1    1   17   15 o  903.169   6.8864  2824.73   43.047  2825.45   61.002  2824.01   60.753  902.978   9.7609  902.752   9.7235 0.2255859 13.77757 
1 1 1    1   17   16 o  241.537   5.3717  202.016   8.9799  195.913   12.456  208.622   12.958  237.788   7.5686  245.376   7.6299 -7.588898 10.74704 
1 1 1    1   17   17 o   68.956   16.726   17.253   7.9005  -6.7756   14.768   26.888   9.3511   47.808   21.463   86.424   16.229 -38.61625 26.90783 
1 1 1    1   17   18 o  274.844   5.1046  261.685   9.7102  271.155   13.878  252.603   13.591  279.629   7.1708  269.885   7.2761 9.743622 10.21577 
1 1 1    1   17   19 o  105.066   9.5854   38.704   6.8935   27.146   9.5035   51.537   10.014   86.557   16.465  120.966   12.125 -34.40949 20.44788 
1 1 1    1   17   20 o  181.023   7.4795  113.847   9.3709  124.488   14.999  107.035   12.002  188.438   11.556  174.983   9.9509 13.45517 15.25029 
1 1 1    1   17   21 o  213.335   5.9311  158.012   8.7575  159.808   12.236  156.125   12.540  214.218   8.2527  211.684   8.5590 2.533478 11.88964 
1 1 1    1   19    0 o  1243.55   8.7085  5352.26   74.952  5341.21  105.767  5363.41  106.231  1242.18   12.302  1244.76   12.331 -2.577759 17.41825 
1 1 1    1   19    1 o  965.961   8.1518  3229.41   54.499  3094.63   90.764  3305.40   68.153  945.472   13.870  977.226   10.077 -31.75439 17.14419 
1 1 1    1   19    2 o  937.100   6.8762  3039.24   44.598  2993.96   62.158  3087.27   64.024  930.047   9.6565  944.427   9.7949 -14.38013 13.75451 
1 1 1    1   19    3 f  569.637   4.9008  1122.98   19.322  1085.16   26.638  1164.96   28.068  559.946   6.8736  580.167   6.9900 -20.22119 9.803398 
1 1 1    1   19    4 f  833.235   6.2940  2402.97   36.297  2321.67   49.660  2496.23   53.184  818.958   8.7612  849.178   9.0491 -30.22003 12.59546 
1 1 1    1   19    5 o  1067.09   10.893  3943.24   80.447  3652.20  105.756  4342.93  123.934  1026.65   14.884  1119.42   15.996 -92.76904 21.84961 
1 1 1    1   19    6 o  534.291   7.0775  988.218   26.172  996.585   37.180  980.000   36.848  536.455   10.014  531.972   10.008 4.482422 14.15746 
1 1 1    1   19    7 o  457.537   6.8322  724.623   21.635  763.415   31.563  690.244   29.714  469.563   9.7121  446.496   9.6153 23.06741 13.66674 
1 1 1    1   19    8 o  749.081   5.8955  1942.09   30.565  1967.32   35.407  1868.29   60.551  753.913   6.7857  734.541   11.911 19.37207 13.70786 
1 1 1    1   19    9 o  1405.98   9.7670  6843.13   95.042  6876.27  110.114  6746.34  188.207  1409.30   11.289  1395.30   19.489 14.00208 22.52260 
1 1 1    1   19   10 o  945.951   7.0269  3097.11   46.006  3094.03   52.801  3106.83   93.746  945.455   8.0691  947.183   14.300 -1.728210 16.41970 
1 1 1    1   19   11 o  658.529   7.7945  1501.08   35.525  1501.08   35.525   0.0000   0.0000  658.529   7.7945  ?   ?  0.000000 7.794491 
1 1 1    1   19   12 o  747.752   7.0113  1935.43   36.285  1945.48   44.193  1914.63   63.566  749.644   8.5176  743.518   12.353 6.126587 15.00451 
1 1 1    1   19   13 o  794.752   6.2700  2186.41   34.489  2228.65   49.615  2146.90   47.976  802.279   8.9353  787.433   8.8031 14.84503 12.54323 
1 1 1    1   19   14 o  341.613   5.7063  403.978   13.492  386.797   16.064  445.122   24.858  334.244   6.9439  358.467   10.019 -24.22275 12.19036 
1 1 1    1   19   15 o  405.236   4.8509  568.490   13.605  574.053   19.319  563.016   19.163  407.138   6.8559  403.205   6.8670 3.933289 9.703562 
1 1 1    1   19   16 o  187.891   5.9047  122.267   7.6786  113.392   10.412  132.851   11.370  180.871   8.3170  195.774   8.3912 -14.90233 11.81462 
1 1 1    1   19   17 o  326.178   5.4552  368.529   12.315  365.939   15.372  373.171   20.579  324.942   6.8350  327.951   9.0665 -3.009277 11.35419 
1 1 1    1   19   18 o  139.257   9.0670   67.627   8.6913   90.000   17.025   59.741   10.108  159.701   15.602  130.554   11.298 29.14737 19.26274 
1 1 1    1   19   19 o  169.278   6.8055   99.421   7.9733  106.972   11.321   91.990   11.231  175.137   9.3739  162.274   10.049 12.86351 13.74264 
1 1 1    1   19   20 o   95.897   11.193   32.540   7.2892   39.949   10.008   24.171   10.637  105.803   14.012   80.911   19.271 24.89211 23.82670 
1 1 1    1   19   21 o   48.418   16.462   7.7621   6.5941   16.407   8.7533  -3.5810   10.027   66.706   18.374   39.966   17.831 26.74021 25.60394 
1 1 1    1   21    0 o  664.488   5.3988  1528.11   24.829  1529.67   35.114  1526.54   35.114  664.804   7.6316  664.124   7.6392 0.6800537 10.79809 
1 1 1    1   21    1 o  817.080   6.2154  2310.58   35.149  2252.32   48.545  2374.77   50.958  806.674   8.6950  828.307   8.8888 -21.63342 12.43437 
1 1 1    1   21    2 o  1228.18   9.9778  5221.63   84.816  5131.67  101.909  5424.39  152.993  1217.47   12.094  1251.39   17.665 -33.92065 21.40813 
1 1 1    1   21    3 o  567.853   4.9233  1115.99   19.349  1077.90   26.623  1158.64   28.171  558.052   6.8931  578.570   7.0350 -20.51886 9.849133 
1 1 1    1   21    4 o  976.309   10.066  3300.39   68.015  3300.39   68.015   0.0000   0.0000  976.309   10.066  ?   ?  0.000000 10.06559 
1 1 1    1   21    5 o  395.121   4.2282  540.331   11.563  539.908   16.238  540.766   16.469  394.942   5.9405  395.255   6.0203 -0.3124084 8.457738 
1 1 1    1   21    6 o  309.812   6.6059  332.247   14.165  330.146   19.932  334.390   20.134  308.790   9.3262  310.768   9.3608 -1.977753 13.21369 
1 1 1    1   21    7 o  244.388   9.9056  206.781   16.755   0.0000   0.0000  206.781   16.755  ?   ?   244.388   9.9056 0.000000 9.905622 
1 1 1    1   21    8 o  795.007   8.9058  2187.87   49.003  2209.76   69.986  2166.83   68.634  798.848   12.658  791.055   12.536 7.792480 17.81516 
1 1 1    1   21    9 o  1273.94   8.9691  5617.80   79.082  5612.49   91.038  5634.15  159.633  1273.29   10.330  1275.26   18.086 -1.979126 20.82847 
1 1 1    1   21   10 o  149.308   5.2252   77.153   5.3997   78.558   5.8033   68.098   14.736  150.660   5.5655  139.356   15.543 11.30331 16.50955 
1 1 1    1   21   11 o  935.683   8.1121  3030.62   52.534  3066.93   64.641  2960.00   90.158  941.203   9.9231  924.443   14.091 16.75952 17.23453 
1 1 1    1   21   12 o  909.833   8.0154  2865.71   50.474  2870.17   61.573  2856.58   88.129  910.457   9.7713  908.032   14.023 2.424561 17.09156 
1 1 1    1   21   13 o  490.857   5.7254  833.999   19.451  852.455   23.353  792.195   35.147  496.232   6.7996  478.250   10.618 17.98285 12.60873 
1 1 1    1   21   14 o  130.069   8.2234   58.824   7.3648   57.205   8.3203   64.683   15.829  128.160   9.4468  135.404   17.285 -7.243744 19.69774 
1 1 1    1   21   15 o  216.737   6.4593  162.678   9.6894  163.464   11.365  160.585   18.542  217.231   7.5588  214.760   12.529 2.471008 14.63273 
1 1 1    1   21   16 o  302.907   5.3517  317.743   11.220  325.410   12.892  293.805   22.779  306.508   6.0770  290.912   11.314 15.59592 12.84240 
1 1 1    1   21   17 o  205.906   6.6764  146.941   9.5145  147.716   11.197  144.927   18.048  206.389   7.8385  203.671   12.869 2.717697 15.06858 
1 1 1    1   21   18 o  240.156   7.4779  200.093   12.429  200.093   12.429   0.0000   0.0000  240.156   7.4779  ?   ?  0.000000 7.477929 
1 1 1    1   21   19 o   48.934   16.030   8.0925   6.2620   14.371   8.9640   2.1078   8.7516   63.378   18.962   43.524   17.951 19.85392 26.11056 
1 1 1    1   21   20 o   99.507   10.107   34.881   6.8639   17.175   9.5002   54.217   9.9279   68.504   19.243  123.984   11.708 -55.47993 22.52494 
1 1 1    1   21   21 o  148.262   8.7208   76.924   8.9094   70.227   10.290   96.976   17.806  141.255   10.603  164.592   15.826 -23.33609 19.04948 
1 1 1    1   23    0 o  856.260   9.1329  2538.05   54.124   0.0000   0.0000  2538.05   54.124  ?   ?   856.260   9.1329 0.000000 9.132884 
1 1 1    1   23    1 o  2002.58   13.500 13888.60  187.110 13551.20  257.352 14266.97  272.526  1977.40   18.804  2028.85   19.408 -51.45374 27.02345 
1 1 1    1   23    2 o  396.868   4.2946  545.102   11.796  531.678   16.371  559.600   17.013  391.934   6.0349  402.093   6.1134 -10.15915 8.590327 
1 1 1    1   23    3 o  950.755   9.8709  3129.91   64.953  3129.91   64.953   0.0000   0.0000  950.755   9.8709  ?   ?  0.000000 9.870872 
1 1 1    1   23    4 o  902.960   6.7214  2822.39   42.006  2686.91   56.661  2987.72   62.591  880.899   9.2935  928.874   9.7359 -47.97491 13.45949 
1 1 1    1   23    5 o  872.362   6.5460  2634.27   39.523  2574.60   54.658  2699.66   57.217  862.311   9.1583  882.995   9.3625 -20.68402 13.09697 
1 1 1    1   23    6 o  729.561   5.7809  1842.24   29.190  1929.59   43.002  1767.59   39.751  746.589   8.3220  714.571   8.0375 32.01709 11.56969 
1 1 1    1   23    7 o  325.611   6.7068  366.966   15.114  353.707   21.016  381.171   21.753  319.644   9.4996  331.822   9.4718 -12.17770 13.41484 
1 1 1    1   23    8 o  412.447   6.9313  588.787   19.786  588.293   28.176  589.268   27.791  412.238   9.8753  412.582   9.7325 -0.3437500 13.86520 
1 1 1    1   23    9 o  341.619   7.0468  403.928   16.661  377.122   23.208  432.439   23.935  330.060   10.159  353.443   9.7843 -23.38336 14.10465 
1 1 1    1   23   10 o  526.024   5.5244  957.655   20.113  957.655   20.113   0.0000   0.0000  526.024   5.5244  ?   ?  0.000000 5.524433 
1 1 1    1   23   11 o  740.623   6.9246  1898.65   35.495  1905.98   43.201  1883.42   62.270  742.010   8.4121  737.464   12.200 4.545776 14.81909 
1 1 1    1   23   12 o  345.647   4.6919  413.499   11.224  406.940   12.418  442.780   26.238  342.889   5.2327  357.574   10.602 -14.68460 11.82310 
1 1 1    1   23   14 f  165.822   6.6768   95.209   7.6628   92.725   8.5063  105.902   17.650  163.633   7.5110  174.071   14.790 -10.43813 16.58810 
1 1 1    1   23   15 o  321.018   5.6992  356.845   12.663  361.669   14.991  344.829   23.658  323.141   6.7027  315.307   10.841 7.834564 12.74576 
1 1 1    1   23   16 o  137.699   7.8763   65.940   7.4752   72.098   8.4284   43.244   16.182  143.950   8.4974  109.146   22.177 34.80405 23.74950 
1 1 1    1   23   17 o  142.018   7.8939   70.170   7.7285   65.209   8.7484   87.805   16.493  136.743   9.2990  157.899   15.283 -21.15672 17.88997 
1 1 1    1   23   18 o  140.638   9.2237   69.017   8.9284   67.512   10.646   72.585   16.391  138.818   11.176  142.898   16.900 -4.080643 20.26122 
1 1 1    1   23   19 o   41.558   16.694   2.9179   7.3377  -0.6022   8.4406   13.810   14.847   39.529   17.024   67.559   24.554 -28.02975 29.87869 
1 1 1    1   23   20 f  174.731   7.2137  106.098   8.7238  108.506   9.9094   97.805   18.392  176.605   8.1072  165.614   16.255 10.99107 18.16458 
1 1 1    1   25    0 o  1095.98   9.0775  4158.76   68.857  4083.66   82.787  4327.32  124.028  1085.92   11.015  1117.40   16.037 -31.48181 19.45588 
1 1 1    1   25    1 o  929.278   6.8888  2989.25   44.306  2892.67   60.704  3099.36   64.815  914.020   9.5958  946.094   9.8984 -32.07361 13.78618 
1 1 1    1   25    2 o  600.735   5.1410  1249.07   21.375  1196.47   29.204  1309.76   31.370  587.903   7.1774  615.099   7.3687 -27.19666 10.28649 
1 1 1    1   25    3 o  1185.41   9.6817  4865.87   79.432  4753.01   95.070  5126.83  144.562  1171.41   11.726  1215.95   17.178 -44.54016 20.79844 
1 1 1    1   25    4 o  805.673   6.1955  2246.83   34.547  2156.24   47.036  2352.95   50.908  789.173   8.6116  824.372   8.9224 -35.19843 12.40038 
1 1 1    1   25    5 f  904.519   6.7482  2831.95   42.246  2840.03   59.924  2823.97   59.567  905.699   9.5597  903.136   9.5296 2.563538 13.49818 
1 1 1    1   25    6 o  556.332   4.9342  1071.18   18.999  1058.86   26.693  1083.82   27.047  553.095   6.9731  559.576   6.9836 -6.480469 9.868919 
1 1 1    1   25    7 o  866.581   13.376  2600.49   80.223  2600.49   80.223   0.0000   0.0000  866.581   13.376  ?   ?  0.000000 13.37553 
1 1 1    1   25    8 o  1146.97   11.718  4554.61   93.024  4602.44  132.983  4508.78  130.173  1152.71   16.669  1140.93   16.485 11.77747 23.44342 
1 1 1    1   25    9 o  1096.24   16.026  4162.44  121.592  4162.44  121.592   0.0000   0.0000  1096.24   16.026  ?   ?  0.000000 16.02582 
1 1 1    1   25   10 o  507.271   7.4423  890.695   26.129  906.341   37.294  875.610   36.620  511.647   10.532  502.898   10.521 8.748932 14.88641 
1 1 1    1   25   11 o  340.253   4.4563  400.681   10.494  394.909   11.520  428.829   25.439  337.789   4.9276  351.917   10.444 -14.12735 11.54840 
1 1 1    1   25   12 f  510.320   5.0067  901.381   17.684  909.698   20.083  872.683   37.307  512.657   5.6601  501.973   10.738 10.68414 12.13855 
1 1 1    1   25   13 o  210.693   6.3482  153.680   9.2571  165.692   10.592  114.829   19.049  218.764   6.9956  181.313   15.323 37.45096 16.84435 
1 1 1    1   25   14 o  290.984   11.309  293.561   22.775   0.0000   0.0000  293.561   22.775  ?   ?   290.984   11.309 0.000000 11.30864 
1 1 1    1   25   15 o  331.412   5.5568  380.339   12.746  380.339   12.746   0.0000   0.0000  331.412   5.5568  ?   ?  0.000000 5.556825 
1 1 1    1   25   16 o  296.234   5.1231  303.916   10.504  299.787   11.790  319.805   23.129  294.184   5.7904  303.456   11.012 -9.271851 12.44184 
1 1 1    1   25   17 f  199.837   6.1128  138.398   8.4546  134.944   9.5533  150.878   18.159  197.283   6.9966  207.771   12.689 -10.48891 14.48967 
1 1 1    1   25   18 o  254.918   5.6760  225.249   10.014  225.486   11.469  224.488   20.543  254.987   6.4990  253.811   11.694 1.175949 13.37875 
1 1 1    1   25   19 o   83.003   13.741   24.755   7.6177   27.673   8.6099   14.239   16.346   87.658   14.713   69.546   25.687 18.11174 29.60219 
1 1 1    1   25   20 f   81.378   18.169   24.444   9.9742   22.529   12.696   27.532   16.120   78.013   22.361   85.949   25.360 -7.936188 33.81048 
1 1 1    1   27    0 o  790.920   6.1432  2165.33   33.628  2118.16   46.553  2216.81   48.630  782.162   8.5995  800.160   8.7811 -17.99823 12.29064 
1 1 1    1   27    1 o  334.066   6.1538  386.299   14.228   0.0000   0.0000  386.299   14.228  ?   ?   334.066   6.1538 0.000000 6.153770 
1 1 1    1   27    2 o  819.229   7.2382  2323.31   41.041  2284.60   49.604  2407.32   73.071  812.308   8.8230  833.611   12.665 -21.30371 15.43521 
1 1 1    1   27    3 o  589.069   5.1233  1201.02   20.888  1178.82   29.079  1224.67   30.024  583.557   7.1997  594.795   7.2934 -11.23749 10.24833 
1 1 1    1   27    4 o  694.904   6.5459  1671.45   31.483  1648.24   37.811  1723.90   56.847  690.028   7.9172  705.555   11.641 -15.52722 14.07832 
1 1 1    1   27    5 o  296.896   4.7609  305.071   9.7831  318.927   15.998  296.794   12.364  303.540   7.6151  292.832   6.1006 10.70822 9.757419 
1 1 1    1   27    6 o  652.695   7.6365  1474.57   34.497  1474.57   34.497   0.0000   0.0000  652.695   7.6365  ?   ?  0.000000 7.636497 
1 1 1    1   27    7 o  867.169   9.2801  2603.04   55.697  2603.04   55.697   0.0000   0.0000  867.169   9.2801  ?   ?  0.000000 9.280099 
1 1 1    1   27    8 o  1029.03   10.797  3665.79   76.893  3569.27  105.846  3773.66  111.892  1015.20   15.064  1043.84   15.488 -28.64014 21.60555 
1 1 1    1   27    9 o  1383.47   13.760  6628.19  131.755  6687.81  188.067  6570.73  184.641  1389.17   19.561  1376.98   19.374 12.19397 27.53130 
1 1 1    1   27   10 o  447.963   7.3706  694.614   22.852  690.244   32.242  699.024   32.393  446.494   10.433  449.325   10.416 -2.831299 14.74313 
1 1 1    1   27   11 o  595.546   11.121  1228.29   45.838   0.0000   0.0000  1228.29   45.838  ?   ?   595.546   11.121 0.000000 11.12071 
1 1 1    1   27   12 o  1006.27   10.703  3507.24   74.540  3549.27  106.801  3467.32  104.082  1011.82   15.251  1000.09   15.037 11.72412 21.41724 
1 1 1    1   27   13 o  263.583   4.7942  240.487   8.7461  233.145   9.5186  280.293   22.163  259.520   5.2994  284.398   11.260 -24.87781 12.44445 
1 1 1    1   27   14 o  485.660   5.6224  816.661   18.899  816.661   18.899   0.0000   0.0000  485.660   5.6224  ?   ?  0.000000 5.622420 
1 1 1    1   27   15 o  426.737   4.8948  630.545   14.457  634.901   16.372  615.122   30.805  428.176   5.5246  421.047   10.571 7.128845 11.92748 
1 1 1    1   27   16 o  183.704   6.0597  116.921   7.7046  124.843   8.5866   84.195   17.453  189.807   6.5363  154.436   16.588 35.37015 17.82928 
1 1 1    1   27   17 o  335.980   5.1786  391.079   12.042  397.968   13.781  368.829   24.766  338.872   5.8757  325.642   10.989 13.23035 12.46080 
1 1 1    1   27   18 o  262.078   5.5751  238.093   10.113  239.205   11.404  234.000   21.877  262.631   6.2740  258.986   12.205 3.645050 13.72291 
1 1 1    1   27   19 o   62.137   16.486   14.097   7.2068   13.535   8.0303   16.424   16.338   61.238   17.851   72.021   25.814 -10.78294 31.38485 
1 1 1    1   27   20 o   73.122   16.802   19.707   8.3248   19.707   8.3248   0.0000   0.0000   73.122   16.802  ?   ?  0.000000 16.80228 
1 1 1    1   29    0 o  921.484   6.8813  2939.28   43.887  2893.65   61.059  2988.05   63.123  914.183   9.6503  928.967   9.8177 -14.78369 13.76645 
1 1 1    1   29    1 f  632.661   6.1746  1385.42   27.037  1339.66   32.316  1492.19   49.358  622.091   7.5057  656.440   10.864 -34.34875 13.20459 
1 1 1    1   29    2 o  1058.26   8.8741  3877.16   64.997  3727.80  108.676  3960.33   81.101  1037.27   15.138  1069.44   10.957 -32.16663 18.68721 
1 1 1    1   29    3 o  1169.33   8.3219  4733.31   67.349  4700.56   94.561  4767.02   95.947  1165.09   11.727  1173.29   11.815 -8.201294 16.64697 
1 1 1    1   29    4 o  1695.32   11.575  9951.77  135.816  9836.92  189.740 10072.45  194.495  1685.04   16.269  1705.06   16.481 -20.02856 23.15874 
1 1 1    1   29    5 o  1794.65   17.250 11158.35  214.256 11158.35  214.256   0.0000   0.0000  1794.65   17.250  ?   ?  0.000000 17.24952 
1 1 1    1   29    6 o  564.928   5.0337  1104.51   19.682  1083.87   27.412  1126.48   28.276  559.600   7.0775  570.493   7.1614 -10.89240 10.06858 
1 1 1    1   29    7 o  712.727   5.7359  1758.09   28.295  1703.72   38.985  1818.60   41.130  701.584   8.0287  724.849   8.1986 -23.26538 11.47502 
1 1 1    1   29    8 o  740.298   8.3797  1897.00   42.935  1816.58   60.421  1979.02   61.022  724.342   12.052  756.046   11.662 -31.70428 16.77056 
1 1 1    1   29    9 o  1284.99   12.953  5718.17  115.195  5658.54  161.144  5780.49  164.734  1277.82   18.221  1291.50   18.429 -13.67529 25.91605 
1 1 1    1   29   10 o  412.270   7.4252  588.355   21.187  596.585   30.307  580.488   29.631  415.082   10.549  409.445   10.456 5.636169 14.85323 
1 1 1    1   29   11 o  320.561   7.7979  355.750   17.301  344.195   24.899  366.537   24.057  315.238   11.412  325.326   10.684 -10.08771 15.63297 
1 1 1    1   29   12 o  205.130   10.006  145.745   14.206  149.073   20.124  142.439   20.056  206.887   14.139  202.182   14.428 4.705093 20.20037 
1 1 1    1   29   13 o  334.112   4.5176  386.409   10.447  395.390   11.598  347.805   24.047  337.963   4.9584  316.776   10.968 21.18735 12.03672 
1 1 1    1   29   14 o  575.012   5.2752  1144.81   20.994  1153.79   23.747  1112.68   44.920  577.221   5.9441  566.320   11.460 10.90076 12.91027 
1 1 1    1   29   15 o  191.979   5.6253  127.648   7.4743  126.836   8.1571  131.902   18.662  191.351   6.1593  194.238   13.976 -2.887726 15.27257 
1 1 1    1   29   16 f  108.016   9.2968   40.795   6.8825   45.021   7.6480   22.800   15.783  113.446   9.8380   80.630   25.361 32.81635 27.20213 
1 1 1    1   29   17 o  268.171   5.1694  249.172   9.5946  245.526   10.656  264.780   22.050  266.162   5.7848  275.777   11.552 -9.615234 12.91976 
1 1 1    1   29   18 o   70.082   15.466   17.893   7.3006   21.309   8.1264   3.6029   16.622   76.539   15.862   59.125   24.591 17.41395 29.26279 
1 1 1    1   29   19 o  125.859   9.4322   55.485   8.1565   55.485   8.1565   0.0000   0.0000  125.859   9.4322  ?   ?  0.000000 9.432169 
1 1 1    1   29   20 o   38.705   16.086   1.4377   7.1046   2.1102   7.9131  -1.3580   16.134   41.460   17.081   53.476   23.282 -12.01542 28.87560 
1 1 1    1   31    0 o  234.120   4.7768  189.702   7.7402  192.764   10.706  186.348   11.203  235.992   6.5549  232.028   6.9763 3.964005 9.572650 
1 1 1    1   31    1 o  1003.47   8.4999  3485.76   59.033  3386.56   70.282  3723.42  108.785  989.016   10.267  1036.75   15.161 -47.73254 18.31033 
1 1 1    1   31    2 o  963.701   7.1390  3214.60   47.616  3091.87   64.857  3358.09   70.131  945.029   9.9160  984.860   10.289 -39.83051 14.28924 
1 1 1    1   31    3 o  2266.49   15.206 17793.37  238.529 17683.33  334.931 17906.62  339.782  2258.44   21.427  2272.62   21.602 -14.17993 30.42673 
1 1 1    1   31    4 o  1212.76   8.5886  5091.13   72.090  4987.67   99.801  5204.02  104.246  1200.22   12.014  1225.96   12.286 -25.73877 17.18393 
1 1 1    1   31    5 o  1678.74   11.476  9756.83  133.332  9489.60  182.914 10059.79  194.762  1655.25   15.966  1704.20   16.512 -48.95227 22.96912 
1 1 1    1   31    6 o  1813.37   12.335 11385.00  154.811 10945.74  209.488 11913.53  229.789  1777.64   17.027  1854.47   17.903 -76.83069 24.70718 
1 1 1    1   31    7 o  683.630   6.4162  1617.52   30.358  1551.99   36.362  1768.29   55.155  669.615   7.8459  714.680   11.151 -45.06476 13.63433 
1 1 1    1   31    8 o  487.252   4.7703  821.662   16.087  774.586   21.835  877.557   23.792  473.067   6.6687  503.528   6.8270 -30.46103 9.543578 
1 1 1    1   31    9 o  1275.11   12.874  5631.14  113.612  5473.17  155.961  5809.76  165.837  1256.63   17.932  1294.62   18.508 -37.99695 25.77044 
1 1 1    1   31   10 o  561.967   10.915  1093.66   42.455   0.0000   0.0000  1093.66   42.455  ?   ?   561.967   10.915 0.000000 10.91535 
1 1 1    1   31   11 o  673.498   8.4566  1570.57   39.419  1617.07   56.954  1527.81   54.614  683.205   12.045  664.089   11.882 19.11548 16.91936 
1 1 1    1   31   12 o  158.535   12.060   87.611   13.134   71.366   18.413  104.439   18.740  142.054   19.221  172.775   15.848 -30.72108 24.91234 
1 1 1    1   31   13 o  176.256   14.529  108.585   17.566  108.585   17.566   0.0000   0.0000  176.256   14.529  ?   ?  0.000000 14.52920 
1 1 1    1   31   14 o  170.406   5.1222  100.547   6.0411   99.924   6.4194  105.366   17.862  169.872   5.4601  173.422   15.030 -3.550842 15.99082 
1 1 1    1   31   15 o  132.471   7.0374   60.987   6.4291   60.987   6.4291   0.0000   0.0000  132.471   7.0374  ?   ?  0.000000 7.037386 
1 1 1    1   31   16 o  169.928   5.8697  100.057   6.9033  105.007   7.5239   73.707   17.359  174.066   6.2453  144.025   17.792 30.04076 18.85667 
1 1 1    1   31   17 o  381.617   4.9293  504.568   13.019  505.472   14.565  500.976   29.038  381.901   5.5105  379.344   11.060 2.557556 12.35695 
1 1 1    1   31   18 o   58.328   15.389   12.376   6.3026   11.405   6.7286   19.332   18.000   56.338   16.317   77.040   27.150 -20.70177 31.67534 
1 1 1    1   31   19 o   75.560   14.640   20.752   7.3796   18.833   8.0122   31.483   18.948   71.610   16.505   91.832   27.589 -20.22204 32.14884 
1 1 1    1   33    0 o  1316.58   13.048  6002.37  118.893  6002.37  118.893   0.0000   0.0000  1316.58   13.048  ?   ?  0.000000 13.04766 
1 1 1    1   33    1 o  612.381   5.3310  1297.89   22.595  1244.64   30.890  1359.16   33.136  599.657   7.4429  626.635   7.6403 -26.97778 10.66630 
1 1 1    1   33    2 o  741.233   5.9651  1901.57   30.602  1814.23   41.500  2005.67   45.306  723.965   8.2823  761.198   8.5996 -37.23279 11.93939 
1 1 1    1   33    3 o  543.273   7.1256  1021.55   26.793   0.0000   0.0000  1021.55   26.793  ?   ?   543.273   7.1256 0.000000 7.125617 
1 1 1    1   33    4 o  549.865   5.0437  1046.40   19.195  1032.75   26.902  1060.55   27.395  546.245   7.1158  553.547   7.1507 -7.302490 10.08793 
1 1 1    1   33    5 o  870.320   6.6201  2621.60   39.877  2583.27   55.629  2662.11   57.191  863.874   9.3041  876.955   9.4227 -13.08136 13.24212 
1 1 1    1   33    6 o  1132.87   9.4105  4442.58   73.785  4362.81   88.325  4626.83  134.235  1122.57   11.368  1155.75   16.781 -33.17102 20.26937 
1 1 1    1   33    7 o  402.712   4.5738  561.269   12.748  527.986   17.313  600.685   18.841  390.574   6.4047  416.596   6.5345 -26.02115 9.149848 
1 1 1    1   33    8 o  1046.67   10.781  3793.09   78.096  3793.09   78.096   0.0000   0.0000  1046.67   10.781  ?   ?  0.000000 10.78062 
1 1 1    1   33    9 f  751.363   8.5339  1954.44   44.379   0.0000   0.0000  1954.44   44.379  ?   ?   751.363   8.5339 0.000000 8.533884 
1 1 1    1   33   10 o  695.118   8.5351  1672.94   41.062  1637.56   57.317  1710.24   58.856  687.558   12.045  702.648   12.102 -15.08960 17.07463 
1 1 1    1   33   11 o  286.645   8.4297  284.519   16.724  273.122   23.735  295.756   23.568  280.748   12.215  292.167   11.655 -11.41891 16.88329 
1 1 1    1   33   12 o  610.237   8.0999  1289.75   34.210  1263.42   47.735  1317.56   49.053  603.726   11.424  616.521   11.496 -12.79486 16.20691 
1 1 1    1   33   13 o  110.072   15.632   42.946   11.574   41.171   16.891   44.517   15.891  106.488   23.543  111.112   21.441 -4.623848 31.84340 
1 1 1    1   33   14 o  159.296   11.426   88.545   12.514   89.268   18.243   87.902   17.198  159.189   16.812  158.096   15.935 1.092255 23.16368 
1 1 1    1   33   15 o  161.795   14.919   92.000   16.519   0.0000   0.0000   92.000   16.519  ?   ?   161.795   14.919 0.000000 14.91941 
1 1 1    1   33   16 o  183.654   5.3596  116.860   6.8125  121.830   7.3927   88.878   17.542  187.504   5.6966  158.594   16.209 28.90971 17.18094 
1 1 1    1   33   17 o  237.333   5.9360  195.290   9.7505  192.402   10.917  206.683   21.682  235.511   6.6973  242.969   12.940 -7.457077 14.57082 
1 1 1    1   33   18 o  187.648   6.2763  122.177   8.1512  122.177   8.1512   0.0000   0.0000  187.648   6.2763  ?   ?  0.000000 6.276275 
1 1 1    1   35    0 o  780.881   6.1654  2110.43   33.322  2012.61   45.143  2227.53   49.391  762.524   8.5538  802.197   8.8959 -39.67340 12.34115 
1 1 1    1   35    1 o  147.884   6.4631   75.692   6.6151   95.345   9.1836   54.498   9.5366  165.970   7.9948  124.971   11.143 40.99958 13.71407 
1 1 1    1   35    2 o  824.351   7.3689  2352.05   42.043  2262.93   69.769  2402.87   52.682  808.448   12.469  833.169   9.1359 -24.72119 15.45773 
1 1 1    1   35    3 o  1761.43   12.008 10741.88  146.393 10468.72  201.261 11048.78  213.327  1738.51   16.727  1785.98   17.258 -47.46326 24.03370 
1 1 1    1   35    4 o  373.388   5.4636  482.514   14.120  464.000   25.216  490.971   17.042  366.114   9.9513  376.638   6.5375 -10.52460 11.90658 
1 1 1    1   35    5 o  1270.63   8.9733  5588.63   78.913  5358.62  106.731  5865.98  117.202  1244.06   12.396  1301.58   13.010 -57.52722 17.97006 
1 1 1    1   35    6 o  664.754   6.3822  1529.45   29.364  1463.74   34.992  1685.85   53.986  650.293   7.7748  697.805   11.178 -47.51245 13.61609 
1 1 1    1   35    7 o  534.283   5.0408  987.957   18.640  897.086   24.484  1113.24   28.749  509.093   6.9488  567.113   7.3244 -58.01993 10.09622 
1 1 1    1   35    8 o  895.407   6.7986  2775.20   42.132  2604.72   56.003  2997.51   63.953  867.375   9.3289  930.452   9.9310 -63.07690 13.62544 
1 1 1    1   35    9 o  382.398   6.3025  506.162   16.680  506.162   16.680   0.0000   0.0000  382.398   6.3025  ?   ?  0.000000 6.302497 
1 1 1    1   35   10 o  806.723   9.2650  2253.68   51.730  2204.88   71.487  2307.32   74.951  797.682   12.949  815.975   13.272 -18.29248 18.54191 
1 1 1    1   35   11 o  690.222   8.5420  1649.93   40.806  1640.98   57.475  1659.02   57.945  688.080   12.069  691.850   12.101 -3.770752 17.09074 
1 1 1    1   35   12 o  342.253   10.866  406.098   25.740  406.098   25.740   0.0000   0.0000  342.253   10.866  ?   ?  0.000000 10.86639 
1 1 1    1   35   13 o  479.048   7.5394  795.113   24.997  796.097   35.510  794.146   35.195  479.052   10.710  478.473   10.628 0.5785522 15.08838 
1 1 1    1   35   14 o  246.772   11.865  211.561   20.264   0.0000   0.0000  211.561   20.264  ?   ?   246.772   11.865 0.000000 11.86454 
1 1 1    1   35   15 o  145.033   11.880   73.642   11.821   82.146   16.832   65.366   16.604  152.522   16.193  135.473   18.166 17.04842 24.33577 
1 1 1    1   35   16 o   64.440   12.251   14.942   5.2644   15.583   5.5611   9.4098   16.334   65.773   12.676   64.636   25.240 1.137474 28.24423 
1 1 1    1   35   17 o  129.542   6.3483   58.208   5.6917   59.898   5.9844   42.185   18.426  131.232   6.6100  106.401   25.377 24.83042 26.22363 
1 1 1    1   35   18 o  132.259   7.1511   60.935   6.5216   58.914   6.9263   76.732   19.364  129.966   7.7350  145.645   19.717 -15.67824 21.17963 
1 1 1    1   35   19 o   49.014   18.745   6.1167   8.8728   9.2288   10.369  -2.3917   17.145   55.781   20.483   54.378   23.829 1.403797 31.42186 
1 1 1    1   37    0 o  906.218   6.8649  2842.35   43.057  2746.25   58.957  2952.19   63.031  890.703   9.5637  923.488   9.8615 -32.78534 13.73733 
1 1 1    1   37    1 o  606.098   6.2191  1271.41   26.089  1236.74   31.189  1352.19   47.606  597.759   7.5387  624.974   11.006 -27.21509 13.34009 
1 1 1    1   37    2 o  1223.61   8.6937  5182.48   73.625  5039.60  101.104  5343.78  107.425  1206.48   12.108  1242.34   12.494 -35.85767 17.39802 
1 1 1    1   37    3 o  969.148   7.2138  3250.89   48.387  3148.37   66.303  3367.69   70.775  953.667   10.045  986.315   10.368 -32.64716 14.43599 
1 1 1    1   37    4 o  784.546   7.1287  2130.40   38.708  2050.73   64.009  2176.33   48.602  769.611   12.017  792.920   8.8562 -23.30859 14.92784 
1 1 1    1   37    5 o  1294.18   10.504  5798.54   94.085  5661.01  112.579  6117.07  171.331  1278.61   12.722  1328.64   18.632 -50.02905 22.56059 
1 1 1    1   37    6 f  960.238   7.1650  3191.57   47.618  3046.46   64.311  3367.67   70.847  938.057   9.9056  986.251   10.379 -48.19403 14.34736 
1 1 1    1   37    7 o  516.557   5.9124  923.554   21.138  891.914   24.588  1013.17   41.380  507.613   6.9985  540.917   11.053 -33.30371 13.08233 
1 1 1    1   37    8 o  516.612   7.0714  923.865   25.284  923.865   25.284   0.0000   0.0000  516.612   7.0714  ?   ?  0.000000 7.071351 
1 1 1    1   37    9 o  189.298   5.1121  124.029   6.6977  114.625   8.9101  136.245   10.156  181.964   7.0749  198.380   7.3965 -16.41611 10.23533 
1 1 1    1   37   10 o  962.771   10.434  3211.02   69.528  3129.76   95.922  3300.98  100.923  950.041   14.588  975.632   14.946 -25.59186 20.88537 
1 1 1    1   37   11 o  146.834   17.418   75.951   17.356   75.951   17.356   0.0000   0.0000  146.834   17.418  ?   ?  0.000000 17.41778 
1 1 1    1   37   12 o  278.372   7.9738  268.477   15.363  276.683   21.644  260.146   21.809  282.441   11.072  273.846   11.507 8.595093 15.96875 
1 1 1    1   37   13 o  103.874   15.760   38.401   10.974   55.561   16.460   24.668   14.725  124.638   19.739   83.024   24.164 41.61413 31.20127 
1 1 1    1   37   14 o  361.247   7.5324  452.403   18.833  481.415   27.556  426.976   25.798  372.315   10.694  350.640   10.630 21.67487 15.07842 
1 1 1    1   37   15 o  109.645   15.577   42.817   11.488   54.927   16.866   32.337   15.691  123.403   20.465   93.829   24.051 29.57437 31.57902 
1 1 1    1   37   16 o  250.769   8.6007  218.427   14.927  218.732   20.722  218.098   21.522  250.512   11.952  250.075   12.435 0.4368896 17.24696 
1 1 1    1   37   18 o  185.609   5.1394  119.470   6.6022  116.203   6.9587  148.927   20.894  183.027   5.4933  205.160   14.815 -22.13336 15.80028 
1 1 1    1   39    0 o  716.240   5.9005  1775.48   29.250  1702.92   39.957  1859.26   42.935  701.412   8.2307  732.898   8.4643 -31.48529 11.80637 
1 1 1    1   39    1 o  979.268   8.4115  3319.37   57.010  3133.17   93.275  3430.42   72.031  951.192   14.168  995.446   10.455 -44.25476 17.60821 
1 1 1    1   39    2 o  928.480   8.0968  2983.96   52.031  2907.30   62.034  3165.85   95.554  916.427   9.7804  956.117   14.440 -39.68988 17.44033 
1 1 1    1   39    3 o  837.659   6.5149  2428.57   37.770  2330.83   51.395  2543.34   55.694  820.569   9.0497  857.150   9.3880 -36.58087 13.03958 
1 1 1    1   39    4 o  599.533   6.1489  1244.06   25.514  1216.01   31.044  1302.44   44.788  592.712   7.5677  613.346   10.551 -20.63440 12.98404 
1 1 1    1   39    5 o  324.667   5.8373  364.831   13.117  386.537   24.534  356.143   15.521  334.125   10.609  320.767   6.9913 13.35818 12.70568 
1 1 1    1   39    6 o  549.618   5.1937  1045.52   19.757  973.320   26.506  1135.77   29.636  530.268   7.2223  572.806   7.4753 -42.53833 10.39429 
1 1 1    1   39    7 o  463.172   5.5457  742.528   17.778  686.829   27.572  782.160   23.258  445.396   8.9442  475.345   7.0694 -29.94897 11.40068 
1 1 1    1   39    8 o  684.291   6.7005  1620.94   31.734  1583.05   37.469  1717.07   59.684  676.200   8.0062  704.027   12.249 -27.82745 14.63319 
1 1 1    1   39    9 o  714.774   5.8726  1768.55   29.052  1689.04   39.445  1862.81   42.950  698.422   8.1601  733.455   8.4608 -35.03302 11.75468 
1 1 1    1   39   10 o  347.388   4.5355  417.717   10.905  385.184   14.602  458.746   16.398  333.547   6.3252  364.001   6.5088 -30.45432 9.075885 
1 1 1    1   39   11 o  691.197   8.5690  1655.28   40.993  1628.29   57.137  1683.90   58.846  685.140   12.049  696.720   12.204 -11.58008 17.14960 
1 1 1    1   39   12 o  487.716   7.6369  824.191   25.779  810.244   36.202  838.537   36.717  483.265   10.824  491.634   10.791 -8.368866 15.28347 
1 1 1    1   39   13 o  344.485   10.623  411.951   25.327   0.0000   0.0000  411.951   25.327  ?   ?   344.485   10.623 0.000000 10.62254 
1 1 1    1   39   14 o  465.572   7.5671  751.611   24.383  774.146   35.378  731.219   33.653  472.004   10.829  458.771   10.599 13.23340 15.15287 
1 1 1    1   39   15 o  156.994   10.964   86.157   11.838   83.073   17.131   88.976   16.378  153.185   16.414  158.860   15.077 -5.674606 22.28710 
1 1 1    1   39   16 o  118.666   20.210   51.122   16.004   51.122   16.004   0.0000   0.0000  118.666   20.210  ?   ?  0.000000 20.21006 
1 1 1    1   39   17 o   35.981   17.217 -16.4136   12.166 -29.8244   15.897   2.5463   18.902   37.451   18.327   61.389   25.922 -23.93800 31.74627 
1 1 1    1   39   18 o  123.647   23.092   56.927   19.035   0.0000   0.0000   56.927   19.035  ?   ?   123.647   23.092 0.000000 23.09179 
1 1 1    1   41    0 o  560.502   6.1076  1087.34   23.693  1085.85   40.918  1088.09   29.061  560.034   10.556  560.674   7.4889 -0.6403809 12.94309 
1 1 1    1   41    1 o  1081.04   7.8830  4045.21   58.981  3914.48   80.706  4195.07   86.408  1063.30   10.967  1100.73   11.342 -37.43091 15.77691 
1 1 1    1   41    2 o  1420.14   9.9189  6982.16   97.492  6708.45  131.995  7310.73  144.617  1391.76   13.703  1452.83   14.382 -61.07349 19.86511 
1 1 1    1   41    3 o  812.744   6.4140  2286.31   36.079  2166.88   48.496  2434.35   53.994  791.165   8.8564  838.559   9.3032 -47.39398 12.84470 
1 1 1    1   41    4 o  471.977   7.2022  771.081   23.527   0.0000   0.0000  771.081   23.527  ?   ?   471.977   7.2022 0.000000 7.202208 
1 1 1    1   41    5 o  1158.62   8.3494  4647.23   66.953  4494.42   91.422  4823.98   98.327  1139.21   11.595  1180.21   12.038 -40.99426 16.71362 
1 1 1    1   41    6 o  512.768   6.1038  910.098   21.662  897.073   38.924  915.942   26.073  508.954   11.050  514.386   7.3235 -5.432312 13.25659 
1 1 1    1   41    7 o  885.521   6.8058  2714.48   41.711  2543.06   55.371  2939.38   63.422  856.981   9.3354  921.303   9.9464 -64.32129 13.64112 
1 1 1    1   41    8 o  442.985   5.9303  679.292   18.182  706.341   33.883  668.352   21.547  451.560   10.841  439.375   7.0857 12.18436 12.95159 
1 1 1    1   41    9 o  633.451   5.5117  1389.06   24.164  1294.52   32.187  1511.17   36.581  611.422   7.6060  660.586   8.0010 -49.16418 11.03935 
1 1 1    1   41   10 o  199.305   5.0778  137.515   7.0044  150.865   9.1852  118.964   10.827  208.732   6.3581  185.312   8.4420 23.42004 10.56845 
1 1 1    1   41   11 o  427.591   7.6697  633.443   22.698  644.878   32.060  621.951   32.140  431.194   10.743  423.439   10.967 7.754547 15.35164 
1 1 1    1   41   12 f  306.093   11.299  325.268   23.937   0.0000   0.0000  325.268   23.937  ?   ?   306.093   11.299 0.000000 11.29900 
1 1 1    1   41   13 o  317.799   7.6288  350.146   16.780  350.244   23.784  350.049   23.677  317.549   10.822  317.465   10.776 0.8349609E-01 15.27180 
1 1 1    1   41   14 o  162.775   11.042   92.548   12.367  112.390   18.072   75.073   16.959  178.862   14.729  145.472   17.176 33.38945 22.62642 
1 1 1    1   41   15 o  221.314   9.0365  170.176   13.842  184.927   19.721  155.854   19.432  229.968   12.436  210.882   13.383 19.08659 18.26955 
1 1 1    1   41   16 o   56.524   21.220   8.6289   11.245   18.166   15.283  -2.6298   16.606   73.526   25.062   53.844   23.526 19.68176 34.37428 
1 1 1    1   41   17 o  160.870   11.957   91.006   13.218   87.951   18.232   94.390   19.192  156.840   17.071  162.462   17.336 -5.621979 24.33000 
1 1 1    1   41   18 o  130.607   14.577   60.952   12.952   75.073   17.695   44.654   19.010  143.962   18.163  108.135   25.766 35.82726 31.52470 
1 1 1    1   43    0 f  584.839   5.4419  1183.81   22.027  1168.24   30.874  1199.95   31.437  580.939   7.6786  588.771   7.7147 -7.831787 10.88469 
1 1 1    1   43    1 o  769.453   6.2244  2049.25   33.148  1986.77   45.604  2119.23   48.265  757.565   8.6978  782.402   8.9130 -24.83783 12.45361 
1 1 1    1   43    2 o  549.107   5.3213  1043.58   20.223  987.438   27.452  1110.20   29.905  534.097   7.4264  566.320   7.6297 -32.22266 10.64729 
1 1 1    1   43    3 o  424.189   7.0266  622.847   20.629  622.847   20.629   0.0000   0.0000  424.189   7.0266  ?   ?  0.000000 7.026635 
1 1 1    1   43    4 f  255.724   5.5760  226.344   9.8690  232.358   13.599  219.652   14.345  259.079   7.5838  251.889   8.2284 7.190460 11.19018 
1 1 1    1   43    5 o  780.135   6.3055  2106.67   34.046  2036.52   46.595  2187.03   49.868  766.943   8.7780  794.766   9.0657 -27.82263 12.61908 
1 1 1    1   43    6 o  578.580   5.4529  1158.69   21.836  1081.34   29.502  1252.40   32.472  558.876   7.6270  601.453   7.8006 -42.57666 10.90970 
1 1 1    1   43    7 o  828.068   6.5275  2373.77   37.410  2286.94   50.952  2475.33   55.104  812.643   9.0591  845.429   9.4173 -32.78613 13.06727 
1 1 1    1   43    8 o  703.657   6.8622  1714.31   33.419  1658.48   39.128  1864.88   64.256  692.030   8.1693  733.457   12.658 -41.42657 15.06525 
1 1 1    1   43    9 o   88.626   12.269   27.756   7.3236   27.756   7.3236   0.0000   0.0000   88.626   12.269  ?   ?  0.000000 12.26861 
1 1 1    1   43   10 o  163.961   5.6883   93.087   6.4551   91.429   8.2876   95.643   10.293  162.462   7.3705  165.880   8.9987 -3.417892 11.63193 
1 1 1    1   43   11 f  194.942   14.013  132.781   18.781  132.781   18.781   0.0000   0.0000  194.942   14.013  ?   ?  0.000000 14.01339 
1 1 1    1   43   12 f  279.235   8.0661  270.335   15.589  257.756   22.474  282.000   21.641  272.358   11.922  284.968   10.973 -12.61011 16.20300 
1 1 1    1   43   13 o  218.875   9.0215  166.265   13.666  187.122   20.073  148.244   18.659  231.546   12.573  205.925   13.160 25.62088 18.20079 
1 1 1    1   43   14 o  142.088   12.215   70.834   11.895   73.756   17.268   68.195   16.410  143.961   17.704  138.388   17.525 5.572952 24.91141 
1 1 1    1   43   15 o  219.108   8.8639  166.847   13.442  194.049   19.651  142.927   18.428  235.560   12.094  201.839   13.265 33.72121 17.95072 
1 1 1    1   43   16 o  180.336   11.043  113.876   13.717  112.488   18.915  115.415   19.921  178.226   15.488  180.377   16.127 -2.151077 22.36016 
1 1 1    1   43   17 o  139.322   20.018   70.683   18.748   0.0000   0.0000   70.683   18.748  ?   ?   139.322   20.018 0.000000 20.01830 
1 1 1    1   45    0 o  516.706   5.2726  924.069   18.856  903.171   26.130  946.775   27.237  510.790   7.3912  522.972   7.5248 -12.18188 10.54765 
1 1 1    1   45    1 o  476.441   6.0258  785.702   19.870  774.634   33.966  791.461   24.500  472.974   10.376  478.158   7.4031 -5.183624 12.74617 
1 1 1    1   45    2 o  724.855   6.9559  1818.76   34.896  1786.88   42.192  1887.81   62.086  718.422   8.4853  738.262   12.151 -19.84052 14.82046 
1 1 1    1   45    3 o  622.468   5.6195  1341.13   24.210  1296.14   33.093  1392.92   35.511  611.882   7.8144  634.306   8.0888 -22.42340 11.24693 
1 1 1    1   45    4 o  798.786   7.4288  2208.89   41.070  2150.91   48.747  2350.73   76.246  788.166   8.9362  823.680   13.375 -35.51495 16.08521 
1 1 1    1   45    5 o  1031.47   8.7934  3684.03   62.775  3442.93  100.722  3837.17   80.273  996.624   14.602  1052.51   11.020 -55.88867 18.29358 
1 1 1    1   45    6 o  155.802   7.5476   84.046   8.1388   87.636   11.006   79.713   12.091  158.744   10.069  151.233   11.641 7.511612 15.39139 
1 1 1    1   45    7 o  338.695   6.3060  397.151   14.782  374.195   26.633  407.371   17.771  328.584   11.711  342.994   7.4859 -14.41049 13.89925 
1 1 1    1   45    8 f  588.286   5.4256  1198.13   22.091  1144.78   29.797  1263.23   32.917  574.932   7.4883  603.920   7.8753 -28.98883 10.86722 
1 1 1    1   45    9 o  248.235   5.1273  213.342   8.8090  208.147   11.693  220.161   13.396  245.148   6.8913  252.098   7.6778 -6.949890 10.31696 
1 1 1    1   45   10 o  465.229   4.8914  749.393   15.750  716.733   21.312  788.690   23.378  454.869   6.7697  477.134   7.0793 -22.26505 9.795148 
1 1 1    1   45   11 o   72.392   8.9974   18.454   4.4108   15.712   5.4333   23.752   7.5536   66.195   12.313   81.516   13.886 -15.32108 18.55874 
1 1 1    1   45   12 o  371.873   7.5431  479.463   19.414  465.902   26.926  494.146   28.019  366.238   10.623  377.161   10.734 -10.92291 15.10130 
1 1 1    1   45   13 o  264.325   8.2905  242.454   15.167  236.732   21.256  248.390   21.648  260.819   11.775  267.173   11.707 -6.353790 16.60431 
1 1 1    1   45   14 o  185.107   14.745  120.585   18.734  120.585   18.734   0.0000   0.0000  185.107   14.745  ?   ?  0.000000 14.74475 
1 1 1    1   45   15 o  305.051   8.1961  323.336   17.305  317.171   24.095  329.902   24.868  301.529   11.546  307.491   11.685 -5.962494 16.42689 
1 1 1    1   45   16 o   51.240   21.100   3.3511   12.069 -10.9756   16.814   18.576   17.333   48.273   22.148   75.327   26.632 -27.05383 34.63761 
1 1 1    1   45   17 f  106.341   17.916   41.316   12.717   23.093   18.115   59.024   17.858   80.699   27.286  126.463   21.149 -45.76305 34.52280 
1 1 1    1   47    0 o  586.645   5.5315  1191.22   22.459  1182.20   31.390  1200.68   32.148  584.359   7.7614  588.906   7.8872 -4.546814 11.06559 
1 1 1    1   47    1 o  570.507   5.4688  1126.58   21.594  1150.65   30.795  1103.29   30.288  576.510   7.7178  564.519   7.7521 11.99078 10.93888 
1 1 1    1   47    2 o  758.489   7.2309  1991.65   37.959  1970.24   65.337  2002.55   46.638  754.112   12.518  760.489   8.8607 -6.376648 15.33693 
1 1 1    1   47    3 o  290.900   5.4815  292.911   11.036  296.437   15.215  288.996   16.032  292.615   7.5128  288.910   8.0176 3.704987 10.98748 
1 1 1    1   47    4 o  826.906   7.5231  2367.40   43.056  2309.27   72.122  2399.59   53.669  816.316   12.765  832.401   9.3156 -16.08472 15.80304 
1 1 1    1   47    5 o  235.152   5.8292  191.421   9.4872  185.609   13.008  198.026   13.867  231.518   8.1178  239.132   8.3787 -7.613770 11.66626 
1 1 1    1   47    6 o  285.810   5.4320  282.784   10.745  267.669   14.604  300.625   15.867  278.021   7.5895  294.635   7.7808 -16.61368 10.86926 
1 1 1    1   47    7 o  622.316   6.3658  1340.98   27.418  1294.15   44.648  1369.33   34.740  611.039   10.557  628.755   7.9832 -17.71637 13.23598 
1 1 1    1   47    8 o  123.634   8.3609   53.203   7.1123   43.883   9.0019   68.686   11.602  111.854   11.806  140.187   12.076 -28.33271 16.88857 
1 1 1    1   47    9 o  311.080   4.9289  335.056   10.612  327.784   14.297  343.977   15.836  307.617   6.7153  315.098   7.2614 -7.481079 9.890566 
1 1 1    1   47   10 o  223.147   6.8566  172.527   10.590  165.024   12.168  195.951   21.500  218.190   8.0576  237.065   13.155 -18.87532 15.42682 
1 1 1    1   47   11 o  372.134   4.6469  479.557   11.968  467.798   16.199  493.693   17.761  367.434   6.3697  377.433   6.7991 -9.999176 9.316684 
1 1 1    1   47   12 f  261.116   8.2841  236.559   14.971  218.488   20.487  257.268   21.932  250.609   11.812  271.961   11.652 -21.35217 16.59137 
1 1 1    1   47   13 o   60.850   20.934   11.967   10.669   15.820   14.667   7.6390   15.547   70.265   24.524   61.702   24.461 8.562824 34.63778 
1 1 1    1   47   14 o  229.926   8.8841  183.747   14.138  164.049   19.411  206.000   20.632  216.330   13.025  242.657   12.325 -26.32736 17.93241 
1 1 1    1   47   15 o   59.177   21.439   10.538   11.305   11.663   15.418   9.2293   16.626   65.541   24.795   64.390   25.368 1.150833 35.47292 
1 1 1    1   47   16 f   61.023   21.664   11.834   11.481   19.000   16.132   4.4776   16.344   74.712   25.740   59.065   24.460 15.64763 35.50830 
1 1 1    1   49    0 o  156.155   8.2987   84.674   8.9368   78.626   12.082   91.981   13.280  150.188   11.716  162.498   11.891 -12.31010 16.69262 
1 1 1    1   49    1 o  182.110   8.2269  114.836   10.369  109.122   12.551  127.122   18.404  177.194   10.278  190.982   14.022 -13.78845 17.38532 
1 1 1    1   49    2 o  283.852   5.6584  278.909   11.116  270.037   15.422  288.504   16.038  279.260   7.9790  288.650   8.0280 -9.390106 11.31869 
1 1 1    1   49    3 o  156.964   8.1618   85.549   8.8362   82.871   12.206   88.497   12.808  154.217   11.519  159.378   11.692 -5.161804 16.41369 
1 1 1    1   49    4 o  538.827   5.3535  1005.05   19.965  992.851   27.855  1017.93   28.629  535.462   7.5163  542.179   7.6293 -6.716736 10.70986 
1 1 1    1   49    5 o  399.526   6.0338  552.643   16.685  541.853   19.653  580.488   31.572  395.568   7.1785  409.232   11.147 -13.66425 13.25837 
1 1 1    1   49    6 o  246.038   5.7542  209.591   9.7986  219.016   13.310  198.439   14.479  251.460   7.6476  239.323   8.7411 12.13707 11.61433 
1 1 1    1   49    7 o  145.714   8.3204   73.809   8.3564   71.690   10.233   78.049   14.478  143.418   10.379  149.238   14.187 -5.820374 17.57861 
1 1 1    1   49    8 o  444.106   5.0744  682.908   15.597  642.979   21.007  731.967   23.285  430.817   7.0451  459.644   7.3193 -28.82712 10.15900 
1 1 1    1   49    9 o   39.232   15.148   3.4498   5.8324   6.0010   7.1685  -1.5465   10.032   46.445   17.034   42.442   18.418 4.002922 25.08749 
1 1 1    1   49   10 o  213.162   5.3383  157.377   7.8757  147.256   10.192  172.381   12.409  206.123   7.1439  222.970   8.0410 -16.84671 10.75609 
1 1 1    1   49   11 o  276.734   4.7617  265.233   9.1202  248.105   11.987  288.778   14.054  267.557   6.4731  288.616   7.0357 -21.05908 9.560463 
1 1 1    1   49   12 o  243.413   5.8036  205.336   9.7773  192.342   20.289  209.266   11.158  234.633   12.539  245.682   6.5622 -11.04858 14.15270 
1 1 1    1   49   13 o  166.308   11.195   96.761   12.811  120.829   18.825   76.000   17.484  185.238   14.808  146.011   17.661 39.22708 23.04690 
1 1 1    1   49   14 o   76.482   21.401   21.423   11.774   33.424   17.717   11.932   15.756   94.769   26.156   66.343   25.073 28.42593 36.23225 
1 1 1    1   49   15 o   58.977   24.325   4.6663   16.072   0.0000   0.0000   4.6663   16.072  ?   ?    58.977   24.325 0.000000 24.32515 
1 1 1    1   49   16 o  112.438   17.204   45.913   12.962   62.439   19.324   32.395   17.478  129.707   22.332   92.416   26.150 37.29059 34.38776 
1 1 1    1   51    0 o   79.396   17.661   22.756   9.4542   27.476   11.135   10.566   17.896   87.244   18.980   68.620   26.523 18.62357 32.61508 
1 1 1    1   51    1 o  166.045   7.8367   95.482   9.0061   91.875   12.600   99.249   12.878  162.426   11.278  168.865   11.080 -6.439606 15.81010 
1 1 1    1   51    2 o  120.387   10.139   50.575   8.3693   58.888   11.670   41.772   12.009  129.640   13.190  108.457   16.520 21.18307 21.14003 
1 1 1    1   51    3 o  571.474   7.8040  1131.10   30.867   0.0000   0.0000  1131.10   30.867  ?   ?   571.474   7.8040 0.000000 7.804013 
1 1 1    1   51    4 o  639.898   5.7422  1417.70   25.431  1375.56   35.140  1464.04   36.851  630.165   8.0570  650.105   8.1902 -19.94019 11.48887 
1 1 1    1   51    5 o  430.599   6.1900  642.060   18.447  592.195   31.302  668.595   22.834  413.253   10.944  439.339   7.5095 -26.08560 13.27274 
1 1 1    1   51    6 o   67.109   17.410   16.261   8.1558   5.2864   9.6594   43.512   15.222   49.861   19.427  109.904   20.772 -60.04352 28.44063 
1 1 1    1   51    7 o  497.417   5.2133  856.743   17.948  840.307   24.796  874.829   26.011  492.482   7.2748  502.479   7.4794 -9.997406 10.43376 
1 1 1    1   51    8 o  271.602   5.3606  255.467   10.077  233.819   13.277  284.878   15.476  259.754   7.3853  286.692   7.7994 -26.93835 10.74116 
1 1 1    1   51    9 o  436.397   7.2629  660.084   21.936   0.0000   0.0000  660.084   21.936  ?   ?   436.397   7.2629 0.000000 7.262867 
1 1 1    1   51   10 o  252.510   5.1243  220.855   8.9556  197.279   11.506  257.095   14.265  238.559   6.9684  272.293   7.5693 -33.73364 10.28851 
1 1 1    1   51   11 o  189.818   6.4005  124.899   8.4087  119.470   9.2932  149.415   19.748  185.603   7.2344  206.508   13.898 -20.90465 15.66800 
1 1 1    1   51   12 o  164.679   5.5962   93.992   6.3783  105.247   7.8848   72.683   10.849  174.211   6.5394  144.090   10.961 30.12062 12.76381 
1 1 1    1   51   13 o  162.095   12.154   92.211   13.536   61.463   19.747  119.463   18.591  129.561   22.857  184.074   14.716 -54.51297 27.18480 
1 1 1    1   51   14 o  199.232   10.509  138.793   14.439  118.927   21.411  155.366   19.556  182.773   17.125  210.136   13.518 -27.36288 21.81742 
1 1 1    1   51   15 o   78.668   20.908   22.998   11.578   10.902   17.217   32.985   15.645   66.444   25.922   93.600   24.028 -27.15626 35.34532 
1 1 1    1   53    0 o   39.324   16.631   0.2981   7.8001  -2.9415   10.384   4.4929   11.816   41.939   18.457   52.767   21.189 -10.82790 28.10044 
1 1 1    1   53    1 o  248.726   6.0147  214.210   10.354  234.552   14.573  193.470   14.714  260.207   8.0917  236.294   8.9972 23.91322 12.10061 
1 1 1    1   53    2 o   38.352   16.977  -3.0321   8.9116 -10.1610   14.504   1.2910   11.295   45.072   20.639   48.171   20.173 -3.099411 28.86006 
1 1 1    1   53    3 o  437.592   5.2421  662.975   15.876  642.899   22.136  684.242   22.783  430.811   7.4239  444.448   7.4066 -13.63724 10.48677 
1 1 1    1   53    4 o  296.644   6.5277  304.771   13.402  284.537   23.147  314.975   16.438  286.370   11.679  301.513   7.8770 -15.14282 14.08686 
1 1 1    1   53    5 o  269.077   6.7417  250.794   12.555  240.492   14.556  280.732   24.814  263.442   7.9832  284.345   12.609 -20.90253 14.92350 
1 1 1    1   53    6 o  286.431   5.5159  284.118   10.935  275.398   15.056  293.852   15.907  281.905   7.7169  291.187   7.8930 -9.282654 11.03858 
1 1 1    1   53    7 o  169.450   7.0422   99.495   8.2589   97.607   11.067  101.869   12.408  167.467   9.5877  170.998   10.535 -3.530457 14.24496 
1 1 1    1   53    8 o  260.563   6.2150  235.226   11.208  247.756   16.731  225.024   15.096  267.238   9.0457  254.716   8.5632 12.52155 12.45603 
1 1 1    1   53    9 o  357.190   5.5982  442.001   13.840  396.878   20.594  479.164   18.689  338.194   8.7981  371.764   7.2634 -33.56934 11.40898 
1 1 1    1   53   10 o   95.753   12.101   32.416   7.8403   32.416   7.8403   0.0000   0.0000   95.753   12.101  ?   ?  0.000000 12.10073 
1 1 1    1   53   11 o  155.678   6.3865   84.032   6.8813   90.555   8.8699   74.171   10.906  161.523   7.9343  145.589   10.902 15.93402 13.48375 
1 1 1    1   53   12 o  278.611   4.7434  268.959   9.1467  268.581   12.462  269.402   13.467  278.264   6.4710  278.636   6.9830 -0.3716125 9.520275 
1 1 1    1   53   13 o  206.528   10.578  149.073   15.069  160.683   23.227  140.634   19.802  213.168   15.857  199.732   14.422 13.43578 21.43403 
1 1 1    1   53   14 o   65.401   22.468   14.280   12.287   31.517   18.810   1.4532   16.227   91.886   27.462   56.257   23.900 35.62892 36.40587 
1 1 1    1   55    0 f  360.600   5.3281  450.239   13.298  470.430   18.920  430.531   18.693  368.499   7.4185  352.513   7.6617 15.98599 10.66466 
1 1 1    1   55    1 o  264.025   6.6835  241.449   12.213  244.577   14.802  234.781   21.615  265.675   8.0501  260.093   12.008 5.582581 14.45641 
1 1 1    1   55    2 o  178.553   7.2523  110.448   8.9623  121.677   12.432   98.297   12.932  187.086   9.6339  167.950   11.189 19.13612 14.76516 
1 1 1    1   55    3 f  495.984   5.3433  851.831   18.342  825.984   25.389  880.051   26.529  488.252   7.5131  503.971   7.6056 -15.71896 10.69076 
1 1 1    1   55    4 o  122.364   10.087   52.289   8.4665   69.261   11.652   33.309   12.323  140.717   12.081   96.024   19.212 44.69386 22.69534 
1 1 1    1   55    5 o  302.220   6.1300  316.381   12.822  326.528   15.879  297.366   21.736  306.957   7.4744  292.707   10.729 14.24921 13.07624 
1 1 1    1   55    6 o  356.703   5.2224  440.652   12.893  457.876   18.070  422.787   18.402  363.483   7.1827  349.246   7.6130 14.23657 10.46659 
1 1 1    1   55    7 o  143.474   9.6109   71.761   9.4884   71.610   10.873   72.244   19.433  143.152   11.060  142.183   20.326 0.9694824 23.13988 
1 1 1    1   55    8 o  329.583   5.2259  376.271   11.921  360.037   16.181  395.540   17.629  322.250   7.2548  337.739   7.5417 -15.48944 10.46471 
1 1 1    1   55    9 o  289.465   5.2943  290.291   10.607  279.629   14.236  303.595   15.902  283.958   7.2435  295.829   7.7669 -11.87097 10.62035 
1 1 1    1   55   10 o  306.916   6.3130  326.585   13.410  346.780   25.393  318.774   15.792  315.561   11.627  303.104   7.5277 12.45615 13.85084 
1 1 1    1   55   11 o  214.829   5.4851  159.971   8.1556  149.156   10.774  174.482   12.480  207.292   7.5098  224.151   8.0447 -16.85857 11.00522 
1 1 1    1   55   12 o   85.405   9.2760   25.672   5.3948   22.651   6.7348   31.083   9.0123   79.550   12.656   93.107   14.454 -13.55754 19.21195 
1 1 1    1   55   13 o  138.055   17.963   68.585   16.757   0.0000   0.0000   68.585   16.757  ?   ?   138.055   17.963 0.000000 17.96262 
1 1 1    1   55   14 o  100.271   18.649   36.947   12.466   47.322   19.614   29.917   16.146  111.523   25.907   89.103   25.106 22.41980 36.07589 
1 1 1    1   57    0 o  235.570   6.2049  192.219   10.117  181.239   13.922  204.503   14.726  228.635   8.7979  242.868   8.7606 -14.23279 12.41582 
1 1 1    1   57    1 o   68.961   17.328   17.224   8.2602   10.528   11.465   24.450   11.911   59.926   21.608   82.054   20.912 -22.12815 30.07028 
1 1 1    1   57    2 o  276.508   6.6030  264.875   12.636  269.056   15.059  254.927   23.230  278.620   7.8094  270.888   12.390 7.731812 14.64615 
1 1 1    1   57    3 o  242.111   7.3167  203.139   12.260  197.317   21.314  206.018   14.989  237.903   12.994  243.738   8.8850 -5.835617 15.74101 
1 1 1    1   57    4 o  157.827   9.1393   86.691   9.9405   92.390   12.241   75.659   17.033  162.757   10.931  146.279   17.150 16.47745 20.33698 
1 1 1    1   57    5 o  276.488   6.6747  264.905   12.773  292.049   23.328  253.285   15.264  289.907   11.626  270.265   8.1602 19.64246 14.20436 
1 1 1    1   57    6 f  287.298   5.5240  285.926   10.984  279.511   15.216  292.907   15.872  283.917   7.7435  290.630   7.8909 -6.713135 11.05564 
1 1 1    1   57    7 o  136.416   8.8479   64.855   8.3087   72.047   11.341   56.523   12.207  143.481   11.518  126.558   14.180 16.92329 18.26816 
1 1 1    1   57    8 o  358.985   5.2110  446.468   12.947  470.231   18.144  421.814   18.481  368.235   7.1191  348.705   7.6575 19.53015 10.45554 
1 1 1    1   57    9 o  238.333   5.7249  196.873   9.4434  197.147   12.650  196.528   14.193  238.353   7.6681  237.892   8.6201 0.4611053 11.53715 
1 1 1    1   57   10 o  342.783   5.7423  407.338   13.623  411.223   17.055  400.488   22.644  344.245   7.1583  339.342   9.6414 4.902588 12.00823 
1 1 1    1   57   11 o  100.921   9.4765   35.749   6.5417   38.019   8.3800   32.207   10.467  103.704   11.890   94.342   16.638 9.361725 20.44992 
1 1 1    1   57   12 o  104.258   10.428   38.279   7.4237   38.171   8.2435   38.741   17.076  103.884   11.667  101.686   24.543 2.197990 27.17474 
1 1 1    1   57   13 o  100.083   6.8563   34.966   4.7206   39.497   6.2481   28.939   7.2059  106.157   8.5773   90.159   11.834 15.99796 14.61526 
1 1 1    1   59    0 o  148.889   12.451   77.596   12.713   0.0000   0.0000   77.596   12.713  ?   ?   148.889   12.451 0.000000 12.45094 
1 1 1    1   59    1 o  142.239   8.9438   70.456   8.7599   64.320   12.052   77.327   12.754  135.376   13.024  148.617   12.516 -13.24098 18.06314 
1 1 1    1   59    2 o  268.694   5.8792  250.104   10.933  242.603   15.031  258.532   15.933  264.502   8.2106  273.032   8.4314 -8.530151 11.76869 
1 1 1    1   59    3 o  293.320   6.5055  298.135   13.207  301.699   15.927  290.293   23.629  294.981   7.8013  288.991   11.814 5.989960 14.15692 
1 1 1    1   59    4 o  200.915   6.6848  139.901   9.2955  138.002   12.850  141.986   13.463  199.405   9.3111  202.244   9.6180 -2.838562 13.38661 
1 1 1    1   59    5 o  238.190   6.0034  196.589   9.8969  198.309   13.967  194.855   14.026  239.078   8.4410  236.979   8.5514 2.098877 12.01570 
1 1 1    1   59    6 o  293.982   6.3502  299.555   12.921  287.756   20.881  306.876   16.448  287.741   10.485  297.416   7.9904 -9.674469 13.18262 
1 1 1    1   59    7 o  131.904   8.9928   60.698   8.1608   64.012   11.222   56.979   11.889  135.040   12.137  127.075   13.736 7.965111 18.32972 
1 1 1    1   59    8 o  153.494   9.1486   82.149   9.6749   87.951   11.132   64.244   19.557  158.702   10.189  133.068   22.004 25.63362 24.24889 
1 1 1    1   59    9 o  229.883   6.5110  183.299   10.359  169.319   12.402  215.561   18.840  220.803   8.1157  248.774   10.942 -27.97151 13.62340 
1 1 1    1   59   10 o   48.211   17.455   6.8421   7.4929   10.720   8.7738  -3.6083   14.403   56.644   18.990   49.169   21.683 7.474922 28.82374 
1 1 1    1   59   11 o  228.060   7.2532  180.658   11.449  168.488   23.870  184.294   13.047  218.158   15.919  230.227   8.1883 -12.06819 17.90136 
1 1 1    1   59   12 o   53.926   15.008   10.555   5.8071   12.755   7.4312   7.1049   9.3067   59.314   17.138   51.271   19.294 8.042786 25.80638 
1 1 1    1   61    0 o   34.569   15.519  -3.6420   7.7218  -9.6791   11.166   1.8906   10.690   38.098   17.682   47.454   19.727 -9.356327 26.49157 
1 1 1    1   61    1 o  128.815   9.7316   57.939   8.6121   61.728   12.283   54.277   12.078  132.443   13.593  123.979   14.340 8.464401 19.75886 
1 1 1    1   61    2 o  253.934   6.0319  223.440   10.601  243.976   15.010  203.002   14.974  265.201   8.1778  241.851   8.9459 23.34998 12.12043 
1 1 1    1   61    3 o   50.808   19.076   6.7456   9.0872   19.602   10.891 -22.7122   16.486   73.623   20.576   41.788   20.008 31.83520 28.70049 
1 1 1    1   61    4 o  400.198   5.2539  554.847   14.552  574.692   20.687  535.407   20.475  407.080   7.3425  392.899   7.5294 14.18167 10.51688 
1 1 1    1   61    5 f   83.583   15.624   25.198   8.7062   38.483   13.892   16.605   11.172  102.851   20.236   68.694   21.294 34.15662 29.37589 
1 1 1    1   61    6 o   78.677   15.186   22.364   7.9697   25.521   11.276   19.213   11.266   83.490   19.812   72.967   21.107 10.52293 28.94862 
1 1 1    1   61    7 o   57.305   17.697   11.528   7.7249   6.4373   10.576   17.350   11.310   52.683   20.383   69.861   21.387 -17.17839 29.54388 
1 1 1    1   61    8 o  153.677   7.9431   82.231   8.4195   77.092   11.344   88.536   12.563  148.335   11.131  158.960   11.497 -10.62492 16.00214 
1 1 1    1   61    9 o  121.854   9.6610   52.001   8.0810   73.666   10.668   22.829   12.379  144.998   10.706   78.850   21.901 66.14790 24.37774 
1 1 1    1   61   10 o  115.364   9.5869   46.669   7.5853   47.831   10.080   45.152   11.517  116.229   12.740  112.342   15.203 3.887100 19.83497 
1 1 1    1   61   11 o   53.900   16.591   10.299   6.7958   9.4976   9.0716   11.323   10.259   54.701   19.274   58.965   20.515 -4.264534 28.14870 
1 1 1    1   63    0 f  174.516   7.5543  105.644   9.1245  126.521   13.025   85.523   12.786  190.566   9.9094  156.301   11.910 34.26524 15.49300 
1 1 1    1   63    1 o  150.536   9.8491   79.071   10.205  103.854   18.087   67.496   12.360  171.722   15.381  138.566   13.042 33.15544 20.16582 
1 1 1    1   63    2 o  138.068   10.124   66.607   9.6066   63.613   11.870   72.293   16.356  134.498   12.910  142.710   16.886 -8.212585 21.25595 
1 1 1    1   63    3 o  189.462   6.9880  124.489   9.1633  132.523   13.018  116.597   12.901  195.291   9.6311  182.850   10.235 12.44054 14.05402 
1 1 1    1   63    4 o  145.649   9.8553   74.076   9.8762   67.299   11.825   89.707   17.958  138.402   12.479  159.169   16.543 -20.76671 20.72202 
1 1 1    1   63    5 o  222.422   6.5083  171.559   10.019  167.815   14.524  174.959   13.839  219.716   9.5508  224.409   8.9101 -4.693542 13.06164 
1 1 1    1   63    6 o  117.057   10.500   48.073   8.4163   72.413   12.223   26.128   11.606  143.540   12.426   84.335   20.158 59.20519 23.68003 
1 1 1    1   63    7 o  179.071   8.7555  111.463   10.851  123.122   20.791  107.099   12.722  186.514   16.269  175.042   10.550 11.47137 19.39027 
1 1 1    1   63    8 o  132.722   10.010   61.693   9.1276   56.789   11.284   70.976   15.525  126.763   13.048  141.155   16.184 -14.39174 20.78826 
1 1 1    1   63    9 f  130.148   10.650   59.481   9.5092   54.831   11.063   72.634   18.607  124.460   13.037  141.736   19.483 -17.27595 23.44232 
1 1 1    1   63   10 o  114.258   10.489   45.963   8.2023   47.971   11.585   43.946   11.614  115.802   14.793  110.552   15.614 5.249214 21.50857 
1 1 1    1   65    0 o  199.000   7.1185  137.381   9.8044  163.018   14.004  112.731   13.731  216.582   9.3420  179.612   11.100 36.97015 14.50822 
1 1 1    1   65    1 f  179.190   10.472  112.089   12.931  112.089   12.931   0.0000   0.0000  179.190   10.472  ?   ?  0.000000 10.47220 
1 1 1    1   65    2 o  131.397   11.147   60.543   10.042   86.293   18.340   49.518   12.000  155.834   17.296  118.037   15.030 37.79684 22.91389 
1 1 1    1   65    3 o  210.445   6.5897  153.603   9.5981  156.538   13.603  150.694   13.545  212.213   9.2616  208.200   9.3995 4.012894 13.19578 
1 1 1    1   65    4 o   96.963   13.622   33.486   8.8895   21.327   14.465   40.865   11.268   77.454   24.266  106.864   15.704 -29.40935 28.90395 
1 1 1    1   65    5 o  142.522   8.9102   70.886   8.7450   92.719   12.526   50.129   12.214  162.722   11.191  118.634   15.227 44.08770 18.89688 
1 1 1    1   65    6 o  280.927   5.7943  273.675   11.266  305.924   16.606  246.176   15.335  296.726   8.0861  266.146   8.3249 30.58023 11.60555 
1 1 1    1   65    7 o  196.399   7.8000  134.031   10.603  132.304   13.238  137.122   17.708  194.646   9.8584  197.514   13.027 -2.867554 16.33677 
1 1 1    1   65    8 o  104.539   11.400   38.627   8.1144   33.619   11.110   44.353   11.880   96.102   17.341  111.100   15.903 -14.99857 23.52939 
1 1 1    1   65    9 o   24.987   12.287 -15.2899   7.4228 -16.5526   9.8974 -13.6668   11.222   30.653   14.879   35.350   16.809 -4.696745 22.44873 
1 1 1    1   67    0 o  199.983   8.3789  138.952   11.597  183.854   20.094  116.523   14.201  229.099   12.723  182.494   11.299 46.60474 17.01567 
1 1 1    1   67    1 o  171.153   7.9915  101.743   9.4665  113.013   13.586   91.109   13.197  179.767   10.972  161.174   11.915 18.59271 16.19786 
1 1 1    1   67    2 o   96.802   12.932   33.307   8.4478   22.526   11.919   44.189   11.975   78.362   21.381  111.078   16.042 -32.71597 26.72998 
1 1 1    1   67    4 o  210.607   6.7651  153.939   9.8612  161.184   14.252  147.284   13.658  215.196   9.5690  205.705   9.5935 9.490982 13.54995 
1 1 1    1   67    5 o  108.904   13.427   42.143   9.9065   53.308   12.322   21.732   16.660  122.354   14.855   78.918   26.161 43.43597 30.08415 
1 1 1    1   67    6 o  101.059   12.166   36.220   8.3386   43.118   11.740   29.196   11.846  109.534   15.954   88.940   19.758 20.59393 25.39500 
1 1 1    1   69    0 o  207.111   10.157  149.461   14.560  149.461   14.560   0.0000   0.0000  207.111   10.157  ?   ?  0.000000 10.15706 
1 1 1    1   69    1 o  111.626   11.768   43.989   8.9545   45.605   12.675   42.378   12.653  112.579   16.779  108.270   17.480 4.309601 24.23021 
1 1 1    1   69    2 o  157.029   8.6038   86.018   9.3152   87.147   13.313   84.934   13.039  157.408   12.318  155.404   12.221 2.003815 17.35213 
1 1 1    1   69    3 o   97.255   15.620   34.089   10.158   33.615   18.360   34.299   12.195   94.785   26.795   96.776   18.885 -1.990509 32.78142 
1 1 1    1   69    4 o  112.548   11.249   44.678   8.6450   53.951   12.024   34.755   12.438  123.114   14.382   97.308   19.151 25.80605 23.94995 
1 1 1    1   69    5 o   40.776   16.877   1.7473   7.7742  -0.2776   11.281   3.5784   10.728   45.917   19.727   49.045   20.009 -3.127838 28.09859 
1 1 1    1   71    0 o   51.762   18.533   8.2134   8.4190  -0.8861   11.985   17.079   11.830   46.721   20.203   69.263   21.976 -22.54173 29.85147 
1 1 1    1   71    1 o  165.526   8.2440   95.336   9.4445  101.199   13.451   89.634   13.264  169.722   11.519  159.557   12.101 10.16507 16.70720 
1 1 1    1   71    2 o  138.974   9.3912   67.624   8.9800   87.156   13.046   50.035   12.380  157.308   12.074  118.123   15.518 39.18494 19.66208 
1 1 1    2    0    1 o  1358.37   18.715  6390.24  175.878  6390.24  175.878  6390.24  175.878  1358.37   18.715  1358.37   18.715 0.000000 0.000000 
1 1 1    2    0    2 o  265.260   4.8752  243.746   8.9436  243.746   8.9436  243.746   8.9436  265.260   4.8752  265.260   4.8752 0.000000 0.000000 
1 1 1    2    0    3 o  811.536   8.5931  2279.97   48.253  2279.97   48.253  2279.97   48.253  811.536   8.5931  811.536   8.5931 0.000000 0.000000 
1 1 1    2    0    4 o  3242.14   30.373 36409.19  681.418 36409.19  681.418 36409.19  681.418  3242.14   30.373  3242.14   30.373 0.000000 0.000000 
1 1 1    2    0    5 o  1128.57   15.988  4411.22  124.828  4411.22  124.828  4411.22  124.828  1128.57   15.988  1128.57   15.988 0.000000 0.000000 
1 1 1    2    0    6 f  1588.96   15.350  8742.14  168.779  8742.14  168.779  8742.14  168.779  1588.96   15.350  1588.96   15.350 0.000000 0.000000 
1 1 1    2    0    7 o  278.326   8.0198  268.780   15.420  268.780   15.420  268.780   15.420  278.326   8.0198  278.326   8.0198 0.000000 0.000000 
1 1 1    2    0    8 o  983.891   14.372  3355.12   97.818  3355.12   97.818  3355.12   97.818  983.891   14.372  983.891   14.372 0.000000 0.000000 
1 1 1    2    0    9 o  571.484   7.1097  1130.95   28.111  1130.95   28.111  1130.95   28.111  571.484   7.1097  571.484   7.1097 0.000000 0.000000 
1 1 1    2    0   10 o  233.605   6.4691  189.306   10.441  189.306   10.441  189.306   10.441  233.605   6.4691  233.605   6.4691 0.000000 0.000000 
1 1 1    2    0   11 o  230.431   6.7790  184.250   10.790  184.250   10.790  184.250   10.790  230.431   6.7790  230.431   6.7790 0.000000 0.000000 
1 1 1    2    0   12 o  482.496   6.8513  806.237   22.869  806.237   22.869  806.237   22.869  482.496   6.8513  482.496   6.8513 0.000000 0.000000 
1 1 1    2    0   13 o  620.370   7.7099  1332.82   33.092  1332.82   33.092  1332.82   33.092  620.370   7.7099  620.370   7.7099 0.000000 0.000000 
1 1 1    2    0   14 o  393.260   9.9265  536.585   26.979  536.585   26.979  536.585   26.979  393.260   9.9265  393.260   9.9265 0.000000 0.000000 
1 1 1    2    0   15 o  195.768   8.8452  133.553   11.929  133.553   11.929  133.553   11.929  195.768   8.8452  195.768   8.8452 0.000000 0.000000 
1 1 1    2    0   16 o  529.730   7.4017  972.742   27.125  972.742   27.125  972.742   27.125  529.730   7.4017  529.730   7.4017 0.000000 0.000000 
1 1 1    2    0   17 o   33.531   20.782   2.8495   9.6045   2.8495   9.6045   2.8495   9.6045   33.531   20.782   33.531   20.782 0.000000 0.000000 
1 1 1    2    0   18 o  113.825   13.815   47.235   10.457   47.235   10.457   47.235   10.457  113.825   13.815  113.825   13.815 0.000000 0.000000 
1 1 1    2    0   19 o   62.078   24.635   19.076   10.210   19.076   10.210   19.076   10.210   62.078   24.635   62.078   24.635 0.000000 0.000000 
1 1 1    2    0   20 o  329.325   10.547  382.244   23.984  382.244   23.984  382.244   23.984  329.325   10.547  329.325   10.547 0.000000 0.000000 
1 1 1    2    0   21 o   96.559   17.484   36.985   10.548   36.985   10.548   36.985   10.548   96.559   17.484   96.559   17.484 0.000000 0.000000 
1 1 1    2    0   22 o   81.297   21.609   29.937   10.505   29.937   10.505   29.937   10.505   81.297   21.609   81.297   21.609 0.000000 0.000000 
1 1 1    2    2    1 o  1108.79   9.0204  4254.87   69.223  4299.02   85.651  4171.71  117.543  1114.50   11.104  1097.80   15.470 16.70093 19.04269 
1 1 1    2    2    2 o  1054.22   10.589  3846.51   77.259  3846.51   77.259   0.0000   0.0000  1054.22   10.589  ?   ?  0.000000 10.58862 
1 1 1    2    2    3 o  2946.76   19.532 30063.88  398.355 29971.00  561.377 30158.08  565.363  2941.50   27.575  2950.66   27.684 -9.154785 39.07390 
1 1 1    2    2    4 o  159.528   4.1796   88.070   4.6148   88.159   5.7023   87.902   7.8559  159.607   5.1621  159.372   7.1220 0.2348175 8.796056 
1 1 1    2    2    5 o  724.739   5.6424  1817.74   28.303  1830.92   40.271  1804.88   39.785  727.343   7.9998  722.153   7.9599 5.190125 11.28529 
1 1 1    2    2    6 o  1060.76   7.5953  3894.32   55.762  3911.81   79.207  3877.14   78.516  1063.07   10.765  1058.35   10.719 4.720093 15.19167 
1 1 1    2    2    7 o  446.450   6.1840  689.856   19.108  670.244   26.463  711.219   27.620  440.026   8.6893  453.275   8.8040 -13.24924 12.36993 
1 1 1    2    2    8 o  816.620   6.2307  2308.36   35.216  2295.43   49.576  2321.54   50.031  814.220   8.7974  818.836   8.8281 -4.616272 12.46319 
1 1 1    2    2    9 o  1037.71   7.5140  3727.69   53.966  3743.17   76.648  3712.48   75.996  1039.68   10.652  1035.42   10.605 4.268188 15.03063 
1 1 1    2    2   10 o  794.789   6.1608  2186.35   33.889  2215.97   48.479  2158.05   47.393  800.088   8.7547  789.565   8.6726 10.52295 12.32309 
1 1 1    2    2   11 o  434.757   4.6243  654.142   13.915  651.048   19.654  657.251   19.703  433.711   6.5474  435.772   6.5327 -2.061249 9.249049 
1 1 1    2    2   12 o  501.239   5.6726  869.540   19.679  858.537   34.107  875.031   24.094  497.996   9.8957  502.804   6.9236 -4.807983 12.07726 
1 1 1    2    2   13 o  284.681   4.9381  280.490   9.7296  264.460   13.603  297.284   13.922  276.408   7.1104  293.063   6.8640 -16.65436 9.882902 
1 1 1    2    2   14 o  320.017   5.0261  354.460   11.132  366.010   15.901  343.358   15.590  325.161   7.0655  314.938   7.1524 10.22388 10.05382 
1 1 1    2    2   15 o  607.187   5.4799  1276.20   23.029  1278.94   32.582  1273.46   32.553  607.751   7.7461  606.447   7.7558 1.303894 10.96146 
1 1 1    2    2   16 o  536.684   5.2277  997.174   19.418  998.258   27.508  996.096   27.416  536.861   7.4031  536.280   7.3863 0.5805664 10.45772 
1 1 1    2    2   17 o  256.033   5.4561  227.012   9.6684  241.192   13.681  212.866   13.665  263.826   7.4927  247.828   7.9667 15.99767 10.93657 
1 1 1    2    2   18 o   71.246   16.684   18.435   8.0822   23.556   14.493   16.123   9.7368   81.118   24.074   67.216   19.674 13.90175 31.09083 
1 1 1    2    2   19 o   60.219   19.963   12.178   9.7009   25.068   13.545  -1.3971   13.900   82.846   22.871   50.281   21.750 32.56482 31.56222 
1 1 1    2    2   20 o  173.763   7.9366  104.886   9.5449  108.488   16.565  103.096   11.679  175.537   13.744  171.818   9.8620 3.718369 16.91644 
1 1 1    2    2   21 o   67.255   15.978   16.595   7.3272   24.494   10.500   9.0987   10.229   81.405   18.986   55.584   20.354 25.82182 27.83401 
1 1 1    2    2   22 o   86.381   12.593   26.786   7.3071   27.309   10.538   26.301   10.141   85.771   18.309   84.230   17.945 1.541374 25.63665 
1 1 1    2    4    0 f  667.051   10.472  1540.00   48.348  1540.00   48.348   0.0000   0.0000  667.051   10.472  ?   ?  0.000000 10.47224 
1 1 1    2    4    1 o  1149.45   16.149  4573.66  128.470   0.0000   0.0000  4573.66  128.470  ?   ?   1149.45   16.149 0.000000 16.14853 
1 1 1    2    4    2 o  1434.78   11.364  7125.04  112.851  7124.15  138.124  7126.83  195.718  1434.64   13.911  1434.74   19.710 -0.1014404 24.12427 
1 1 1    2    4    3 o  3371.29   22.304 39356.30  520.432 39163.28  731.810 39553.80  740.268  3361.96   31.451  3378.65   31.657 -16.69312 44.62401 
1 1 1    2    4    4 o  269.830   3.6494  251.962   6.8153  251.779   9.6556  252.143   9.6211  269.729   5.1722  269.924   5.1500 -0.1951599 7.298865 
1 1 1    2    4    5 o  2034.89   13.672 14333.83  192.558 14353.30  272.714 14314.48  271.924  2035.96   19.354  2033.21   19.324 2.753540 27.34887 
1 1 1    2    4    6 f  1157.21   9.4503  4635.13   75.690  4642.49   92.784  4620.49  130.866  1158.08   11.576  1155.16   16.369 2.920654 20.04824 
1 1 1    2    4    7 o  367.756   4.1513  468.057   10.566  476.012   15.010  460.243   14.877  370.855   5.8480  364.660   5.8945 6.194885 8.303212 
1 1 1    2    4    8 o  909.518   6.7552  2863.57   42.524  2885.04   60.569  2842.71   59.715  912.772   9.5875  906.054   9.5226 6.718201 13.51297 
1 1 1    2    4    9 o  735.227   6.7242  1871.12   34.217  1891.67   42.205  1831.71   58.448  739.205   8.2494  727.256   11.612 11.94897 14.24393 
1 1 1    2    4   10 o  1073.72   8.9332  3990.93   66.386  4020.11   81.925  3935.12  113.289  1077.54   10.985  1065.83   15.358 11.70923 18.88191 
1 1 1    2    4   11 o  724.284   5.8179  1815.59   29.164  1826.56   41.473  1804.85   41.020  726.428   8.2489  722.097   8.2078 4.330872 11.63664 
1 1 1    2    4   12 o  2024.31   13.665 14190.85  191.459 14323.60  273.533 14063.35  268.078  2033.02   19.440  2014.50   19.227 18.52222 27.34209 
1 1 1    2    4   13 o  806.852   6.3294  2253.32   35.345  2271.75   50.394  2235.47   49.587  810.062   8.9884  803.569   8.9160 6.492737 12.66043 
1 1 1    2    4   14 o  725.916   5.9683  1824.01   29.986  1847.41   42.874  1801.60   41.953  730.467   8.4804  721.356   8.4031 9.110718 11.93857 
1 1 1    2    4   15 o  343.369   5.0556  408.110   12.015  390.579   16.661  427.104   17.342  335.870   7.1671  351.225   7.1341 -15.35471 10.11250 
1 1 1    2    4   16 o  559.090   6.0974  1082.35   23.594  1088.82   29.031  1069.76   40.495  560.675   7.4812  555.503   10.533 5.172485 12.91915 
1 1 1    2    4   17 o  223.044   5.7767  172.298   8.9176  179.498   12.706  165.308   12.519  227.570   8.0671  218.381   8.2826 9.189499 11.56201 
1 1 1    2    4   18 o   98.883   10.831   34.373   7.2912   37.843   10.510   31.153   10.123  103.094   15.184   93.138   16.298 9.956055 22.27529 
1 1 1    2    4   19 o   96.388   11.107   32.753   7.2739   38.634   10.285   26.869   10.289  104.155   14.674   85.942   17.879 18.21368 23.13041 
1 1 1    2    4   20 o  209.742   6.2286  152.598   9.0418  145.725   12.722  159.613   12.853  204.704   8.9794  214.273   8.6670 -9.568787 12.47982 
1 1 1    2    4   21 o  172.108   8.1356  103.050   9.6910  105.120   11.976   99.122   16.496  173.309   10.027  167.274   14.388 6.035004 17.53743 
1 1 1    2    4   22 o   77.501   16.494   22.165   8.5757   27.704   10.291   9.5805   15.513   86.524   17.780   62.531   24.546 23.99371 30.30895 
1 1 1    2    6    0 o  2069.81   13.867 14828.89  198.658 14852.77  281.453 14805.18  280.440  2071.25   19.633  2067.93   19.594 3.318604 27.73818 
1 1 1    2    6    1 o  355.724   5.3960  437.915   13.285  423.220   18.472  453.659   19.120  349.699   7.6322  362.056   7.6302 -12.35730 10.79219 
1 1 1    2    6    2 o  782.897   6.8338  2121.20   37.029  2121.79   45.288  2120.00   64.315  782.996   8.3570  782.630   11.874 0.3652954 14.51963 
1 1 1    2    6    3 o  513.351   6.3583  912.010   22.591  912.010   22.591   0.0000   0.0000  513.351   6.3583  ?   ?  0.000000 6.358308 
1 1 1    2    6    4 o  1052.56   7.5151  3834.23   54.747  3839.88   77.533  3828.60   77.315  1053.30   10.636  1051.75   10.621 1.547974 15.03088 
1 1 1    2    6    5 o  653.255   5.2634  1476.84   23.797  1506.61   34.190  1448.86   33.143  659.791   7.4871  647.023   7.4011 12.76837 10.52769 
1 1 1    2    6    6 o  1826.77   14.257 11553.85  180.255 11390.24  306.935 11639.99  222.706  1812.93   24.462  1833.33   17.551 -20.40869 30.10712 
1 1 1    2    6    7 o  883.218   7.6141  2700.22   46.544  2745.85   82.299  2678.76   56.437  890.402   13.355  879.644   9.2700 10.75751 16.25657 
1 1 1    2    6    8 o  851.636   7.4040  2510.87   43.641  2505.07   53.470  2522.44   75.530  850.568   9.0829  853.266   12.790 -2.696960 15.68675 
1 1 1    2    6    9 o  639.443   5.3392  1415.20   23.630  1445.30   33.955  1386.93   32.904  646.156   7.5926  632.976   7.5108 13.18060 10.67989 
1 1 1    2    6   10 o  992.425   8.3973  3409.32   57.679  3443.66   71.223  3343.90   98.316  997.336   10.318  982.577   14.457 14.75897 17.76158 
1 1 1    2    6   11 o  1089.48   7.8528  4108.45   59.214  4116.48   83.908  4100.49   83.574  1090.43   11.118  1088.31   11.095 2.118530 15.70735 
1 1 1    2    6   12 o  1563.35   12.413  8462.82  134.314  8536.58  234.531  8426.82  163.844  1569.20   21.595  1559.79   15.177 9.414795 26.39444 
1 1 1    2    6   13 o  640.035   5.5165  1417.83   24.437  1439.63   35.066  1397.24   34.073  644.885   7.8564  635.322   7.7490 9.562073 11.03491 
1 1 1    2    6   14 o  139.066   7.8205   67.166   7.4966   68.484   10.618   65.856   10.586  140.183   11.033  137.433   11.227 2.749619 15.74082 
1 1 1    2    6   15 o  191.423   6.2299  126.855   8.2537  120.693   11.576  133.228   11.772  186.678   8.9593  196.137   8.6719 -9.459259 12.46879 
1 1 1    2    6   16 o  343.444   5.8132  408.412   13.818  410.661   16.771  403.659   24.384  344.344   7.0370  341.236   10.324 3.107544 12.49457 
1 1 1    2    6   17 o  321.062   5.0775  356.944   11.283  362.185   16.100  351.886   15.816  323.307   7.1951  318.678   7.1709 4.628448 10.15837 
1 1 1    2    6   18 o  165.214   9.6845   95.086   11.026   90.488   15.097  100.341   16.140  160.611   13.713  169.159   13.909 -8.547745 19.53205 
1 1 1    2    6   19 o   57.496   16.539   11.847   6.9344   17.192   9.9352   6.7692   9.6831   69.030   19.779   51.731   19.630 17.29892 27.86675 
1 1 1    2    6   20 o  132.595   8.3728   61.345   7.6443   67.314   10.888   55.544   10.735  138.444   11.467  125.478   12.528 12.96657 16.98362 
1 1 1    2    6   21 o  175.102   9.7376  107.242   11.754  107.659   16.653  106.829   16.594  174.490   13.904  173.811   13.911 0.6792297 19.66846 
1 1 1    2    6   22 o  142.682   9.4501   71.452   9.2793   62.026   11.068   93.756   17.025  132.249   12.230  161.811   15.388 -29.56201 19.65591 
1 1 1    2    8    1 o  472.408   4.2850  772.310   14.010  744.873   19.359  802.487   20.302  463.936   6.0289  481.543   6.0915 -17.60779 8.570530 
1 1 1    2    8    2 o  1101.89   11.028  4202.34   84.101  4141.46  117.473  4266.34  120.455  1093.80   15.518  1110.16   15.677 -16.36475 22.05816 
1 1 1    2    8    3 o  408.929   5.8920  578.714   16.676  531.707   22.579  635.122   24.734  391.961   8.3231  428.385   8.3423 -36.42468 11.78422 
1 1 1    2    8    4 o  1057.36   15.176  3870.24  111.062   0.0000   0.0000  3870.24  111.062  ?   ?   1057.36   15.176 0.000000 15.17637 
1 1 1    2    8    5 o  2660.00   20.447 24504.11  376.427 23795.12  630.141 24897.48  469.380  2619.35   34.759  2680.72   25.299 -61.36768 42.99067 
1 1 1    2    8    6 o  574.292   4.8992  1141.41   19.473  1141.29   27.552  1141.52   27.526  574.245   6.9324  574.301   6.9252 -0.5664063E-01 9.798758 
1 1 1    2    8    7 o  349.684   4.0968  423.192   9.9151  437.836   14.226  409.359   13.827  355.668   5.7791  343.906   5.8090 11.76141 8.194076 
1 1 1    2    8    8 o  724.016   5.7398  1814.45   28.762  1899.54   42.326  1741.45   39.204  740.706   8.2563  709.224   7.9868 31.48138 11.48720 
1 1 1    2    8    9 o  579.594   5.0578  1162.66   20.289  1179.21   29.012  1146.82   28.384  583.664   7.1819  575.595   7.1248 8.069153 10.11649 
1 1 1    2    8   10 o  1042.96   7.5675  3765.14   54.626  3909.83   80.172  3639.76   74.631  1062.68   10.900  1025.34   10.517 37.34167 15.14649 
1 1 1    2    8   11 o  560.919   5.0602  1088.90   19.645  1118.38   28.362  1061.71   27.235  568.436   7.2091  553.849   7.1050 14.58765 10.12183 
1 1 1    2    8   12 o  2107.47   14.196 15382.13  207.064 15484.87  295.028 15282.39  290.687  2113.64   20.168  2099.81   20.002 13.83643 28.40429 
1 1 1    2    8   13 o  988.775   7.3195  3384.28   50.091  3435.87   71.945  3335.76   69.782  996.134   10.435  981.524   10.272 14.61047 14.64298 
1 1 1    2    8   14 o  433.034   5.7135  649.072   17.124  661.951   30.649  643.228   20.647  437.199   10.129  431.056   6.9206 6.142517 12.26741 
1 1 1    2    8   15 o  802.578   7.3216  2230.31   40.669  2232.59   50.028  2225.85   69.837  802.874   9.0030  801.337   12.592 1.537292 15.47938 
1 1 1    2    8   16 o  232.217   5.6696  186.711   9.1123  195.224   13.071  178.661   12.710  237.389   7.9554  227.091   8.0868 10.29715 11.34391 
1 1 1    2    8   18 o   82.364   12.885   24.170   7.1046   19.773   10.135   28.419   9.9620   73.788   19.537   88.751   16.834 -14.96256 25.78930 
1 1 1    2    8   19 o   70.891   14.597   18.199   6.9234   5.4869   9.6026   31.962   9.9914   49.778   19.376   94.301   15.872 -44.52269 25.04737 
1 1 1    2    8   20 o  234.128   6.6895  190.228   10.840  228.146   19.673  173.697   12.990  255.772   11.113  223.544   8.3957 32.22870 13.92809 
1 1 1    2    8   21 f   66.010   16.244   16.005   7.3710   1.4387   9.8816   34.275   11.067   44.900   18.839   97.023   17.106 -52.12262 25.44661 
1 1 1    2    8   22 o  105.789   10.726   39.619   7.7450   52.445   10.598   24.915   11.347  121.345   12.812   81.436   20.224 39.90955 23.94072 
1 1 1    2   10    0 o  2555.63   17.009 22610.01  300.852 22073.92  414.024 23209.76  437.918  2524.72   23.694  2588.80   24.441 -64.08325 34.04046 
1 1 1    2   10    1 o  681.180   5.3689  1605.78   25.312  1524.16   34.245  1704.07   37.579  663.630   7.4559  701.704   7.7378 -38.07422 10.74539 
1 1 1    2   10    2 o  1542.17   12.170  8231.79  129.894  8034.15  219.321  8338.57  161.209  1523.26   20.803  1552.06   15.007 -28.80237 25.65140 
1 1 1    2   10    3 o  1074.42   10.868  3995.47   80.819  3961.46  113.280  4030.73  115.337  1069.75   15.300  1079.06   15.444 -9.308716 21.73922 
1 1 1    2   10    4 o  1720.56   16.544 10248.85  197.009 10146.34  275.516 10356.10  281.815  1711.57   23.258  1729.16   23.548 -17.58264 33.09750 
1 1 1    2   10    5 o  1413.18   11.270  6912.77  110.233  6945.54  135.552  6848.78  189.417  1416.43   13.827  1406.27   19.461 10.16614 23.87330 
1 1 1    2   10    6 o  1794.37   12.156 11147.53  150.966 11198.85  214.546 11097.21  212.465  1798.07   17.240  1789.90   17.151 8.168701 24.31802 
1 1 1    2   10    7 o  899.821   6.6751  2802.69   41.571  2841.29   59.527  2765.95   58.080  905.872   9.4945  893.787   9.3889 12.08514 13.35277 
1 1 1    2   10    8 o  753.090   6.7655  1963.26   35.263  2015.04   44.385  1874.63   58.067  762.892   8.4062  735.684   11.404 27.20770 14.16755 
1 1 1    2   10    9 o  1086.76   7.8096  4088.31   58.741  4159.60   84.519  4021.70   81.697  1096.02   11.142  1077.71   10.953 18.31018 15.62390 
1 1 1    2   10   10 o  447.780   4.6346  693.926   14.363  720.123   20.876  670.379   19.793  456.135   6.6128  440.100   6.4979 16.03488 9.271056 
1 1 1    2   10   11 o  1774.28   13.948 10901.40  171.278 10998.73  211.721 10717.07  291.371  1781.87   17.168  1758.06   23.946 23.81152 29.46436 
1 1 1    2   10   12 o  562.085   5.1052  1093.45   19.861  1100.38   28.309  1086.73   27.871  563.832   7.2543  560.327   7.1867 3.505432 10.21147 
1 1 1    2   10   13 o  1614.49   11.092  9026.45  123.938  9154.91  178.011  8905.61  172.662  1625.36   15.824  1603.12   15.562 22.24622 22.19382 
1 1 1    2   10   14 o  541.785   5.9397  1016.05   22.272  1055.85   28.255  950.732   36.196  552.254   7.3922  523.955   9.9814 28.29968 12.42070 
1 1 1    2   10   15 o  212.445   5.8736  156.244   8.6364  158.116   12.343  154.449   12.088  213.672   8.3466  211.182   8.2703 2.490448 11.75001 
1 1 1    2   10   16 o  298.012   5.1231  307.480   10.567  320.450   15.141  295.165   14.754  304.164   7.1925  291.913   7.3025 12.25055 10.24980 
1 1 1    2   10   17 o  124.193   10.104   53.870   8.6096   46.439   10.289   71.220   15.722  114.838   13.185  142.057   16.285 -27.21926 20.95330 
1 1 1    2   10   18 o   90.063   11.414   28.646   6.9553   36.699   9.8387   20.602   9.8337  101.616   14.392   75.223   18.909 26.39279 23.76302 
1 1 1    2   10   19 o  267.483   5.3682  247.940   9.9380  267.516   14.241  229.357   13.875  277.666   7.4104  257.065   7.7986 20.60168 10.75786 
1 1 1    2   10   20 o  169.409   7.8021   99.705   9.1480   94.312   11.472  109.122   15.160  164.236   10.142  176.261   12.508 -12.02502 16.10319 
1 1 1    2   10   21 o  127.822   10.617   57.458   9.3073   32.507   16.148   69.871   11.390   92.907   24.691  140.794   11.797 -47.88742 27.36408 
1 1 1    2   12    0 o  378.675   3.9716  496.237   10.409  524.135   15.113  471.063   14.357  389.170   5.6111  368.941   5.6224 20.22882 7.943270 
1 1 1    2   12    1 o  438.650   4.2081  665.877   12.776  678.365   18.241  653.852   17.900  442.739   5.9527  434.666   5.9499 8.073151 8.416393 
1 1 1    2   12    2 o  1496.83   10.254  7754.52  106.224  7626.69  147.544  7892.08  153.054  1484.34   14.362  1509.93   14.646 -25.59668 20.51246 
1 1 1    2   12    3 o  2023.42   19.262 14176.22  269.748 14014.63  376.669 14346.34  386.484  2011.31   27.058  2034.95   27.441 -23.63159 38.53797 
1 1 1    2   12    4 o  1370.02   13.448  6497.35  127.515  6473.17  179.564  6521.95  181.113  1367.25   18.976  1372.39   19.068 -5.137695 26.90065 
1 1 1    2   12    5 o  717.962   8.0931  1784.09   40.216  1752.19   56.000  1818.05   57.789  711.463   11.373  724.706   11.521 -13.24335 16.18882 
1 1 1    2   12    6 o  1229.88   8.6339  5236.01   73.493  5310.97  105.469  5165.27  102.465  1238.46   12.305  1221.36   12.121 17.09509 17.27223 
1 1 1    2   12    7 o  862.957   9.1481  2578.50   54.638  2578.50   54.638   0.0000   0.0000  862.957   9.1481  ?   ?  0.000000 9.148054 
1 1 1    2   12    8 o  510.246   4.7007  901.087   16.600  935.736   24.098  869.795   22.901  519.926   6.6968  501.274   6.6008 18.65210 9.403043 
1 1 1    2   12    9 o  197.621   5.4854  135.168   7.5028  122.683   14.703  139.564   8.7242  187.887   11.360  200.805   6.2773 -12.91728 12.97885 
1 1 1    2   12   10 o  778.649   6.9742  2098.50   37.585  2138.54   65.405  2078.76   45.925  785.904   12.024  774.943   8.5625 10.96082 14.76150 
1 1 1    2   12   11 o  617.137   7.5288  1318.25   32.158  1318.25   32.158   0.0000   0.0000  617.137   7.5288  ?   ?  0.000000 7.528820 
1 1 1    2   12   12 o  1199.59   9.8697  4981.90   81.944  5004.93  100.641  4936.58  141.146  1202.23   12.095  1193.62   17.085 8.612183 20.93331 
1 1 1    2   12   13 o  499.877   4.9848  864.840   17.246  876.649   24.632  853.486   24.153  503.241   7.0722  496.549   7.0281 6.692230 9.970454 
1 1 1    2   12   14 f  341.384   4.8446  403.379   11.447  390.839   16.148  416.044   16.228  336.003   6.9438  346.672   6.7637 -10.66858 9.693486 
1 1 1    2   12   15 o  191.592   6.0877  127.084   8.0724  137.480   11.742  117.767   11.116  199.233   8.5156  184.393   8.7099 14.83936 12.18107 
1 1 1    2   12   16 f  450.473   7.0567  702.895   22.001   0.0000   0.0000  702.895   22.001  ?   ?   450.473   7.0567 0.000000 7.056680 
1 1 1    2   12   17 o  358.764   4.9794  445.715   12.364  476.461   17.843  417.318   17.148  370.813   6.9526  347.024   7.1397 23.78931 9.965637 
1 1 1    2   12   18 o  213.979   6.7312  158.716   9.9687  160.508   12.048  154.829   17.749  215.102   8.0930  210.583   12.231 4.518127 14.66588 
1 1 1    2   12   19 o  232.633   6.4204  187.665   10.337  182.287   12.767  197.902   17.615  229.141   8.0502  238.462   10.673 -9.321121 13.36845 
1 1 1    2   12   20 o  101.723   10.608   36.456   7.3585   42.622   10.337   30.122   10.477  109.427   13.967   90.978   17.271 18.44872 22.21204 
1 1 1    2   12   21 o  209.269   6.0700  152.033   8.7917  144.315   12.257  160.210   12.617  203.547   8.7007  214.496   8.4989 -10.94885 12.16276 
1 1 1    2   14    0 o  1107.73   11.115  4247.11   85.218  4247.11   85.218   0.0000   0.0000  1107.73   11.115  ?   ?  0.000000 11.11519 
1 1 1    2   14    1 o  868.547   6.4462  2610.72   38.750  2649.74   55.538  2573.70   54.092  874.988   9.1709  862.343   9.0631 12.64514 12.89358 
1 1 1    2   14    2 o  668.408   5.3408  1546.14   24.707  1492.15   33.927  1607.11   36.053  656.620   7.4655  681.444   7.6441 -24.82404 10.68487 
1 1 1    2   14    3 o  844.519   12.747  2468.78   74.508   0.0000   0.0000  2468.78   74.508  ?   ?   844.519   12.747 0.000000 12.74722 
1 1 1    2   14    4 o  1291.76   12.788  5776.34  114.334  5673.17  158.655  5887.81  164.910  1279.97   17.909  1303.94   18.273 -23.97046 25.58615 
1 1 1    2   14    5 o  490.048   6.6463  831.152   22.542  845.854   32.230  817.073   31.540  494.331   9.4203  485.849   9.3795 8.482086 13.29350 
1 1 1    2   14    6 o  703.508   8.0611  1713.28   39.250  1749.76   56.399  1679.02   54.658  710.838   11.464  696.327   11.341 14.51068 16.12574 
1 1 1    2   14    7 o  741.500   5.8025  1903.15   29.778  1876.93   41.586  1930.73   42.660  736.289   8.1607  746.764   8.2539 -10.47424 11.60705 
1 1 1    2   14    8 o  111.147   5.4844   42.758   4.2189   39.004   5.9004   46.686   6.0349  105.834   8.1171  115.884   7.5658 -10.05000 11.09632 
1 1 1    2   14    9 o  714.585   5.7181  1767.32   28.280  1809.13   40.880  1728.95   39.164  722.935   8.1702  706.738   8.0066 16.19684 11.43936 
1 1 1    2   14   10 o  1087.42   9.0668  4093.23   68.238  4131.22  120.220  4075.17   82.884  1092.12   15.905  1084.94   11.038 7.182861 19.35967 
1 1 1    2   14   11 o  1209.55   9.8788  5064.62   82.700  5019.51  141.223  5088.16  102.023  1203.74   16.951  1212.25   12.160 -8.506226 20.86140 
1 1 1    2   14   12 o  441.921   4.7208  675.897   14.439  678.619   20.531  673.233   20.311  442.787   6.6994  441.027   6.6541 1.759949 9.442400 
1 1 1    2   14   13 o  675.063   6.4826  1577.42   30.288  1621.90   38.183  1501.95   49.740  684.466   8.0602  658.560   10.913 25.90515 13.56676 
1 1 1    2   14   14 o  950.982   7.1294  3130.94   46.925  3205.35   67.885  3062.86   64.936  962.003   10.196  940.396   9.9769 21.60767 14.26512 
1 1 1    2   14   15 o  361.473   4.9226  452.305   12.315  434.086   17.345  470.827   17.489  354.059   7.0784  368.746   6.8526 -14.68701 9.851983 
1 1 1    2   14   16 o  543.900   7.7123  1024.95   29.032  1013.17   41.181  1036.58   40.935  540.433   11.010  546.665   10.819 -6.231812 15.43606 
1 1 1    2   14   17 f  331.279   7.0399  380.317   16.141   0.0000   0.0000  380.317   16.141  ?   ?   331.279   7.0399 0.000000 7.039885 
1 1 1    2   14   18 o   46.185   16.321   6.5029   6.5091   11.246   8.9956   1.2901   9.4304   58.012   19.223   44.125   18.451 13.88712 26.64561 
1 1 1    2   14   19 o  289.336   6.1494  290.270   12.314  292.734   14.764  284.634   22.324  290.441   7.3445  285.854   11.283 4.587158 13.46322 
1 1 1    2   14   20 o  156.782   7.2552   85.367   7.8727   91.889   11.268   79.146   11.004  162.084   10.094  150.284   10.649 11.80008 14.67268 
1 1 1    2   14   21 o   85.076   13.730   26.080   7.8090   22.722   12.027   28.527   10.268   78.171   21.540   88.161   17.445 -9.990440 27.71831 
1 1 1    2   16    0 o  2130.20   14.282 15708.12  210.567 15521.83  293.821 15904.83  301.919  2117.21   20.051  2143.16   20.354 -25.94165 28.57195 
1 1 1    2   16    1 o  1179.97   8.3072  4818.79   67.843  4775.86   95.074  4863.32   96.839  1174.64   11.694  1185.35   11.804 -10.70459 16.61604 
1 1 1    2   16    2 f  1216.29   9.8429  5120.28   82.858  4882.93  136.298  5259.43  104.356  1187.59   16.582  1232.65   12.232 -45.06396 20.60575 
1 1 1    2   16    3 o  1327.60   9.2163  6100.28   84.684  6048.74  118.718  6153.67  120.832  1321.87   12.976  1333.28   13.094 -11.41321 18.43488 
1 1 1    2   16    4 o  232.827   6.1609  187.610   9.9278  179.317   13.683  196.829   14.427  227.613   8.6856  238.468   8.7412 -10.85524 12.32263 
1 1 1    2   16    5 o  469.324   6.5750  762.371   21.357  756.097   30.043  768.781   30.366  467.349   9.2882  471.253   9.3102 -3.903015 13.15107 
1 1 1    2   16    6 o  464.277   9.3050  746.341   29.900  746.341   29.900   0.0000   0.0000  464.277   9.3050  ?   ?  0.000000 9.305001 
1 1 1    2   16    7 o  1246.46   12.474  5382.25  107.614  5424.39  153.436  5341.46  150.971  1250.66   17.726  1241.08   17.576 9.574341 24.96245 
1 1 1    2   16    8 o  785.498   6.0702  2135.59   33.001  2183.54   47.680  2091.50   45.723  794.190   8.6743  777.278   8.4992 16.91254 12.14413 
1 1 1    2   16    9 o  1176.33   8.3514  4789.91   67.994  4903.90   98.583  4686.48   93.903  1190.07   11.969  1163.41   11.662 26.66357 16.71084 
1 1 1    2   16   10 o  830.605   6.3583  2387.79   36.552  2404.71   52.022  2371.29   51.370  833.484   9.0181  827.673   8.9675 5.811523 12.71778 
1 1 1    2   16   11 o  683.690   7.9789  1617.96   37.756  1617.96   37.756   0.0000   0.0000  683.690   7.9789  ?   ?  0.000000 7.978933 
1 1 1    2   16   12 o  507.462   5.5992  891.294   19.666  883.461   24.388  905.854   33.251  505.206   6.9748  511.519   9.3922 -6.312836 11.69879 
1 1 1    2   16   13 o  182.902   6.7743  115.802   8.5755  112.081   9.9511  126.537   16.904  179.930   7.9908  190.683   12.884 -10.75372 15.16071 
1 1 1    2   16   14 o  589.015   5.3540  1200.91   21.827  1235.30   31.483  1169.08   30.287  597.311   7.6154  581.084   7.5307 16.22644 10.71014 
1 1 1    2   16   15 o  407.858   10.786  576.585   30.448  576.585   30.448   0.0000   0.0000  407.858   10.786  ?   ?  0.000000 10.78639 
1 1 1    2   16   16 o  128.134   7.9893   57.114   7.0499   49.258   9.6630   66.054   10.308  118.532   11.941  137.554   10.917 -19.02193 16.17988 
1 1 1    2   16   17 o  260.718   6.2971  235.508   11.363  258.098   21.260  226.474   13.444  272.580   11.269  255.600   7.5997 16.97997 13.59238 
1 1 1    2   16   18 o  245.371   6.0685  208.661   10.306  211.576   12.941  203.610   17.039  246.977   7.5710  242.057   10.171 4.919678 12.67917 
1 1 1    2   16   19 o  153.374   7.2370   81.635   7.6822   94.377   10.685   67.999   11.053  164.484   9.4251  139.206   11.577 25.27747 14.92862 
1 1 1    2   16   20 o  155.304   8.2791   84.104   8.8669   80.244   14.026   86.673   11.444  150.711   13.593  157.295   10.573 -6.584045 17.22090 
1 1 1    2   16   21 o  107.328   9.6978   40.530   7.1260   38.472   9.7916   42.847   10.390  103.611   14.014  109.430   14.043 -5.819054 19.83925 
1 1 1    2   18    0 o  2071.08   13.913 14848.81  199.430 14536.85  275.323 15193.17  289.265  2048.88   19.416  2094.58   19.954 -45.70190 27.84083 
1 1 1    2   18    1 o  669.361   6.2397  1550.60   28.907  1507.05   34.526  1652.68   52.862  659.884   7.5596  690.991   11.053 -31.10687 13.39127 
1 1 1    2   18    2 o  408.809   4.9190  578.374   13.918  567.706   16.720  602.439   25.114  405.017   5.9648  417.206   8.6973 -12.18887 10.54619 
1 1 1    2   18    3 o  808.128   6.1371  2260.20   34.326  2238.76   48.109  2282.44   48.991  804.250   8.6429  812.056   8.7168 -7.805847 12.27523 
1 1 1    2   18    4 o  985.412   7.1647  3360.93   48.864  3376.83   69.391  3345.29   68.821  987.653   10.151  983.030   10.115 4.622620 14.33071 
1 1 1    2   18    5 o  817.317   12.593  2313.66   71.236  2313.66   71.236   0.0000   0.0000  817.317   12.593  ?   ?  0.000000 12.59305 
1 1 1    2   18    6 o  765.118   8.5720  2026.87   45.393  1997.56   63.473  2057.56   64.943  759.373   12.077  770.687   12.175 -11.31378 17.14901 
1 1 1    2   18    7 o  499.747   6.9803  864.515   24.143  855.122   33.933  874.146   34.360  496.952   9.8656  502.450   9.8805 -5.497162 13.96261 
1 1 1    2   18    8 o  618.372   7.3591  1323.59   31.496  1346.83   43.526  1298.05   45.632  623.710   10.083  612.291   10.768 11.41895 14.75180 
1 1 1    2   18    9 o  206.895   5.2808  148.147   7.5618  147.873   8.7236  148.976   15.166  206.700   6.0979  207.169   10.613 -0.4689331 12.23977 
1 1 1    2   18   10 o  1551.42   10.674  8332.45  114.616  8556.93  166.692  8131.14  157.853  1571.85   15.322  1532.28   14.885 39.57239 21.36181 
1 1 1    2   18   11 o  1190.69   9.8106  4908.03   80.848  4956.10  142.478  4885.20   98.187  1196.03   17.212  1187.80   11.943 8.222412 20.94990 
1 1 1    2   18   12 o  487.154   5.4701  821.388   18.443  857.073   31.675  803.084   22.686  497.552   9.1983  481.675   6.8049 15.87723 11.44181 
1 1 1    2   18   13 o  719.422   5.8822  1791.51   29.289  1808.44   41.795  1775.16   41.056  722.726   8.3556  716.048   8.2844 6.678528 11.76634 
1 1 1    2   18   14 o  807.323   8.9600  2257.26   50.065  2331.22   71.310  2185.37   70.305  820.135   12.563  794.042   12.793 26.09290 17.92987 
1 1 1    2   18   15 o  608.646   6.3527  1282.76   26.761  1282.45   32.430  1283.42   47.378  608.485   7.7004  608.401   11.252 0.8435059E-01 13.63428 
1 1 1    2   18   16 o  353.638   4.8652  433.013   11.908  413.649   16.530  453.904   17.169  345.545   6.9117  361.972   6.8534 -16.42642 9.733435 
1 1 1    2   18   17 o  216.395   5.5317  162.204   8.2848  159.526   11.444  165.153   12.009  214.503   7.7086  218.240   7.9506 -3.737030 11.07403 
1 1 1    2   18   18 o   87.252   11.214   26.915   6.6152   17.448   9.1632   37.219   9.5601   69.326   18.677  102.384   13.846 -33.05786 23.25011 
1 1 1    2   18   19 o  263.426   5.3733  240.529   9.7966  254.403   13.963  227.078   13.748  270.715   7.4525  255.729   7.7677 14.98575 10.76455 
1 1 1    2   18   20 o  185.651   7.8322  119.808   10.064  117.029   11.833  127.073   19.130  183.073   9.3706  189.591   14.694 -6.517838 17.42741 
1 1 1    2   18   21 o  114.463   9.2280   46.003   7.2484   43.672   9.9850   48.599   10.539  110.638   13.307  116.799   13.273 -6.160988 18.79446 
1 1 1    2   20    0 o  1089.29   7.7877  4106.74   58.713  4036.23   81.588  4182.47   84.555  1079.83   10.917  1099.21   11.114 -19.38306 15.57897 
1 1 1    2   20    1 o  484.553   5.2377  812.566   17.565  757.073   28.887  845.122   22.126  467.686   8.9242  494.157   6.4693 -26.47037 11.02239 
1 1 1    2   20    2 o  2117.42   14.232 15523.68  208.566 14899.72  281.310 16285.35  310.805  2073.92   19.598  2168.08   20.713 -94.16064 28.51493 
1 1 1    2   20    3 o  281.856   3.9762  274.931   7.7565  269.900   10.858  280.175   11.084  279.257   5.6177  284.523   5.6289 -5.265900 7.952537 
1 1 1    2   20    4 o  517.208   4.6816  925.817   16.759  866.639   22.633  997.637   24.934  500.380   6.5354  536.864   6.7105 -36.48447 9.367064 
1 1 1    2   20    5 o  462.752   5.2732  741.182   16.889  679.512   28.905  773.147   20.810  442.993   9.4277  472.606   6.3621 -29.61288 11.37356 
1 1 1    2   20    6 o  675.872   7.9792  1581.46   37.325  1550.24   52.003  1614.63   53.606  669.029   11.231  682.776   11.344 -13.74707 15.96264 
1 1 1    2   20    7 o  859.842   9.3451  2559.63   55.614  2623.42   80.525  2501.46   76.899  870.287   13.369  849.835   13.074 20.45178 18.69905 
1 1 1    2   20    8 o  200.948   7.8146  139.773   10.868  147.902   15.726  132.342   15.037  206.389   11.050  195.188   11.178 11.20047 15.71724 
1 1 1    2   20    9 f  518.747   4.7945  931.308   17.214  931.192   19.558  931.707   36.262  518.709   5.4477  518.787   10.099 -0.7824707E-01 11.47489 
1 1 1    2   20   10 o  682.658   6.5318  1612.94   30.861  1627.59   37.648  1582.93   53.881  685.728   7.9326  676.170   11.513 9.557739 13.98165 
1 1 1    2   20   11 o  897.137   7.7781  2785.98   48.296  2785.98   48.296   0.0000   0.0000  897.137   7.7781  ?   ?  0.000000 7.778103 
1 1 1    2   20   12 o  419.946   6.6725  610.443   19.394  621.951   31.495  603.415   24.614  423.801   10.737  417.488   8.5183 6.312347 13.70602 
1 1 1    2   20   13 o  704.815   5.8205  1719.52   28.393  1811.38   41.955  1641.90   38.567  723.297   8.3808  688.642   8.0919 34.65552 11.64972 
1 1 1    2   20   14 o  536.348   5.9985  995.883   22.267  1049.76   41.968  974.775   26.270  550.411   11.017  530.590   7.1536 19.82092 13.13552 
1 1 1    2   20   15 o  741.145   7.0283  1902.46   36.052  1906.49   43.917  1894.15   63.133  741.779   8.5543  738.878   12.345 2.900696 15.01951 
1 1 1    2   20   16 o  260.415   5.1547  234.834   9.2906  229.448   13.047  240.375   13.233  257.325   7.3258  263.384   7.2591 -6.058807 10.31318 
1 1 1    2   20   17 f  189.283   5.8404  124.127   7.6512  128.678   10.699  119.364   10.946  192.623   8.0250  185.495   8.5263 7.128098 11.70891 
1 1 1    2   20   18 o  106.381   9.2312   39.605   6.7293   34.515   9.3115   45.169   9.7360   98.467   14.063  113.154   12.648 -14.68631 18.91389 
1 1 1    2   20   19 o   84.718   13.111   25.660   7.4394   22.990   11.495   27.583   9.7584   79.078   20.745   87.148   16.788 -8.070915 26.68678 
1 1 1    2   20   20 o   50.538   16.722   8.6304   6.8078   10.337   9.1017   6.4635   10.257   56.189   19.336   51.928   20.078 4.260994 27.87429 
1 1 1    2   20   21 o   48.893   17.888   7.0512   7.8989   0.3866   9.0940   27.527   15.940   41.895   17.847   85.490   25.216 -43.59483 30.89272 
1 1 1    2   22    0 o  383.315   6.0359  508.522   16.013   0.0000   0.0000  508.522   16.013  ?   ?   383.315   6.0359 0.000000 6.035885 
1 1 1    2   22    1 f  825.578   6.2729  2358.97   35.843  2290.04   49.314  2436.17   52.187  813.374   8.7599  838.917   8.9881 -25.54297 12.55081 
1 1 1    2   22    2 f  1163.97   8.2535  4689.77   66.490  4519.55   90.485  4889.56   98.031  1142.50   11.443  1188.32   11.919 -45.82129 16.52305 
1 1 1    2   22    3 o  257.065   4.0694  228.702   7.2402  219.933   10.009  238.326   10.486  252.078   5.7370  262.407   5.7736 -10.32872 8.139329 
1 1 1    2   22    4 o  936.778   7.9358  3038.07   51.452  2992.66   62.338  3135.12   91.134  929.658   9.6883  951.228   13.843 -21.56982 16.89620 
1 1 1    2   22    5 f  741.161   5.8222  1901.40   29.866  1802.48   40.267  2022.35   44.528  721.548   8.0631  764.275   8.4179 -42.72675 11.65651 
1 1 1    2   22    6 o  585.438   7.4330  1186.43   30.118  1150.24   41.710  1225.85   43.534  576.353   10.456  594.991   10.572 -18.63739 14.86911 
1 1 1    2   22    7 o  1195.98   12.086  4953.06  100.043  4912.19  140.475  4995.12  142.512  1190.65   17.047  1200.65   17.150 -9.998657 24.18054 
1 1 1    2   22    8 o  913.137   9.8117  2886.52   62.009  2907.32   88.372  2866.34   87.032  916.254   13.936  909.779   13.822 6.474365 19.62763 
1 1 1    2   22    9 o  977.958   10.358  3310.89   70.109  3320.00   99.603  3301.95   98.701  979.122   14.698  976.462   14.605 2.660645 20.72015 
1 1 1    2   22   10 o  1623.64   12.879  9128.41  144.725  9128.41  144.725   0.0000   0.0000  1623.64   12.879  ?   ?  0.000000 12.87880 
1 1 1    2   22   11 o  900.834   6.7981  2808.88   42.385  2833.58   49.013  2735.61   84.404  904.755   7.8271  888.707   13.722 16.04785 15.79763 
1 1 1    2   22   12 o  786.196   6.2160  2139.51   33.823  2148.54   38.852  2111.22   68.739  787.826   7.1254  780.683   12.722 7.142395 14.58142 
1 1 1    2   22   13 o  510.282   10.765  901.951   38.018   0.0000   0.0000  901.951   38.018  ?   ?   510.282   10.765 0.000000 10.76475 
1 1 1    2   22   14 o  194.929   6.9450  131.569   9.3697  128.865   10.840  139.561   18.633  192.894   8.1195  200.142   13.531 -7.248062 15.78027 
1 1 1    2   22   15 o  207.658   6.6085  149.350   9.4979  144.140   10.967  164.976   18.995  203.973   7.7688  217.646   12.665 -13.67374 14.85764 
1 1 1    2   22   16 o  386.394   5.3696  517.060   14.360  518.797   18.143  514.146   23.495  386.955   6.7744  385.054   8.8160 1.901093 11.11818 
1 1 1    2   22   17 o   89.065   10.502   27.938   6.3493   32.511   9.0258   23.457   8.9336   95.589   14.063   80.489   16.588 15.10030 21.74717 
1 1 1    2   22   18 o  302.641   5.0249  317.339   10.525  316.256   15.114  318.359   14.666  301.931   7.2325  302.957   6.9946 -1.026550 10.06149 
1 1 1    2   22   19 o  228.366   6.7420  180.980   10.656  159.024   20.449  189.165   12.485  212.642   13.972  233.369   7.7300 -20.72696 15.96818 
1 1 1    2   22   20 o  214.675   5.7824  159.909   8.5914  150.618   12.013  169.636   12.292  208.045   8.3430  220.833   8.0422 -12.78751 11.58804 
1 1 1    2   22   21 o  140.765   8.1750   69.295   7.9302   76.465   10.997   61.527   11.446  147.323   10.862  131.608   12.725 15.71490 16.73055 
1 1 1    2   24    0 o  452.438   6.4329  708.526   20.144   0.0000   0.0000  708.526   20.144  ?   ?   452.438   6.4329 0.000000 6.432902 
1 1 1    2   24    1 o  1414.39   9.7942  6926.38   95.877  6746.16  131.821  7128.79  139.703  1395.53   13.648  1434.52   14.071 -38.98560 19.60258 
1 1 1    2   24    2 o  895.485   6.6856  2775.75   41.436  2778.00   58.545  2773.48   58.654  895.730   9.4435  895.000   9.4689 0.7300415 13.37313 
1 1 1    2   24    3 o  230.543   5.9187  183.973   9.4439  183.973   9.4439   0.0000   0.0000  230.543   5.9187  ?   ?  0.000000 5.918660 
1 1 1    2   24    4 o  543.802   4.8641  1023.53   18.307  1037.50   26.090  1009.98   25.695  547.456   6.8857  540.148   6.8731 7.308899 9.728982 
1 1 1    2   24    5 o  1074.50   7.7292  3996.82   57.481  3924.95   79.852  4074.12   82.808  1064.62   10.837  1084.65   11.031 -20.02844 15.46356 
1 1 1    2   24    6 o  545.825   6.8794  1031.22   25.988   0.0000   0.0000  1031.22   25.988  ?   ?   545.825   6.8794 0.000000 6.879401 
1 1 1    2   24    7 o  595.434   7.5671  1227.19   31.184  1210.24   43.940  1244.39   44.265  591.240   10.738  599.525   10.668 -8.284485 15.13616 
1 1 1    2   24    8 o  1851.79   17.838 11879.73  228.618 12009.76  327.462 11756.10  319.322  1860.85   25.426  1841.15   25.059 19.69763 35.69901 
1 1 1    2   24    9 o  654.757   8.0846  1483.90   36.637  1484.39   51.876  1483.42   51.749  654.791   11.447  654.576   11.423 0.2145996 16.17115 
1 1 1    2   24   10 o  1111.00   11.471  4273.77   88.205  4331.71  126.546  4219.02  123.012  1118.20   16.351  1103.58   16.105 14.62195 22.95087 
1 1 1    2   24   11 f  1205.19   8.5928  5028.38   71.675  5133.16   84.201  4752.68  136.580  1217.60   9.9916  1171.04   16.852 46.56177 19.59096 
1 1 1    2   24   12 o  783.365   7.0693  2124.33   38.328  2149.57   46.484  2070.73   67.742  787.944   8.5238  773.130   12.660 14.81421 15.26199 
1 1 1    2   24   13 o  550.613   7.3254  1049.67   27.916  1049.67   27.916   0.0000   0.0000  550.613   7.3254  ?   ?  0.000000 7.325413 
1 1 1    2   24   14 o  190.001   6.8915  125.010   9.0624  131.260   10.430  105.756   18.307  194.675   7.7410  173.855   15.373 20.81996 17.21174 
1 1 1    2   24   15 o  273.990   5.2037  259.933   9.8679  263.367   11.116  247.171   21.432  275.774   5.8241  266.879   11.603 8.894806 12.98263 
1 1 1    2   24   16 o  155.255   7.0480   83.533   7.5734   85.470   8.5775   76.683   16.131  156.815   7.9288  147.458   16.066 9.356842 17.91574 
1 1 1    2   24   17 o  162.476   7.0309   91.528   7.9064   95.101   9.0271   79.756   16.384  165.578   7.8771  150.250   16.001 15.32724 17.83514 
1 1 1    2   24   18 o  261.812   5.6634  237.589   10.262  239.515   11.765  231.463   20.986  262.806   6.4681  257.725   11.765 5.080780 13.42578 
1 1 1    2   24   19 f  125.074   9.4836   54.761   8.1484   53.367   9.2463   59.610   17.240  123.224   10.956  128.145   20.100 -4.921127 22.89181 
1 1 1    2   24   20 o  205.390   8.2796  146.831   11.770  143.275   14.947  152.634   19.093  202.218   10.718  208.048   13.330 -5.830734 17.10441 
1 1 1    2   26    0 o  568.458   5.7952  1118.51   22.800  1093.65   27.464  1173.66   40.898  562.073   7.0600  582.167   10.150 -20.09442 12.36412 
1 1 1    2   26    1 o  941.580   8.0569  3069.40   52.505  3060.98   90.867  3073.62   64.332  939.873   13.969  942.124   9.8660 -2.250610 17.10157 
1 1 1    2   26    2 o  694.955   5.6279  1671.69   27.070  1627.19   37.378  1720.77   39.256  685.571   7.8774  705.004   8.0451 -19.43280 11.25957 
1 1 1    2   26    3 o  830.701   6.3469  2388.65   36.491  2274.55   49.300  2526.91   54.268  810.519   8.7884  854.280   9.1784 -43.76099 12.70741 
1 1 1    2   26    4 o  528.873   4.8401  968.073   17.717  951.364   24.733  985.680   25.390  524.254   6.8165  533.624   6.8745 -9.370117 9.681100 
1 1 1    2   26    5 o  794.601   7.0340  2185.49   38.684  2099.02   63.815  2235.72   48.639  778.554   11.843  803.627   8.7449 -25.07373 14.72173 
1 1 1    2   26    6 f  504.797   4.7228  881.903   16.500  823.528   22.325  952.188   24.497  487.783   6.6127  524.502   6.7481 -36.71912 9.448013 
1 1 1    2   26    7 o  1303.17   13.024  5880.42  117.472  5863.42  165.805  5897.56  166.458  1300.89   18.415  1304.67   18.434 -3.780884 26.05671 
1 1 1    2   26    8 f  671.379   8.1194  1560.19   37.728  1553.17   53.167  1567.32   53.547  669.793   11.469  672.836   11.499 -3.042603 16.24057 
1 1 1    2   26    9 o  726.567   12.082  1827.81   60.755  1827.81   60.755   0.0000   0.0000  726.567   12.082  ?   ?  0.000000 12.08168 
1 1 1    2   26   10 o  1115.07   11.527  4305.46   88.961  4322.44  126.388  4288.78  125.240  1116.93   16.350  1112.58   16.264 4.350342 23.06158 
1 1 1    2   26   11 o  448.620   7.4737  696.701   23.205  676.585   32.714  717.073   32.922  442.021   10.693  455.061   10.453 -13.04019 14.95369 
1 1 1    2   26   12 o  522.414   5.0089  944.623   18.111  967.950   20.710  868.781   37.342  528.811   5.6584  500.832   10.773 27.97910 12.16830 
1 1 1    2   26   13 o  332.793   5.6093  383.388   12.920  389.771   15.153  366.390   24.726  335.532   6.5252  325.179   10.986 10.35287 12.77791 
1 1 1    2   26   14 o  484.799   4.9733  813.662   16.687  827.072   19.017  768.781   34.791  488.751   5.6219  470.901   10.675 17.85034 12.06472 
1 1 1    2   26   15 o  532.569   5.1985  982.131   19.162  1000.20   21.977  924.878   39.127  537.395   5.9089  516.259   10.950 21.13611 12.44297 
1 1 1    2   26   16 o  279.677   5.1684  270.909   10.004  275.514   11.302  254.244   21.502  282.014   5.7905  270.493   11.485 11.52057 12.86257 
1 1 1    2   26   17 o  213.320   7.4070  157.831   10.936  174.634   13.756  128.976   18.027  224.279   8.8620  191.842   13.666 32.43689 16.28794 
1 1 1    2   26   18 o  323.843   5.2636  363.465   11.798  367.046   13.443  351.463   24.610  325.365   5.9696  317.619   11.195 7.745483 12.68722 
1 1 1    2   26   19 o  109.441   10.304   42.115   7.7133   36.311   8.6117   65.659   17.345  101.129   12.575  134.811   19.126 -33.68143 22.88949 
1 1 1    2   26   20 f  123.992   10.587   54.119   8.9987   54.119   8.9987   0.0000   0.0000  123.992   10.587  ?   ?  0.000000 10.58744 
1 1 1    2   28    0 o  656.508   5.4786  1491.80   24.893  1443.84   34.177  1545.99   36.331  645.811   7.6463  668.258   7.8551 -22.44635 10.96218 
1 1 1    2   28    1 o  1114.42   7.9924  4299.52   61.646  4238.29   85.904  4364.53   88.515  1106.24   11.220  1122.58   11.393 -16.34033 15.98989 
1 1 1    2   28    2 o  562.506   7.0919  1095.29   27.610  1095.29   27.610   0.0000   0.0000  562.506   7.0919  ?   ?  0.000000 7.091864 
1 1 1    2   28    3 o  1468.37   10.147  7465.44  103.119  7311.88  142.591  7633.81  149.305  1452.82   14.181  1484.42   14.533 -31.59827 20.30498 
1 1 1    2   28    4 o  582.835   5.9623  1175.74   24.051  1155.74   28.787  1221.95   43.768  577.836   7.1980  594.072   10.645 -16.23523 12.85002 
1 1 1    2   28    5 f  514.564   6.7871  916.450   24.171  916.450   24.171   0.0000   0.0000  514.564   6.7871  ?   ?  0.000000 6.787088 
1 1 1    2   28    6 o  373.169   4.3323  481.933   11.189  473.051   15.678  491.155   15.975  369.701   6.1271  376.709   6.1270 -7.008209 8.664974 
1 1 1    2   28    7 o  1178.04   8.4056  4803.64   68.534  4616.95   93.033  5025.17  101.343  1154.80   11.640  1204.74   12.154 -49.94702 16.82892 
1 1 1    2   28    8 o  1621.30   22.376  9112.20  251.089  9112.20  251.089   0.0000   0.0000  1621.30   22.376  ?   ?  0.000000 22.37623 
1 1 1    2   28    9 f  926.966   10.043  2974.77   64.435  2959.51   90.813  2990.24   91.440  924.396   14.194  929.181   14.219 -4.785767 20.09105 
1 1 1    2   28   10 o  860.305   9.5514  2562.45   56.872  2545.37   79.903  2580.00   80.965  857.233   13.467  863.040   13.555 -5.807129 19.10764 
1 1 1    2   28   11 o  545.308   7.8212  1029.44   29.519  1059.02   43.364  1003.90   40.296  552.966   11.331  538.403   10.814 14.56311 15.66266 
1 1 1    2   28   12 o  825.476   9.3784  2359.83   53.581  2421.95   77.667  2303.42   74.014  835.943   13.424  815.258   13.117 20.68500 18.76880 
1 1 1    2   28   13 o  511.104   4.9440  904.267   17.489  910.288   19.754  882.439   37.612  512.782   5.5661  504.612   10.770 8.170197 12.12292 
1 1 1    2   28   14 o  190.797   5.9387  126.059   7.8423  126.059   7.8423   0.0000   0.0000  190.797   5.9387  ?   ?  0.000000 5.938733 
1 1 1    2   28   15 o  198.340   5.4910  136.239   7.5376  134.503   8.2131  145.512   18.980  197.056   6.0220  204.141   13.510 -7.084320 14.79113 
1 1 1    2   28   16 o  222.804   5.4546  171.962   8.4112  170.073   9.3316  180.146   19.424  221.549   6.0857  227.232   12.397 -5.682556 13.81048 
1 1 1    2   28   17 o  284.144   5.2602  279.742   10.345  288.941   11.719  247.268   22.017  288.735   5.8642  266.463   11.939 22.27167 13.30108 
1 1 1    2   28   18 o  258.572   6.1484  231.875   11.003  224.171   12.632  256.098   22.399  254.139   7.1819  270.927   11.945 -16.78720 13.93811 
1 1 1    2   28   19 o   33.578   14.876  -2.2084   6.8556   2.6417   7.5475 -25.0829   16.391   41.547   16.846   40.243   19.439 1.304050 25.72259 
1 1 1    2   28   20 o  143.539   8.3309   72.016   8.2407   68.968   9.3347   82.780   17.543  140.212   9.6784  151.688   17.003 -11.47571 19.56421 
1 1 1    2   30    0 o  1059.06   7.6845  3882.59   56.326  3746.12   76.799  4041.46   82.861  1040.14   10.668  1080.34   11.082 -40.19836 15.38233 
1 1 1    2   30    1 o  660.874   6.3567  1511.72   29.076  1466.88   34.765  1616.10   53.040  650.968   7.7161  683.164   11.218 -32.19611 13.61528 
1 1 1    2   30    2 o  1616.55   12.821  9050.24  143.451  9595.12  264.971  8824.32  170.617  1663.07   23.020  1595.96   15.446 67.10474 27.72215 
1 1 1    2   30    3 o  1906.92   12.909 12593.00  170.374 12519.54  239.450 12668.32  242.469  1900.67   18.202  1911.91   18.324 -11.24158 25.82795 
1 1 1    2   30    4 o  953.800   8.1197  3149.02   53.601  3118.54   91.246  3165.09   66.234  948.932   13.893  956.165   10.009 -7.233337 17.12286 
1 1 1    2   30    5 o  178.565   5.9529  110.356   7.3571  111.605   8.4495  106.439   14.959  179.570   6.7986  174.889   12.440 4.680969 14.17653 
1 1 1    2   30    6 o  1047.12   7.6062  3795.13   55.124  3646.35   74.898  3970.97   81.426  1026.30   10.544  1070.99   10.985 -44.69299 15.22664 
1 1 1    2   30    7 o  1612.28   15.655  9002.96  174.689  9002.96  174.689   0.0000   0.0000  1612.28   15.655  ?   ?  0.000000 15.65486 
1 1 1    2   30    8 o  491.306   7.4302  835.490   25.265  842.439   36.047  828.781   35.423  493.292   10.558  489.279   10.460 4.013336 14.86254 
1 1 1    2   30    9 o  1070.91   11.193  3971.09   82.961  3926.34  115.934  4018.05  118.767  1064.56   15.735  1076.91   15.935 -12.34473 22.39408 
1 1 1    2   30   10 o  916.824   14.112  2912.20   89.548   0.0000   0.0000  2912.20   89.548  ?   ?   916.824   14.112 0.000000 14.11220 
1 1 1    2   30   11 o  613.114   8.0739  1301.48   34.261  1298.05   48.543  1304.88   48.363  612.159   11.457  613.771   11.385 -1.611938 16.15191 
1 1 1    2   30   12 o  885.040   9.8115  2713.22   60.100  2770.73   86.689  2660.00   83.396  893.930   14.011  875.916   13.756 18.01440 19.63569 
1 1 1    2   30   13 o  285.657   8.2350  282.663   16.281  268.829   22.928  296.732   23.123  278.429   11.898  292.546   11.420 -14.11664 16.49196 
1 1 1    2   30   14 o  292.176   4.5834  295.548   9.2686  298.225   10.125  281.707   23.024  293.484   4.9847  284.907   11.676 8.576935 12.69578 
1 1 1    2   30   15 o  186.571   5.4720  120.560   7.0659  123.636   7.6654  103.171   18.226  188.924   5.8623  171.392   15.533 17.53246 16.60264 
1 1 1    2   30   16 o  265.477   5.4798  244.166   10.069  241.148   11.399  254.878   21.476  263.787   6.2435  270.729   11.462 -6.941559 13.05196 
1 1 1    2   30   17 f  166.793   6.3731   96.460   7.3571  102.122   8.0545   67.951   18.075  171.595   6.7820  137.580   19.531 34.01535 20.67456 
1 1 1    2   30   18 o  190.783   6.1888  126.256   8.1719  126.032   8.9272  127.415   20.299  190.570   6.7684  189.853   15.586 0.7161407 16.99229 
1 1 1    2   30   19 o  252.982   7.1242  222.362   12.474  222.362   12.474   0.0000   0.0000  252.982   7.1242  ?   ?  0.000000 7.124225 
1 1 1    2   30   20 o   59.858   16.343   13.161   6.9611   18.132   7.6708 -10.0390   16.571   70.090   16.145   48.037   22.020 22.05320 27.30466 
1 1 1    2   32    0 o  787.272   7.1215  2145.30   38.804  2093.69   46.457  2264.39   70.570  777.706   8.6310  808.645   12.609 -30.93939 15.28017 
1 1 1    2   32    1 o  836.883   6.4419  2424.10   37.313  2326.76   50.781  2538.32   55.008  819.843   8.9494  856.294   9.2818 -36.45105 12.89354 
1 1 1    2   32    2 o  242.506   4.8299  203.531   8.1065  213.179   11.459  193.866   11.469  248.176   6.6714  236.666   7.0021 11.51064 9.671453 
1 1 1    2   32    3 f  925.240   9.7844  2963.54   62.656   0.0000   0.0000  2963.54   62.656  ?   ?   925.240   9.7844 0.000000 9.784389 
1 1 1    2   32    4 o  1679.13   11.474  9761.44  133.345  9692.28  187.097  9832.84  190.095  1672.79   16.160  1684.86   16.302 -12.07336 22.95418 
1 1 1    2   32    5 o  743.523   5.9329  1913.32   30.531  1880.09   42.589  1948.44   43.790  736.998   8.3494  750.273   8.4330 -13.27551 11.86707 
1 1 1    2   32    6 o  365.709   6.2491  462.887   15.817  462.887   15.817   0.0000   0.0000  365.709   6.2491  ?   ?  0.000000 6.249115 
1 1 1    2   32    7 o  961.862   7.1632  3202.24   47.687  2992.82   62.909  3485.11   73.115  929.804   9.7757  1003.34   10.529 -73.53387 14.36730 
1 1 1    2   32    8 o  1188.92   8.5103  4893.15   70.029  4629.41   93.356  5232.48  105.895  1156.28   11.666  1229.23   12.447 -72.95850 17.05910 
1 1 1    2   32    9 o  1220.53   12.434  5159.39  105.039  5014.63  144.421  5321.95  153.048  1202.81   17.348  1239.06   17.847 -36.25085 24.88903 
1 1 1    2   32   10 o  651.713   8.2592  1470.46   37.254  1463.42   52.580  1477.56   52.791  650.004   11.688  653.139   11.678 -3.134644 16.52209 
1 1 1    2   32   11 o  793.503   9.1777  2180.48   50.403  2208.78   72.263  2153.66   70.339  798.346   13.078  788.337   12.892 10.00867 18.36383 
1 1 1    2   32   12 o  173.652   11.177  104.939   13.362   93.610   18.767  116.585   19.028  163.338   16.843  182.673   15.188 -19.33502 22.67899 
1 1 1    2   32   13 o  206.770   9.7235  148.194   13.915  157.415   19.270  138.146   20.115  212.557   13.164  198.890   14.717 13.66745 19.74535 
1 1 1    2   32   14 o  299.695   7.9469  311.283   16.484  339.463   24.106  286.537   22.590  312.741   11.137  287.311   11.360 25.42978 15.90876 
1 1 1    2   32   15 o  340.519   4.9340  401.570   11.628  418.912   13.321  346.049   23.835  347.760   5.5346  315.635   10.911 32.12454 12.23429 
1 1 1    2   32   16 o  113.577   7.3076   44.922   5.7139   44.807   6.1104   45.717   16.125  113.380   7.8349  112.085   21.569 1.294731 22.94755 
1 1 1    2   32   17 o  175.360   6.0225  106.618   7.3094  108.695   7.9177   94.634   19.016  177.035   6.4619  163.281   17.080 13.75377 18.26169 
1 1 1    2   32   18 o  264.512   5.3148  242.579   9.7300  244.684   10.627  231.658   24.202  265.612   5.7806  256.793   13.666 8.819244 14.83855 
1 1 1    2   32   19 o  175.544   6.5936  107.034   8.0110  103.442   8.7246  126.341   20.225  172.501   7.3076  188.515   15.643 -16.01405 17.26551 
1 1 1    2   34    0 o  854.025   7.5569  2524.51   44.668  2457.60   53.345  2681.46   81.706  842.593   9.1474  879.981   13.415 -37.38824 16.23725 
1 1 1    2   34    1 o  1146.84   8.2196  4552.60   65.243  4404.77   89.163  4722.97   95.720  1127.95   11.421  1167.96   11.841 -40.01074 16.45191 
1 1 1    2   34    2 o  1117.96   8.0563  4326.09   62.336  4182.90   85.158  4491.37   91.495  1099.19   11.194  1138.98   11.607 -39.79053 16.12492 
1 1 1    2   34    3 o  1106.18   9.1863  4235.62   70.330  4140.98  118.641  4286.90   87.329  1093.45   15.677  1112.77   11.339 -19.31519 19.34768 
1 1 1    2   34    4 o  520.961   4.9615  939.273   17.889  953.530   25.509  925.475   25.095  524.878   7.0219  517.099   7.0120 7.779114 9.923454 
1 1 1    2   34    5 o  1294.65   9.1092  5801.89   81.622  5597.07  111.093  6042.15  120.320  1271.43   12.625  1320.98   13.160 -49.55579 18.23658 
1 1 1    2   34    6 o  589.531   7.3270  1202.94   29.896  1202.94   29.896   0.0000   0.0000  589.531   7.3270  ?   ?  0.000000 7.327041 
1 1 1    2   34    7 o  454.197   4.7047  713.964   14.790  643.201   19.626  806.950   22.498  431.083   6.5781  482.846   6.7322 -51.76334 9.412436 
1 1 1    2   34    8 o  117.523   6.0115   47.930   4.8733   51.593   6.5193   43.291   7.3367  121.836   7.7718  111.409   9.6089 10.42731 12.35843 
1 1 1    2   34    9 o  1373.28   13.727  6533.71  130.472  6439.02  181.855  6634.15  187.296  1362.53   19.284  1382.97   19.568 -20.44409 27.47314 
1 1 1    2   34   10 o  767.182   9.0244  2038.02   47.917  2011.22   66.850  2066.34   68.720  761.894   12.677  772.251   12.857 -10.35687 18.05612 
1 1 1    2   34   11 o  267.522   8.5681  247.846   15.864  273.122   22.806  224.146   22.083  280.742   11.737  254.304   12.547 26.43835 17.18069 
1 1 1    2   34   12 o  576.008   11.244  1150.24   44.827  1150.24   44.827   0.0000   0.0000  576.008   11.244  ?   ?  0.000000 11.24436 
1 1 1    2   34   13 o   56.886   21.031   8.8210   10.962   5.8683   15.585   11.712   15.422   60.395   24.305   66.538   24.876 -6.143021 34.77861 
1 1 1    2   34   14 o  189.736   10.234  125.289   13.389  101.317   19.509  146.634   18.409  169.649   16.838  204.971   13.044 -35.32201 21.29920 
1 1 1    2   34   15 o  268.414   8.2147  249.904   15.261  237.658   22.095  261.073   21.102  261.385   12.214  274.079   11.124 -12.69418 16.52042 
1 1 1    2   34   16 f  349.763   7.6481  424.449   18.514  450.390   26.848  400.927   25.566  359.832   10.780  339.483   10.881 20.34995 15.31688 
1 1 1    2   34   17 o  223.959   4.9938  173.819   7.7406  182.382   8.3949  125.219   20.000  229.389   5.2877  188.338   15.480 41.05132 16.35798 
1 1 1    2   34   18 o  247.679   5.1006  212.684   8.7435  217.443   9.4796  185.561   22.631  250.400   5.4699  229.457   14.322 20.94290 15.33090 
1 1 1    2   34   19 o  212.724   7.4433  157.399   10.959  162.190   12.973  145.463   20.477  215.738   8.6883  202.502   14.711 13.23518 17.08496 
1 1 1    2   36    0 o  971.107   7.2138  3264.03   48.485  3161.70   66.496  3380.19   70.846  955.686   10.053  988.148   10.359 -32.46124 14.43522 
1 1 1    2   36    1 f  1065.32   7.7842  3928.17   57.394  3679.24   75.848  4261.68   87.792  1030.92   10.630  1109.49   11.433 -78.57190 15.61117 
1 1 1    2   36    2 o  1464.30   11.730  7423.36  118.876  7034.15  193.855  7657.92  150.492  1424.83   19.658  1487.07   14.622 -62.24695 24.49970 
1 1 1    2   36    3 o  1154.15   9.5429  4611.08   76.229  4534.37   91.964  4779.51  136.269  1144.43   11.611  1174.68   16.761 -30.24927 20.38964 
1 1 1    2   36    4 o  190.761   6.7036  125.949   8.8507  117.171   16.759  129.344   10.423  183.473   13.288  193.310   7.7902 -9.836975 15.40320 
1 1 1    2   36    5 o  805.957   6.3067  2248.19   35.180  2178.44   48.318  2326.89   51.320  793.300   8.8003  819.878   9.0440 -26.57776 12.61900 
1 1 1    2   36    6 o  664.547   5.6047  1528.47   25.779  1442.54   34.727  1633.93   38.473  645.559   7.7724  687.043   8.0909 -41.48376 11.21927 
1 1 1    2   36    7 f  1091.97   7.9159  4127.61   59.826  3947.03   80.723  4347.66   89.110  1067.67   10.924  1120.51   11.490 -52.84094 15.85448 
1 1 1    2   36    8 o  284.629   4.9869  280.393   9.8239  262.829   14.656  294.724   13.238  275.543   7.6850  291.796   6.5551 -16.25354 10.10090 
1 1 1    2   36    9 o  263.125   4.4410  239.624   8.0875  236.886   11.107  242.714   11.800  261.601   6.1343  264.796   6.4385 -3.195007 8.892940 
1 1 1    2   36   10 o  374.107   7.6880  484.579   19.906  495.122   28.430  474.439   27.882  378.056   10.865  370.075   10.886 7.981262 15.38014 
1 1 1    2   36   11 o  437.411   7.4535  662.555   22.564  677.073   32.054  648.293   31.770  442.031   10.477  432.527   10.613 9.504303 14.91322 
1 1 1    2   36   12 o  292.322   7.9021  296.032   15.988  302.976   22.887  289.415   22.343  295.571   11.188  288.881   11.175 6.689789 15.81273 
1 1 1    2   36   14 o  137.669   17.732   67.268   16.503   0.0000   0.0000   67.268   16.503  ?   ?   137.669   17.732 0.000000 17.73200 
1 1 1    2   36   15 o  329.040   7.6498  375.510   17.421  368.439   25.086  382.098   24.212  325.518   11.135  331.578   10.550 -6.059296 15.33914 
1 1 1    2   36   16 o  169.448   10.854  100.336   12.663   77.171   17.681  124.732   18.144  147.199   17.710  188.445   14.012 -41.24533 22.58248 
1 1 1    2   36   18 o  124.342   6.5298   53.827   5.5998   54.945   5.9121   44.078   17.462  125.594   6.8269  108.529   23.894 17.06516 24.85018 
1 1 1    2   36   19 o  143.611   7.0496   71.732   7.0069   75.080   7.5768   51.951   18.416  146.689   7.4879  117.462   23.474 29.22737 24.63966 
1 1 1    2   38    0 o  957.739   7.1625  3174.79   47.478  3088.91   65.409  3270.43   69.024  944.620   10.005  971.971   10.260 -27.35052 14.33075 
1 1 1    2   38    1 o  1107.15   9.2519  4243.12   70.895  4129.76  119.221  4305.13   88.180  1091.97   15.775  1115.13   11.425 -23.16370 19.47778 
1 1 1    2   38    2 o  608.395   5.3845  1281.04   22.673  1230.79   31.044  1338.48   33.193  596.316   7.5218  621.854   7.7121 -25.53717 10.77287 
1 1 1    2   38    3 o  973.817   7.2556  3282.33   48.902  3201.81   67.477  3371.40   70.970  961.713   10.138  986.844   10.391 -25.13086 14.51690 
1 1 1    2   38    4 o  1441.79   10.032  7196.45  100.103  6992.41  137.260  7428.27  146.306  1420.94   13.957  1464.52   14.434 -43.57874 20.07825 
1 1 1    2   38    5 o  355.210   5.6738  436.695   13.949  415.171   25.172  446.234   16.757  346.287   10.503  359.059   6.7429 -12.77124 12.48087 
1 1 1    2   38    6 o  332.226   4.7476  382.000   10.917  407.408   15.591  357.563   15.290  343.080   6.5660  321.405   6.8736 21.67487 9.505745 
1 1 1    2   38    7 o  766.192   6.1536  2031.96   32.632  1892.94   43.282  2215.06   49.672  739.446   8.4572  799.871   8.9725 -60.42523 12.33001 
1 1 1    2   38    8 o  800.937   6.2966  2220.54   34.904  2150.27   47.872  2300.29   51.000  788.063   8.7770  815.077   9.0406 -27.01392 12.60034 
1 1 1    2   38    9 o  719.561   5.8891  1792.28   29.329  1666.81   38.904  1957.47   44.639  693.829   8.1015  751.870   8.5781 -58.04083 11.79908 
1 1 1    2   38   10 f  548.971   7.8831  1043.61   29.952  1040.98   41.986  1046.34   42.740  548.098   11.068  549.497   11.238 -1.399414 15.77329 
1 1 1    2   38   11 o  529.188   7.8591  970.000   28.785  955.122   40.076  985.854   41.370  524.876   11.032  533.237   11.209 -8.361450 15.72757 
1 1 1    2   38   12 o  583.122   7.9372  1178.21   32.033  1202.93   46.089  1155.12   44.554  588.815   11.309  577.017   11.156 11.79822 15.88603 
1 1 1    2   38   13 o  105.128   22.155   40.166   15.612   0.0000   0.0000   40.166   15.612  ?   ?   105.128   22.155 0.000000 22.15549 
1 1 1    2   38   14 o  124.549   13.657   54.655   11.579   45.444   17.081   62.488   15.751  111.654   22.872  132.560   17.603 -20.90682 28.86215 
1 1 1    2   38   15 o  239.301   8.5986  198.794   14.241  209.854   20.767  188.976   19.567  245.473   12.223  232.633   12.195 12.83980 17.26654 
1 1 1    2   38   16 o  158.024   11.515   87.483   12.508   86.683   17.160   88.390   18.269  156.395   16.082  157.728   17.004 -1.332275 23.40464 
1 1 1    2   38   17 o  235.218   9.7827  192.695   15.926  183.268   21.138  205.073   24.221  228.366   13.433  241.296   14.572 -12.93021 19.81846 
1 1 1    2   38   18 o  120.803   15.532   52.325   12.685   43.376   17.600   62.000   18.299  107.344   24.260  129.950   21.068 -22.60575 32.13069 
1 1 1    2   40    0 o  1026.00   8.7298  3643.91   61.991  3512.20  103.524  3717.55   77.403  1007.02   14.853  1036.24   10.792 -29.22339 18.36030 
1 1 1    2   40    1 o  665.809   5.6840  1534.26   26.193  1491.67   36.251  1580.79   37.887  656.463   7.9788  675.786   8.1004 -19.32245 11.37002 
1 1 1    2   40    2 o  1706.79   13.496 10088.37  159.423  9978.07  192.802 10326.83  283.478  1697.14   16.414  1725.55   23.736 -28.40405 28.85896 
1 1 1    2   40    3 o  722.903   5.9490  1808.72   29.765  1761.82   40.995  1861.01   43.286  713.418   8.3025  733.221   8.5298 -19.80225 11.90328 
1 1 1    2   40    4 o  1226.17   10.068  5205.38   85.441  5061.83  101.850  5546.34  156.971  1209.02   12.172  1265.06   17.928 -56.03931 21.66943 
1 1 1    2   40    5 o  572.815   5.3231  1135.64   21.104  1100.01   29.217  1174.50   30.515  563.719   7.4886  582.490   7.5692 -18.77148 10.64767 
1 1 1    2   40    6 o  758.747   6.1235  1992.67   32.157  1935.79   44.291  2056.07   46.763  747.763   8.5581  770.635   8.7674 -22.87280 12.25190 
1 1 1    2   40    7 o  530.406   5.1505  973.735   18.908  958.766   26.322  989.691   27.177  526.269   7.2267  534.686   7.3439 -8.416870 10.30327 
1 1 1    2   40    8 o  733.100   6.9876  1860.55   35.454  1815.47   41.852  1975.12   66.722  724.105   8.3510  754.993   12.769 -30.88806 15.25717 
1 1 1    2   40    9 o  242.230   4.7917  203.097   8.0334  190.428   10.799  218.792   12.020  234.528   6.6532  251.384   6.9087 -16.85587 9.591374 
1 1 1    2   40   10 o   71.939   12.441   18.460   5.9702   8.7707   16.685   19.883   6.3935   65.101   25.486   74.667   12.835 -9.565651 28.53511 
1 1 1    2   40   11 f  418.051   7.6341  605.439   22.088  575.610   30.564  638.049   31.957  407.400   10.840  428.934   10.765 -21.53387 15.27668 
1 1 1    2   40   12 o  431.339   7.5020  644.709   22.396  665.854   32.620  625.854   30.804  438.046   10.759  424.715   10.479 13.33127 15.01934 
1 1 1    2   40   13 o  275.372   8.1014  262.934   15.440  276.780   22.632  250.878   21.119  282.238   11.586  268.729   11.355 13.50949 16.22223 
1 1 1    2   40   14 f  469.197   7.5822  763.489   24.622  779.024   35.617  749.268   34.076  473.404   10.870  464.325   10.604 9.079071 15.18559 
1 1 1    2   40   15 o  143.968   11.644   72.650   11.503   59.268   15.613   88.537   17.012  128.692   18.024  158.271   15.739 -29.57959 23.92869 
1 1 1    2   40   16 o  223.173   9.3272  173.243   14.407  149.805   19.322  202.585   21.619  206.503   13.595  240.404   13.042 -33.90129 18.83964 
1 1 1    2   40   17 o  152.500   13.036   82.054   13.627   98.634   18.542   62.585   20.093  166.460   16.304  130.214   23.143 36.24634 28.30937 
1 1 1    2   40   18 o  119.130   23.022   53.073   18.295   0.0000   0.0000   53.073   18.295  ?   ?   119.130   23.022 0.000000 23.02206 
1 1 1    2   42    0 o  1295.75   10.595  5813.16   95.014  5575.61  157.666  5948.63  119.062  1268.40   17.960  1310.59   13.126 -42.18652 22.24521 
1 1 1    2   42    1 o  887.120   6.8192  2723.98   41.869  2631.53   57.330  2829.64   61.291  871.849   9.5010  904.060   9.7954 -32.21094 13.64617 
1 1 1    2   42    2 o  1258.20   8.9464  5480.35   77.907  5302.57  106.452  5685.39  114.321  1237.40   12.430  1281.25   12.892 -43.85364 17.90816 
1 1 1    2   42    3 o  1189.59   9.8391  4899.51   81.009  4764.53   96.379  5224.39  149.522  1172.96   11.872  1227.74   17.596 -54.78015 21.22679 
1 1 1    2   42    4 o  553.111   5.3025  1058.86   20.299  1089.82   29.056  1029.34   28.370  561.098   7.4820  545.304   7.5171 15.79382 10.60602 
1 1 1    2   42    5 o  585.709   5.4200  1187.37   21.972  1164.77   30.575  1211.51   31.595  580.058   7.6158  591.578   7.7167 -11.51984 10.84195 
1 1 1    2   42    6 f  973.019   10.305  3278.70   69.398   0.0000   0.0000  3278.70   69.398  ?   ?   973.019   10.305 0.000000 10.30500 
1 1 1    2   42    7 f  760.451   6.1708  2001.80   32.478  1891.51   43.606  2139.20   48.672  739.104   8.5245  785.986   8.9472 -46.88177 12.35797 
1 1 1    2   42    8 o  131.789   7.4880   60.332   6.8018   70.861   8.6414   43.185   11.028  142.773   8.7877  110.618   14.773 32.15508 17.18911 
1 1 1    2   42    9 o  639.679   5.5619  1416.59   24.624  1305.21   32.391  1569.09   37.903  613.910   7.6234  673.079   8.1363 -59.16907 11.14968 
1 1 1    2   42   10 o  344.108   4.5367  409.911   10.805  411.155   14.926  408.543   15.661  344.575   6.2585  343.467   6.5880 1.108612 9.086880 
1 1 1    2   42   11 o   78.217   21.451   22.055   11.961   30.415   16.881   13.629   16.949   91.772   25.606   70.520   26.135 21.25114 36.58813 
1 1 1    2   42   12 o  246.188   12.121  210.585   20.653   0.0000   0.0000  210.585   20.653  ?   ?   246.188   12.121 0.000000 12.12108 
1 1 1    2   42   13 o  178.117   10.056  110.516   12.346  115.561   17.963  106.000   16.997  181.535   14.416  173.842   14.252 7.692764 20.27115 
1 1 1    2   42   14 o   80.831   19.616   23.883   10.862   6.2488   16.153   38.439   14.676   61.221   24.707  102.575   21.367 -41.35358 32.66460 
1 1 1    2   42   15 o   79.194   25.193   22.151   15.539   22.151   15.539   0.0000   0.0000   79.194   25.193  ?   ?  0.000000 25.19323 
1 1 1    2   42   16 o   93.957   18.957   32.322   11.903   11.741   15.453   62.341   18.663   65.712   24.831  130.749   21.362 -65.03656 32.75541 
1 1 1    2   42   17 o  128.459   21.923   60.780   18.791   0.0000   0.0000   60.780   18.791  ?   ?   128.459   21.923 0.000000 21.92253 
1 1 1    2   44    0 o  891.641   6.8750  2751.94   42.427  2652.26   57.980  2866.82   62.248  875.239   9.5715  909.938   9.8840 -34.69891 13.75888 
1 1 1    2   44    1 o  192.131   9.7953  128.144   12.982   0.0000   0.0000  128.144   12.982  ?   ?   192.131   9.7953 0.000000 9.795259 
1 1 1    2   44    2 o  453.339   5.1425  711.307   16.135  695.222   22.325  728.898   23.347  448.151   7.1977  458.874   7.3511 -10.72308 10.28812 
1 1 1    2   44    3 o  1201.83   8.6185  5000.67   71.689  4856.57   98.298  5164.39  104.780  1184.14   11.994  1221.06   12.398 -36.91504 17.25035 
1 1 1    2   44    4 o  1264.68   8.9954  5537.78   78.737  5318.24  106.641  5800.90  116.745  1239.06   12.435  1294.01   13.035 -54.94067 18.01544 
1 1 1    2   44    5 o  885.842   7.8398  2716.76   48.066  2640.49   79.885  2760.04   60.178  872.966   13.222  892.764   9.7392 -19.79858 16.42158 
1 1 1    2   44    6 o  914.807   8.0248  2897.58   50.809  2729.76   81.980  3002.25   64.743  887.505   13.346  931.044   10.047 -43.53894 16.70541 
1 1 1    2   44    7 o  159.402   9.6219   88.330   10.566   68.780   20.010   95.888   12.441  139.057   21.483  166.006   10.889 -26.94901 24.08506 
1 1 1    2   44    8 o  365.688   4.8868  462.912   12.368  464.988   16.961  460.553   18.076  366.459   6.6872  364.692   7.1613 1.766907 9.798040 
1 1 1    2   44    9 o  583.853   6.2556  1180.40   25.278  1145.85   29.491  1276.10   49.079  575.170   7.4082  606.578   11.690 -31.40729 13.84006 
1 1 1    2   44   10 o  329.936   4.6151  376.875   10.539  384.710   14.602  368.356   15.226  333.283   6.3301  326.105   6.7461 7.178772 9.250942 
1 1 1    2   44   11 o   65.750   24.919   10.937   15.591   0.0000   0.0000   10.937   15.591  ?   ?    65.750   24.919 0.000000 24.91880 
1 1 1    2   44   12 o  360.431   7.5855  450.382   18.923  470.439   27.782  433.024   25.845  368.014   10.907  353.116   10.575 14.89780 15.19207 
1 1 1    2   44   13 f  164.940   11.251   95.041   12.767  101.268   18.102   88.878   18.008  169.571   15.599  158.565   16.658 11.00639 22.82139 
1 1 1    2   44   14 o   41.772   18.568  -3.8038   10.768   9.3122   15.541 -15.9122   14.932   63.448   24.663   42.135   19.841 21.31341 31.65358 
1 1 1    2   44   15 o  212.061   9.2740  156.404   13.612  152.732   18.758  160.488   19.782  208.649   13.055  213.817   13.436 -5.167389 18.73392 
1 1 1    2   44   16 o  238.227   9.3953  197.639   15.491  195.024   21.119  200.683   22.792  235.625   13.001  238.792   13.850 -3.167038 18.99571 
1 1 1    2   44   17 o   50.573   20.644   3.9163   11.427  -1.8063   15.348   11.034   17.117   51.927   22.655   66.355   25.858 -14.42720 34.37912 
1 1 1    2   46    0 o  207.409   6.6324  148.911   9.5208  132.146   12.838  169.398   14.193  195.357   9.4950  221.187   9.2709 -25.83090 13.27048 
1 1 1    2   46    1 o  213.106   6.4782  157.202   9.5549  136.644   12.960  181.681   14.142  198.653   9.4263  229.070   8.9202 -30.41664 12.97785 
1 1 1    2   46    2 o  506.491   6.0270  887.968   21.128  864.408   25.503  939.512   37.722  499.696   7.3741  520.855   10.464 -21.15869 12.80136 
1 1 1    2   46    3 o  305.519   5.3881  323.083   11.393  312.928   15.595  334.706   16.685  300.650   7.4946  310.931   7.7533 -10.28162 10.78348 
1 1 1    2   46    4 o  635.948   6.5899  1400.03   29.005  1366.48   34.559  1480.00   53.350  628.232   7.9482  653.612   11.793 -25.38074 14.22178 
1 1 1    2   46    5 o  265.569   5.4872  244.127   10.086  232.373   13.787  257.659   14.793  259.063   7.6893  272.792   7.8351 -13.72855 10.97788 
1 1 1    2   46    6 o  373.206   5.6431  482.159   14.576  461.289   17.852  523.903   25.247  365.005   7.0666  388.912   9.3797 -23.90625 11.74376 
1 1 1    2   46    7 f  543.468   7.9943  1022.95   30.070  985.854   41.396  1064.39   43.752  533.309   11.215  554.129   11.408 -20.81995 15.99752 
1 1 1    2   46    8 o  619.487   6.2617  1328.88   26.847  1257.36   31.801  1506.34   50.091  602.493   7.6262  659.122   10.980 -56.62823 13.36895 
1 1 1    2   46    9 o  229.831   5.2288  182.896   8.3175  190.667   11.067  172.810   12.608  234.618   6.8155  223.317   8.1575 11.30144 10.62993 
1 1 1    2   46   10 o  333.672   4.6312  385.489   10.695  355.423   14.334  423.256   16.065  320.315   6.4656  349.538   6.6405 -29.22287 9.268217 
1 1 1    2   46   11 o  224.523   4.5645  174.557   7.0930  182.420   9.6168  165.178   10.504  229.470   6.0552  218.319   6.9515 11.15137 9.218923 
1 1 1    2   46   12 o  234.853   8.9919  191.428   14.616  205.512   20.678  177.366   20.662  242.718   12.350  225.287   13.310 17.43092 18.15733 
1 1 1    2   46   13 o  188.971   9.9126  124.447   12.919  134.439   18.804  115.512   17.781  195.780   13.969  181.344   14.282 14.43646 19.97788 
1 1 1    2   46   14 o  298.153   7.9956  308.678   16.499  324.000   23.529  293.854   23.143  304.974   11.147  290.375   11.516 14.59866 16.02697 
1 1 1    2   46   15 o  240.853   9.1852  201.847   15.312  169.317   20.973  238.976   22.406  219.404   13.883  261.488   12.380 -42.08420 18.60120 
1 1 1    2   46   16 o   62.333   25.454   6.3610   17.380   0.0000   0.0000   6.3610   17.380  ?   ?    62.333   25.454 0.000000 25.45351 
1 1 1    2   48    0 o  543.807   5.4166  1023.62   20.387  973.663   27.699  1082.67   30.115  530.313   7.5467  559.203   7.7809 -28.88940 10.83957 
1 1 1    2   48    1 o  500.115   6.0683  865.795   21.004  860.962   25.660  875.610   36.568  498.680   7.4346  502.792   10.508 -4.112335 12.87231 
1 1 1    2   48    2 o  369.290   6.1172  472.084   15.635  449.463   26.763  483.804   19.264  360.216   10.735  373.818   7.4458 -13.60159 13.06420 
1 1 1    2   48    3 o  466.727   5.2143  754.015   16.844  730.564   23.358  779.421   24.312  459.356   7.3469  474.466   7.4036 -15.10959 10.43019 
1 1 1    2   48    4 o  692.660   6.7880  1661.07   32.542  1585.85   53.404  1705.49   41.041  676.509   11.406  701.771   8.4498 -25.26215 14.19479 
1 1 1    2   48    5 o  579.867   5.4697  1164.01   21.952  1178.25   31.073  1149.81   31.016  583.305   7.6968  576.218   7.7771 7.087280 10.94183 
1 1 1    2   48    6 o  138.490   8.2847   66.672   7.9045   54.764   10.770   80.578   11.638  125.029   12.618  152.057   11.136 -27.02843 16.82952 
1 1 1    2   48    7 o  268.043   5.8351  248.772   10.825  245.746   13.469  254.293   18.193  266.364   7.3060  270.865   9.7043 -4.500244 12.14709 
1 1 1    2   48    8 o  111.520   12.289   43.688   9.3274   13.171   16.986   56.862   11.161   70.094   26.126  127.336   12.839 -57.24207 29.11057 
1 1 1    2   48    9 o  152.064   6.6025   80.104   6.9488   75.484   8.8183   87.672   11.286  147.303   8.6881  158.632   10.336 -11.32912 13.50278 
1 1 1    2   48   10 o  192.228   7.0941  128.057   9.4382  123.854   10.623  143.805   20.562  189.004   8.1211  202.692   14.759 -13.68817 16.84537 
1 1 1    2   48   11 o  216.086   4.7829  161.712   7.1531  140.467   9.1812  194.525   11.410  201.322   6.5892  236.894   6.9594 -35.57172 9.583848 
1 1 1    2   48   12 o  157.331   11.600   86.594   12.542   79.073   18.221   93.366   17.291  149.130   18.019  162.730   15.541 -13.59996 23.79513 
1 1 1    2   48   13 o  278.845   11.628  270.878   22.441  270.878   22.441   0.0000   0.0000  278.845   11.628  ?   ?  0.000000 11.62770 
1 1 1    2   48   14 o  251.215   8.8164  219.407   15.329  218.439   21.338  220.439   22.036  250.108   12.327  250.862   12.733 -0.7540588 17.72254 
1 1 1    2   48   15 o  134.856   14.622   64.618   13.429   56.634   19.119   72.390   18.865  123.744   23.176  141.385   19.823 -17.64081 30.49716 
1 1 1    2   48   16 o   44.068   19.413  -2.6404   11.515 -28.2927   16.824   19.971   15.795   39.576   19.254   75.561   25.480 -35.98557 31.93616 
1 1 1    2   50    0 o  208.035   6.8453  149.841   9.8561  159.538   13.416  138.469   14.528  214.622   9.0314  199.640   10.552 14.98230 13.88918 
1 1 1    2   50    1 o  436.361   5.2712  659.122   15.920  666.637   22.426  651.487   22.602  438.779   7.3846  433.760   7.5288 5.019409 10.54588 
1 1 1    2   50    2 o  456.547   5.2426  721.524   16.566  708.869   23.173  734.750   23.690  452.457   7.4000  460.641   7.4308 -8.184448 10.48698 
1 1 1    2   50    3 o  290.500   6.2585  292.175   12.583  275.463   20.527  302.235   15.927  281.948   10.519  295.420   7.7894 -13.47202 13.08916 
1 1 1    2   50    4 o  544.768   5.3868  1027.40   20.310  1030.48   28.612  1024.27   28.836  545.481   7.5786  543.828   7.6611 1.652649 10.77628 
1 1 1    2   50    5 o   72.676   16.359   19.080   8.0299   44.411   11.001  -9.8027   11.747  112.179   14.510   39.468   18.253 72.71082 23.31728 
1 1 1    2   50    6 o  255.679   5.6472  226.352   9.9932  232.450   13.692  219.402   14.618  259.040   7.6373  251.637   8.3934 7.402725 11.34799 
1 1 1    2   50    7 o   71.603   14.619   18.467   6.9997   25.427   9.2825   9.2919   10.657   84.040   16.548   57.128   20.797 26.91196 26.57732 
1 1 1    2   50    8 o  409.633   5.0664  581.039   14.364  548.184   19.427  620.660   21.334  397.768   7.0566  423.230   7.2830 -25.46198 10.14091 
1 1 1    2   50    9 o  418.371   5.4944  606.233   15.910  570.732   24.383  632.553   20.995  405.677   8.6842  427.234   7.1001 -21.55728 11.21729 
1 1 1    2   50   10 o  249.374   5.0375  215.386   8.6944  203.395   11.396  232.083   13.448  242.250   6.7971  258.727   7.5103 -16.47684 10.12942 
1 1 1    2   50   11 o   49.104   13.448   8.6682   4.7047   7.7740   5.6651   10.656   8.4456   47.687   15.216   56.404   18.623 -8.716892 24.04902 
1 1 1    2   50   12 o   63.924   22.340   12.979   12.173   22.678   16.928   2.5961   17.516   80.818   26.351   59.811   25.088 21.00728 36.38369 
1 1 1    2   50   13 o   43.017   19.012  -3.2382   11.133   6.6732   16.871 -10.8829   14.817   62.404   25.227   44.818   20.647 17.58623 32.59901 
1 1 1    2   50   14 o   84.386   20.306   26.301   11.716   30.473   16.140   21.654   17.033   90.521   24.956   79.053   26.460 11.46765 36.37277 
1 1 1    2   50   15 o  132.429   13.862   62.277   12.517   53.707   17.814   70.634   17.592  120.487   22.180  139.775   18.650 -19.28824 28.97867 
1 1 1    2   52    0 o  528.390   6.2095  966.698   22.709  970.605   27.614  958.537   39.912  529.389   7.5366  525.854   10.966 3.534973 13.30645 
1 1 1    2   52    1 o  430.287   5.2968  640.969   15.774  641.213   22.086  640.714   22.538  430.287   7.4162  430.112   7.5709 0.1745300 10.59804 
1 1 1    2   52    2 o  451.658   5.2601  706.227   16.443  697.798   23.073  714.926   23.439  448.863   7.4270  454.337   7.4539 -5.474030 10.52237 
1 1 1    2   52    3 o  363.158   5.2831  456.594   13.279  455.334   18.732  457.866   18.826  362.576   7.4648  363.582   7.4814 -1.006195 10.56856 
1 1 1    2   52    4 o  217.113   6.4220  163.242   9.6501  151.301   13.106  177.382   14.262  208.947   9.0626  226.239   9.1082 -17.29170 12.84869 
1 1 1    2   52    5 o  221.660   7.2879  170.205   11.181  175.609   13.118  155.854   21.377  225.113   8.4195  211.270   14.711 13.84351 16.95018 
1 1 1    2   52    6 o   83.669   17.922   25.319   10.066   25.319   10.066   0.0000   0.0000   83.669   17.922  ?   ?  0.000000 17.92237 
1 1 1    2   52    7 f  251.010   5.5727  218.204   9.6812  218.155   13.252  218.260   14.178  250.896   7.6314  250.931   8.1634 -0.3439331E-01 11.17498 
1 1 1    2   52    8 o  296.021   7.0750  303.679   14.495  303.679   14.495   0.0000   0.0000  296.021   7.0750  ?   ?  0.000000 7.075027 
1 1 1    2   52    9 f  195.362   7.8195  132.344   10.573  118.781   20.427  137.308   12.357  183.772   16.227  198.928   8.9751 -15.15669 18.54377 
1 1 1    2   52   10 o   77.918   11.066   21.525   5.8001   22.538   7.2923   19.780   9.5693   79.292   13.789   73.702   18.723 5.589447 23.25221 
1 1 1    2   52   11 o  123.260   6.8633   52.851   5.8319   54.193   7.3448   50.562   9.5935  124.643   8.5661  119.944   11.705 4.698387 14.50504 
1 1 1    2   52   12 o  109.070   8.9306   41.616   6.6825   72.878   17.796   36.484   7.2101  142.712   18.449  101.868   10.371 40.84381 21.16436 
1 1 1    2   52   13 o  166.145   11.977   96.875   13.680  107.171   19.905   87.659   18.833  173.685   16.767  156.687   17.675 16.99768 24.36272 
1 1 1    2   52   14 o  198.345   13.671  138.683   18.652   0.0000   0.0000  138.683   18.652  ?   ?   198.345   13.671 0.000000 13.67077 
1 1 1    2   52   15 o  107.162   17.121   41.754   12.271   26.956   17.863   54.976   16.885   85.405   26.995  122.120   20.718 -36.71539 34.02901 
1 1 1    2   54    0 o  120.250   10.441   50.516   8.6035   59.601   11.798   40.195   12.574  130.360   13.260  106.061   17.757 24.29973 22.16196 
1 1 1    2   54    1 o  408.973   5.2708  579.105   14.919  583.407   20.959  574.687   21.242  410.388   7.3791  407.301   7.5352 3.087219 10.54654 
1 1 1    2   54    2 o  362.078   5.3271  453.928   13.350  451.246   18.743  456.689   19.019  360.911   7.5035  363.078   7.5684 -2.166595 10.65751 
1 1 1    2   54    3 o  183.740   7.1186  116.949   9.0526  121.386   12.823  112.541   12.781  186.839   9.9525  179.850   10.311 6.989059 14.33068 
1 1 1    2   54    4 o  417.958   6.2068  605.028   17.955  568.781   31.180  623.010   21.961  404.872   11.127  424.044   7.4829 -19.17197 13.40916 
1 1 1    2   54    5 o  176.112   8.0577  107.496   9.8215   92.382   11.885  140.049   17.442  162.829   10.604  200.399   12.640 -37.57005 16.49904 
1 1 1    2   54    6 o  296.336   5.3770  304.120   11.028  312.186   15.392  295.613   15.808  300.137   7.4098  292.038   7.8210 8.098907 10.77371 
1 1 1    2   54    7 o  195.750   6.3756  132.761   8.6378  139.561   11.737  124.729   12.757  200.608   8.4537  189.332   9.7689 11.27632 12.91886 
1 1 1    2   54    8 o  275.027   5.4733  262.020   10.418  261.659   14.043  262.462   15.538  274.724   7.3855  275.090   8.1610 -0.3660278 11.00675 
1 1 1    2   54    9 o  317.354   5.5789  348.943   12.254  326.195   18.292  367.463   16.504  306.581   8.6204  325.526   7.3255 -18.94455 11.31261 
1 1 1    2   54   10 o   36.965   14.847   2.2282   5.8031   4.8264   7.1441  -2.8112   9.9495   44.269   16.846   40.867   18.022 3.401608 24.66979 
1 1 1    2   54   11 o  167.472   7.7167   97.357   8.9444   97.357   8.9444   0.0000   0.0000  167.472   7.7167  ?   ?  0.000000 7.716716 
1 1 1    2   54   12 o   99.497   7.3605   34.557   5.0327   39.976   6.3073   25.060   8.3493  106.900   8.5976   83.302   15.035 23.59875 17.31963 
1 1 1    2   54   13 o   94.978   23.289   33.654   15.192   0.0000   0.0000   33.654   15.192  ?   ?    94.978   23.289 0.000000 23.28879 
1 1 1    2   54   14 o   63.691   22.108   13.411   11.911   10.761   17.354   15.771   16.378   66.438   25.996   70.909   25.787 -4.471474 36.61634 
1 1 1    2   56    0 o  267.096   5.8731  247.068   10.857  246.939   15.049  247.209   15.678  266.930   8.1459  267.060   8.4823 -0.1295166 11.76032 
1 1 1    2   56    1 o  387.665   6.0789  520.504   16.310  510.732   27.099  526.055   20.424  383.716   10.204  389.636   7.5735 -5.920013 12.70736 
1 1 1    2   56    2 o   53.939   17.977   9.5774   7.8627  -5.5538   10.644   27.752   11.665   40.149   18.105   87.446   19.742 -47.29686 26.78674 
1 1 1    2   56    3 o  274.062   5.7814  260.137   10.966  254.134   15.004  267.020   16.068  270.780   8.0060  277.539   8.3647 -6.759644 11.57859 
1 1 1    2   56    4 o  253.911   6.0259  223.318   10.590  232.731   14.736  213.266   15.228  259.101   8.2173  247.993   8.8722 11.10817 12.09294 
1 1 1    2   56    5 o   55.844   17.626   10.732   7.6176   3.6244   10.356   19.112   11.245   48.909   19.767   73.056   21.074 -24.14740 28.89387 
1 1 1    2   56    6 o  279.858   5.4681  271.287   10.591  289.659   14.915  252.600   15.042  289.063   7.4553  269.900   8.0525 19.16299 10.97376 
1 1 1    2   56    7 o  417.847   7.1851  605.288   20.779  595.122   27.021  620.000   32.505  414.055   9.4289  422.366   11.120 -8.311005 14.57912 
1 1 1    2   56    8 o  336.784   5.1819  392.922   12.079  399.171   16.727  386.115   17.460  339.292   7.1232  333.656   7.5606 5.636658 10.38769 
1 1 1    2   56    9 o  193.867   6.8248  130.334   9.1574  134.308   11.194  122.293   15.924  196.709   8.2219  186.948   12.377 9.761002 14.85882 
1 1 1    2   56   10 o  225.946   8.4216  177.308   13.170  151.756   21.661  192.293   16.588  207.657   15.177  235.103   10.194 -27.44537 18.28255 
1 1 1    2   56   11 o   91.647   9.6332   29.541   6.0189   35.456   7.7706   20.671   9.5162  100.206   11.408   75.075   18.447 25.13039 21.68889 
1 1 1    2   56   12 o  178.401   5.5368  110.371   6.8366  127.353   9.2812   90.226   10.108  191.515   7.0020  160.758   9.1227 30.75693 11.50007 
1 1 1    2   56   13 o  162.009   12.419   92.491   13.819  113.561   22.489   79.707   17.517  177.789   18.549  149.029   17.305 28.75932 25.36804 
1 1 1    2   58    0 o  271.026   6.7207  254.509   12.607  243.561   21.104  260.583   15.720  264.817   11.514  274.153   8.2846 -9.336273 14.18504 
1 1 1    2   58    1 o  536.061   5.4650  995.250   20.276  980.745   28.342  1010.46   29.020  531.925   7.6983  539.914   7.7659 -7.989441 10.93493 
1 1 1    2   58    2 o  301.337   6.4625  314.605   13.478  308.754   16.061  328.537   24.783  298.443   7.7755  307.529   11.644 -9.085938 14.00136 
1 1 1    2   58    3 o  336.035   5.4418  391.108   12.656  418.925   17.821  362.799   17.977  347.650   7.4063  323.479   8.0298 24.17139 10.92388 
1 1 1    2   58    4 o   69.279   16.640   17.421   7.8787   26.487   10.619   6.3197   11.751   85.416   18.498   54.662   21.391 30.75470 28.27996 
1 1 1    2   58    5 o  349.015   5.3461  421.944   12.914  441.597   18.643  403.814   17.906  356.880   7.5476  341.268   7.5809 15.61151 10.69753 
1 1 1    2   58    7 o  128.440   8.9430   57.550   7.9003   55.226   10.818   60.205   11.565  125.295   12.648  130.828   12.942 -5.532951 18.09586 
1 1 1    2   58    8 o  149.458   7.7731   77.722   8.0128   79.945   10.737   74.926   12.039  151.279   10.316  146.182   12.005 5.097290 15.82831 
1 1 1    2   58    9 o  217.719   5.9631  164.337   8.9855  171.436   12.085  155.559   13.438  222.223   7.8571  211.560   9.1774 10.66263 12.08135 
1 1 1    2   58   10 o   83.058   12.354   24.598   6.8854   24.494   8.8008   24.762   11.055   82.150   16.054   82.062   19.712 0.8835602E-01 25.42221 
1 1 1    2   58   11 o  229.690   5.4038  182.929   8.5905  203.688   12.012  161.198   12.290  242.193   7.1660  215.336   8.2464 26.85686 10.92501 
1 1 1    2   58   12 o  131.582   9.0054   60.575   8.1518   61.902   9.2271   55.854   17.400  132.836   10.112  123.331   21.145 9.505272 23.43907 
1 1 1    2   60    0 o  210.628   7.6870  153.821   11.206  127.415   19.044  167.807   13.859  190.682   14.540  219.909   9.1059 -29.22696 17.15591 
1 1 1    2   60    1 o  122.210   10.277   52.228   8.6121   45.653   12.054   59.082   12.308  113.329   15.798  129.514   13.951 -16.18410 21.07620 
1 1 1    2   60    2 o  200.797   8.0955  139.837   11.251  188.927   20.201  117.763   13.546  232.697   12.590  183.810   10.694 48.88745 16.51870 
1 1 1    2   60    3 o  113.910   12.306   45.659   9.5477   51.955   11.584   32.322   16.861  121.313   14.057   93.997   25.340 27.31626 28.97805 
1 1 1    2   60    4 o  153.502   8.1915   81.976   8.6713   76.837   12.011   87.570   12.532  148.161   11.811  158.273   11.519 -10.11195 16.49821 
1 1 1    2   60    5 o  133.445   9.0494   62.107   8.3085   63.350   11.618   60.805   11.887  134.290   12.649  131.445   13.246 2.845184 18.31568 
1 1 1    2   60    6 o  140.017   10.311   68.520   9.9216   90.195   19.091   60.499   11.613  159.450   17.592  131.119   12.967 28.33144 21.85436 
1 1 1    2   60    7 o  187.981   6.7582  122.551   8.7927  121.631   12.045  123.601   12.865  187.093   9.3020  188.293   9.9064 -1.200516 13.58915 
1 1 1    2   60    8 o  104.727   12.105   38.746   8.6124   40.948   9.8027   31.293   18.032  107.448   13.478   92.281   26.707 15.16725 29.91494 
1 1 1    2   60    9 o  158.790   8.2420   87.839   9.0269   79.143   10.832  107.610   16.332  150.384   10.472  174.875   13.601 -24.49155 17.16543 
1 1 1    2   60   10 o  213.837   6.0015  158.620   8.8821  156.508   11.796  161.386   13.498  212.207   8.0315  215.363   9.0555 -3.155518 12.10407 
1 1 1    2   60   11 o  110.900   9.5522   43.172   7.2603   51.122   9.9998   34.310   10.558  120.258   12.182   97.353   16.242 22.90531 20.30299 
1 1 1    2   60   12 o   45.604   15.500   6.8458   5.8458   1.4238   7.7411   14.041   8.9174   40.202   16.756   62.394   18.968 -22.19221 25.30897 
1 1 1    2   62    0 o  192.410   6.9266  128.353   9.2241  134.466   13.059  122.265   13.031  196.771   9.5887  187.328   10.088 9.443359 13.91802 
1 1 1    2   62    1 o  206.471   7.9014  147.884   11.291  166.683   20.329  139.497   13.578  218.280   13.523  200.400   9.7896 17.87988 16.69434 
1 1 1    2   62    2 o  298.989   7.8427  310.116   16.229  310.116   16.229   0.0000   0.0000  298.989   7.8427  ?   ?  0.000000 7.842655 
1 1 1    2   62    3 o  348.631   5.3229  421.103   12.844  439.539   18.275  403.108   18.055  355.983   7.4173  340.887   7.6526 15.09665 10.65729 
1 1 1    2   62    4 o  164.050   7.5917   93.367   8.6197   93.085   11.938   93.673   12.459  163.266   10.623  163.721   11.060 -0.4552460 15.33494 
1 1 1    2   62    5 o  116.775   11.306   47.907   9.0234   47.659   14.335   48.071   11.613  115.027   18.645  116.372   14.749 -1.345032 23.77304 
1 1 1    2   62    6 o  194.581   6.9359  131.342   9.3407  142.963   13.314  120.078   13.108  202.794   9.4860  185.507   10.249 17.28680 13.96511 
1 1 1    2   62    7 o  103.155   11.207   37.506   7.8726   37.906   10.978   37.082   11.296  102.784   15.948  101.477   16.662 1.306610 23.06464 
1 1 1    2   62    8 o   52.729   18.251   8.9121   8.1148   13.887   9.9966  -0.6995   13.895   63.162   20.219   50.695   21.838 12.46783 29.76076 
1 1 1    2   62    9 o  255.574   5.7599  226.546   10.188  214.285   13.870  240.916   15.015  248.292   8.0713  263.244   8.2412 -14.95230 11.53526 
1 1 1    2   62   10 o   72.526   14.324   19.114   6.9349   17.425   8.9479   21.656   10.974   68.859   18.417   76.530   20.362 -7.670715 27.45529 
1 1 1    2   62   11 o  125.572   8.5353   55.180   7.3740   51.549   9.7475   60.039   11.275  120.725   11.817  130.174   12.676 -9.449432 17.32989 
1 1 1    2   64    1 o  138.241   9.1419   66.674   8.6974   76.174   12.113   56.564   12.496  147.402   11.977  126.426   14.546 20.97584 18.84220 
1 1 1    2   64    2 o  260.571   6.0088  235.362   10.837  240.866   15.327  229.861   15.323  263.387   8.4081  257.279   8.6051 6.107635 12.03099 
1 1 1    2   64    3 o  157.139   8.0474   85.943   8.7228   99.484   12.468   72.958   12.208  168.744   10.731  144.146   12.357 24.59825 16.36576 
1 1 1    2   64    4 o  158.943   10.558   88.302   11.548   96.683   15.151   76.683   17.839  165.879   13.309  146.617   17.955 19.26210 22.34979 
1 1 1    2   64    6 o  108.107   11.192   41.166   8.2526   57.167   11.661   25.109   11.681  127.170   13.453   82.576   20.528 44.59338 24.54283 
1 1 1    2   64    7 o   44.773   18.425   2.3859   9.1947  -0.6800   17.781   3.5049   10.742   57.229   24.678   49.146   20.033 8.082378 31.78582 
1 1 1    2   64    8 o  118.281   9.9115   49.084   8.0391   45.727   11.290   52.537   11.450  113.175   14.765  121.642   13.846 -8.467148 20.24206 
1 1 1    2   64    9 o   80.588   14.510   23.517   7.7954   26.889   10.087   18.514   12.284   85.612   17.610   71.734   22.344 13.87833 28.44930 
1 1 1    2   66    0 o  272.086   6.9760  256.855   13.137  261.854   22.828  254.381   16.063  274.019   12.037  270.593   8.5770 3.426239 14.78008 
1 1 1    2   66    1 o  178.041   7.7194  110.047   9.5122  120.093   13.333   99.633   13.575  185.458   10.430  168.662   11.701 16.79565 15.67485 
1 1 1    2   66    2 o  198.969   8.2329  137.509   11.337  142.342   20.098  135.253   13.731  201.141   14.535  196.890   10.110 4.251511 17.70521 
1 1 1    2   66    3 o  116.269   10.570   47.458   8.4125   51.090   11.925   43.861   11.869  119.914   14.675  110.698   15.953 9.216003 21.67583 
1 1 1    2   66    4 f  133.067   9.1902   61.872   8.4120   67.638   12.240   56.711   11.580  138.537   12.914  126.653   13.415 11.88412 18.62099 
1 1 1    2   66    5 o  167.393   7.7064   97.329   8.9283  114.667   12.579   79.726   12.675  181.177   10.071  150.586   12.268 30.59123 15.87217 
1 1 1    2   66    6 o   27.430   13.268 -12.4014   7.6977  -9.8256   10.701 -15.1631   11.081   36.727   17.133   34.257   16.403 2.469730 23.71925 
1 1 1    2   66    7 o  185.298   7.1725  119.275   9.1985  133.183   12.951  105.115   13.067  195.511   9.5706  173.173   10.959 22.33812 14.54994 
1 1 1    2   66    8 o  103.022   11.429   37.569   8.0118   36.930   11.230   38.232   11.434  100.900   16.662  102.703   16.655 -1.802971 23.55917 
1 1 1    2   68    0 o  171.443   11.672  103.041   13.767  103.041   13.767   0.0000   0.0000  171.443   11.672  ?   ?  0.000000 11.67171 
1 1 1    2   68    1 o  124.672   10.297   54.507   8.8055   62.380   12.404   46.510   12.502  132.803   13.692  113.885   16.328 18.91734 21.30910 
1 1 1    2   68    2 o  121.606   10.611   51.927   8.8416   46.985   12.637   56.666   12.375  114.434   16.426  126.341   14.410 -11.90739 21.85100 
1 1 1    2   68    3 o   56.741   20.017   10.127   9.7870   22.312   18.274   5.2256   11.589   80.664   27.405   52.647   21.040 28.01696 34.54988 
1 1 1    2   68    4 o  139.442   9.1710   67.969   8.8015   76.655   12.583   59.647   12.316  147.533   12.439  129.696   13.939 17.83650 18.68217 
1 1 1    2   68    5 o   68.324   16.788   17.135   7.8820   20.640   11.038   13.488   11.259   74.869   20.638   63.384   21.511 11.48510 29.81010 
1 1 1    2   68    6 o  176.402   8.3637  108.294   10.211  119.977   12.620   86.146   17.376  185.211   9.8810  155.286   16.416 29.92433 19.16071 
1 1 1    2   70    0 f   35.001   15.930  -5.0764   8.4719   10.932   12.080 -20.5706   11.884   60.566   22.128   33.246   16.176 27.31982 27.40986 
1 1 1    2   70    1 f  184.223   8.6328  118.097   11.007  141.366   19.406  107.061   13.365  200.165   14.098  174.745   11.108 25.41940 17.94842 
1 1 1    2   70    2 o  165.247   9.0340   95.362   10.293  102.927   17.688   91.489   12.657  170.337   15.162  161.408   11.403 8.929245 18.97160 
1 1 1    2   70    3 o  167.226   8.0397   97.269   9.3051  118.785   13.291   76.584   13.032  184.183   10.470  147.250   12.917 36.93265 16.62733 
1 1 1    2   70    4 o  105.089   11.990   39.159   8.5646   43.804   12.051   34.419   12.174  110.185   16.295   96.761   18.856 13.42329 24.92102 
1 1 1    3    1    0 o  3343.96   22.119 38718.53  511.922 38847.79  726.489 38591.05  721.471  3348.57   31.347  3337.50   31.234 11.07007 44.25103 
1 1 1    3    1    1 o  1786.33   12.049 11044.47  148.966 10986.82  209.425 11103.51  211.938  1781.51   16.985  1790.94   17.098 -9.431152 24.10055 
1 1 1    3    1    2 o  730.071   5.6006  1844.56   28.299  1842.13   39.984  1847.01   40.058  729.575   7.9184  730.541   7.9227 -0.9661255 11.20133 
1 1 1    3    1    3 o  628.815   5.0739  1368.38   22.082  1357.98   31.048  1379.03   31.413  626.410   7.1614  631.245   7.1901 -4.834900 10.14807 
1 1 1    3    1    4 f  305.483   3.7460  322.945   7.9202  305.651   10.960  341.844   11.458  297.188   5.3287  314.291   5.2673 -17.10361 7.492623 
1 1 1    3    1    5 o  1494.40   11.830  7730.00  122.360  7731.71  212.030  7729.14  149.826  1494.22   20.502  1494.23   14.487 -0.1086426E-01 25.10452 
1 1 1    3    1    6 o  1353.56   10.836  6341.86  101.515  6380.49  176.998  6322.93  123.923  1357.31   18.841  1351.45   13.249 5.862061 23.03313 
1 1 1    3    1    7 o  378.905   4.2080  496.867   11.035  506.069   15.741  487.974   15.475  382.383   5.9477  375.484   5.9548 6.898468 8.416349 
1 1 1    3    1    8 o  685.522   6.3896  1626.73   30.316  1652.10   37.588  1579.51   51.279  690.795   7.8618  675.307   10.971 15.48840 13.49745 
1 1 1    3    1    9 o  931.052   6.8991  3000.65   44.457  2992.04   62.706  3009.36   63.039  929.587   9.7463  932.271   9.7699 -2.684387 13.80006 
1 1 1    3    1   10 o  461.266   4.6268  736.359   14.771  758.102   21.199  715.842   20.593  468.005   6.5448  454.773   6.5424 13.23141 9.254043 
1 1 1    3    1   11 o  733.163   6.7715  1860.46   34.361  1868.45   42.268  1844.88   59.002  734.706   8.3123  729.969   11.679 4.737061 14.33468 
1 1 1    3    1   12 o  1043.76   7.6098  3770.87   54.973  3784.82   78.062  3757.14   77.428  1045.57   10.787  1041.74   10.739 3.829590 15.22142 
1 1 1    3    1   13 o  525.294   5.0705  955.013   18.434  975.412   26.424  935.672   25.730  530.838   7.1922  519.913   7.1505 10.92511 10.14183 
1 1 1    3    1   14 o  1434.62   10.001  7127.31   99.306  7124.39  140.387  7130.24  140.491  1433.82   14.147  1434.41   14.151 -0.5874023 20.00975 
1 1 1    3    1   15 o  208.854   6.0645  151.006   8.7663  151.852   12.345  150.145   12.451  209.401   8.5177  208.219   8.6398 1.182755 12.13251 
1 1 1    3    1   16 o  192.793   6.3181  128.709   8.4305  135.229   12.053  122.463   11.797  197.555   8.8148  187.992   9.0666 9.562302 12.64531 
1 1 1    3    1   17 o  284.881   6.0947  281.106   12.017  275.139   14.652  293.366   21.003  281.774   7.5131  290.770   10.437 -8.995758 12.85965 
1 1 1    3    1   18 o  363.175   5.8366  456.973   14.671  469.366   25.940  451.145   17.789  367.624   10.195  360.748   7.1249 6.875885 12.43797 
1 1 1    3    1   19 o  360.780   5.9305  451.176   14.808  445.951   25.734  453.762   18.106  358.078   10.384  361.668   7.2335 -3.589630 12.65495 
1 1 1    3    1   20 o   66.599   18.295   16.163   8.6921   25.268   10.663  -1.8722   15.007   82.927   18.987   51.662   22.473 31.26484 29.42050 
1 1 1    3    1   22 o   41.276   16.353   3.4676   6.9451   2.7343   9.9234   4.1716   9.7235   46.252   19.099   47.663   19.192 -1.411751 27.07606 
1 1 1    3    3    1 o  2322.90   15.494 18678.06  249.090 18565.34  349.824 18793.99  354.761  2315.55   21.828  2329.76   22.001 -14.20532 30.99244 
1 1 1    3    3    2 o  2657.41   17.653 24447.24  324.673 24404.86  458.132 24490.01  460.190  2654.59   24.935  2659.22   25.004 -4.621826 35.31238 
1 1 1    3    3    3 o  1422.16   9.7700  7000.02   96.166  6919.48  134.338  7084.66  137.724  1413.87   13.728  1430.64   13.909 -16.77124 19.54294 
1 1 1    3    3    4 o  626.144   7.1997  1356.84   31.201  1356.84   31.201   0.0000   0.0000  626.144   7.1997  ?   ?  0.000000 7.199668 
1 1 1    3    3    5 o  719.874   5.6214  1793.42   28.008  1762.68   39.029  1826.07   40.216  713.658   7.9016  726.377   7.9995 -12.71930 11.24405 
1 1 1    3    3    6 o   78.437   7.7613   21.502   4.1581   18.293   7.6515   22.847   4.9533   71.282   15.912   80.744   9.0176 -9.462196 18.28982 
1 1 1    3    3    7 o  586.762   5.0167  1191.57   20.373  1184.95   28.681  1198.31   28.945  585.098   7.0826  588.385   7.1077 -3.287537 10.03411 
1 1 1    3    3    8 o  312.528   4.1677  338.048   9.0150  338.915   12.787  337.190   12.712  312.909   5.9042  312.112   5.8848 0.7968750 8.336061 
1 1 1    3    3    9 o  178.089   5.5337  109.773   6.8207  113.931   8.3149  101.219   11.926  181.423   6.6220  170.673   10.141 10.75008 12.11178 
1 1 1    3    3   10 o  1070.03   7.7273  3963.21   57.227  3894.01   79.428  4037.91   82.523  1060.52   10.821  1079.92   11.041 -19.40625 15.45971 
1 1 1    3    3   11 f  1167.03   8.3155  4714.31   67.165  4751.32   95.733  4678.42   94.257  1171.46   11.807  1162.44   11.716 9.017090 16.63350 
1 1 1    3    3   12 o  615.698   5.3652  1311.99   22.863  1311.76   32.353  1312.23   32.313  615.608   7.5934  615.720   7.5826 -0.1116943 10.73100 
1 1 1    3    3   13 o  832.068   7.4518  2396.57   42.914  2461.95   75.837  2365.78   52.049  843.092   12.997  826.646   9.0974 16.44568 15.86426 
1 1 1    3    3   14 o  635.747   5.5646  1398.98   24.485  1403.70   34.747  1394.32   34.508  636.750   7.8844  634.618   7.8565 2.131714 11.13052 
1 1 1    3    3   15 o  552.790   6.1176  1057.87   23.406  1045.72   28.429  1083.42   41.236  549.557   7.4743  559.210   10.654 -9.653137 13.01453 
1 1 1    3    3   16 o  289.231   5.1838  289.620   10.377  287.181   14.478  292.197   14.881  287.950   7.2646  290.449   7.4025 -2.499329 10.37164 
1 1 1    3    3   17 o  153.724   7.3412   81.886   7.8106   82.046   10.947   81.720   11.147  153.424   10.370  153.096   10.585 0.3286285 14.81861 
1 1 1    3    3   18 o  404.279   5.0539  566.103   14.141  558.625   19.929  573.687   20.069  401.420   7.1731  406.800   7.1281 -5.380249 10.11252 
1 1 1    3    3   19 o  119.337   10.523   49.918   8.6024   63.707   14.610   42.600   10.643  133.945   16.081  109.507   14.391 24.43801 21.57975 
1 1 1    3    3   20 o  128.895   8.8153   58.039   7.8169   50.553   11.103   65.395   11.007  119.415   13.681  136.382   11.776 -16.96635 18.05154 
1 1 1    3    3   21 o   36.802   16.268  -2.3591   8.1553  -5.1279   10.126   2.7537   13.760   38.926   17.596   53.409   22.307 -14.48318 28.41166 
1 1 1    3    3   22 o  105.119   12.075   39.349   8.6255   45.948   10.408   24.878   15.412  113.313   13.540   81.470   24.970 31.84267 28.40426 
1 1 1    3    5    0 o  1541.82   10.513  8227.54  112.182  8406.01  162.323  8064.37  155.215  1558.34   15.050  1526.35   14.693 31.98669 21.03284 
1 1 1    3    5    1 o  1266.98   8.7946  5555.58   77.119  5516.90  108.243  5595.47  109.902  1262.51   12.388  1271.46   12.489 -8.956787 17.59057 
1 1 1    3    5    2 o  1587.06   12.478  8718.08  137.057  8756.16  168.599  8643.90  235.337  1590.45   15.316  1579.99   21.521 10.45410 26.41473 
1 1 1    3    5    3 o  460.203   4.8905  732.926   15.577  758.091   19.558  689.268   25.760  468.033   6.0376  446.273   8.3401 21.76035 10.29610 
1 1 1    3    5    4 o  3022.79   20.041 31638.52  419.278 31673.92  593.831 31603.33  592.071  3023.60   28.377  3020.23   28.324 3.364990 40.09357 
1 1 1    3    5    5 o  1875.40   17.911 12178.07  232.485   0.0000   0.0000 12178.07  232.485  ?   ?   1875.40   17.911 0.000000 17.91113 
1 1 1    3    5    6 o  443.726   4.9742  681.401   15.276  705.854   26.635  669.414   18.648  451.591   8.5217  439.798   6.1265 11.79199 10.49538 
1 1 1    3    5    7 o  704.407   5.5995  1717.35   27.299  1722.66   38.734  1712.11   38.481  705.442   7.9333  703.279   7.9056 2.162842 11.19982 
1 1 1    3    5    8 o  352.000   4.2113  428.833   10.260  447.371   14.779  411.588   14.254  359.505   5.9396  344.827   5.9726 14.67773 8.423198 
1 1 1    3    5    9 o  466.031   4.5915  751.669   14.810  767.582   21.186  736.462   20.710  470.910   6.5003  461.266   6.4873 9.644775 9.183622 
1 1 1    3    5   10 o  1533.72   10.551  8144.08  112.000  8282.33  161.253  8015.23  155.676  1546.31   15.067  1521.20   14.786 25.11194 21.11059 
1 1 1    3    5   11 o   91.187   8.4547   29.029   5.2752   24.088   7.5029   33.859   7.4184   82.312   13.648   98.269   11.102 -15.95638 17.59342 
1 1 1    3    5   12 o  167.519   5.8552   97.125   6.7886   92.376   9.6972  101.690   9.5067  163.131   8.6194  171.400   8.0138 -8.269028 11.76924 
1 1 1    3    5   13 o  473.901   5.6827  777.315   18.639  768.293   32.541  781.720   22.738  471.059   9.9811  475.222   6.9132 -4.163788 12.14149 
1 1 1    3    5   14 f  110.766   9.4209   42.792   7.1537   46.020   10.156   39.614   10.079  114.509   13.047  105.989   14.088 8.520485 19.20173 
1 1 1    3    5   15 o  821.902   6.4700  2338.70   36.805  2317.59   51.650  2360.48   52.459  818.010   9.1230  825.539   9.1813 -7.528687 12.94313 
1 1 1    3    5   16 o  452.043   5.7927  707.540   18.123  703.433   22.047  716.097   31.826  450.668   7.0684  454.507   10.117 -3.839386 12.34198 
1 1 1    3    5   17 o  504.784   5.1972  882.377   18.157  896.083   25.931  869.193   25.433  508.515   7.3678  500.830   7.3372 7.685089 10.39805 
1 1 1    3    5   19 o  198.299   7.2956  136.423   10.013  133.707   18.117  137.618   12.015  195.268   13.488  199.058   8.7208 -3.790253 16.06158 
1 1 1    3    5   20 o  186.388   6.6606  120.559   8.5923  124.733   12.354  116.648   11.958  189.322   9.4282  182.836   9.4825 6.485779 13.37196 
1 1 1    3    5   21 o  121.766   9.3526   51.979   7.8218   52.247   11.100   51.716   11.024  121.256   13.453  120.636   13.432 0.6195831 19.01006 
1 1 1    3    5   22 o   47.342   17.123   6.8016   7.2072   25.127   9.9859 -13.1233   10.413   82.207   18.046   33.683   16.065 48.52464 24.16078 
1 1 1    3    7    0 o  2335.33   15.579 18878.71  251.807 18886.89  356.350 18870.55  355.868  2335.49   22.046  2334.48   22.025 1.008545 31.16290 
1 1 1    3    7    1 o  671.904   5.2983  1562.34   24.639  1567.82   34.930  1556.92   34.759  673.068   7.4983  670.725   7.4877 2.342712 10.59676 
1 1 1    3    7    2 o  601.580   6.9723  1252.45   29.030  1252.45   29.030   0.0000   0.0000  601.580   6.9723  ?   ?  0.000000 6.972294 
1 1 1    3    7    3 o  2212.58   17.105 16948.01  261.941 16868.61  319.052 17112.20  458.796  2207.18   20.886  2222.37   29.828 -15.19287 36.41330 
1 1 1    3    7    4 o  2356.62   15.737 19225.99  256.678 19240.53  363.318 19211.51  362.679  2357.07   22.271  2355.30   22.248 1.776123 31.47990 
1 1 1    3    7    5 o  1883.84   17.980 12288.37  234.426 12400.00  334.395 12180.49  328.736  1891.81   25.539  1875.01   25.332 16.80164 35.97149 
1 1 1    3    7    6 o  1379.35   9.5426  6585.73   91.100  6567.78  128.491  6603.89  129.181  1377.30   13.479  1381.08   13.515 -3.779297 19.08756 
1 1 1    3    7    7 o  538.305   4.7871  1002.90   17.835  1025.24   25.693  982.122   24.777  544.234   6.8211  532.669   6.7208 11.56451 9.575847 
1 1 1    3    7    8 o  1243.20   8.7345  5351.42   75.154  5448.80  108.303  5260.98  104.374  1254.10   12.478  1232.32   12.237 21.77832 17.47703 
1 1 1    3    7    9 o  696.643   7.8522  1680.00   37.860  1684.39   53.542  1675.61   53.542  697.438   11.092  695.617   11.121 1.821472 15.70709 
1 1 1    3    7   10 f  1029.61   8.6576  3669.67   61.695  3696.38   75.996  3618.05  105.657  1033.27   10.627  1022.04   14.937 11.23468 18.33121 
1 1 1    3    7   11 o  791.225   6.1668  2166.73   33.770  2179.89   48.006  2153.84   47.515  793.570   8.7404  788.815   8.7032 4.755127 12.33450 
1 1 1    3    7   12 o  806.755   6.2939  2252.68   35.143  2287.09   50.454  2220.25   48.978  812.826   8.9686  800.865   8.8362 11.96198 12.59022 
1 1 1    3    7   13 o  1275.82   9.0115  5635.29   79.572  5716.96  114.257  5558.38  110.883  1284.73   12.850  1266.81   12.647 17.92627 18.02922 
1 1 1    3    7   14 o  770.696   6.2032  2056.06   33.088  2135.88   48.421  1986.14   45.321  785.395   8.9078  757.377   8.6459 28.01801 12.41370 
1 1 1    3    7   15 o  366.280   5.6579  464.432   14.343  469.927   17.811  454.293   24.193  368.408   6.9853  362.142   9.6523 6.265839 11.91477 
1 1 1    3    7   16 o   61.938   16.075   13.832   6.9507   16.342   9.7402   11.227   9.9218   67.804   19.630   59.206   20.193 8.598293 28.16167 
1 1 1    3    7   17 o  558.463   5.3478  1080.08   20.670  1106.14   29.751  1055.76   28.739  564.948   7.6089  551.941   7.5232 13.00726 10.70015 
1 1 1    3    7   18 o  357.311   5.0731  442.222   12.546  438.764   17.865  445.588   17.623  355.740   7.2557  358.509   7.1023 -2.769623 10.15324 
1 1 1    3    7   19 o   64.350   15.842   15.074   7.0085   21.505   10.047   8.9799   9.7808   76.674   19.024   55.143   19.947 21.53139 27.56423 
1 1 1    3    7   20 o  202.536   7.3208  142.443   10.262  156.683   18.177  135.780   12.433  211.372   12.480  197.559   9.0930 13.81316 15.44146 
1 1 1    3    7   21 o   80.043   15.796   23.385   8.4402   19.391   10.349   31.317   14.584   72.498   19.983   91.380   23.060 -18.88206 30.51352 
1 1 1    3    7   22 o   53.529   18.646   9.3974   8.4762   11.588   10.120   4.2478   15.515   58.850   20.381   57.088   23.752 1.762566 31.29748 
1 1 1    3    9    0 o  646.988   5.1855  1448.62   23.220  1420.68   32.321  1478.42   33.380  640.707   7.2888  653.597   7.3790 -12.89026 10.37188 
1 1 1    3    9    2 o  2466.23   16.438 21055.70  280.577 20810.00  391.479 21315.21  402.335  2451.37   23.074  2480.92   23.431 -29.55103 32.88520 
1 1 1    3    9    3 o  1873.76   25.324 12160.98  328.414   0.0000   0.0000 12160.98  328.414  ?   ?   1873.76   25.324 0.000000 25.32390 
1 1 1    3    9    4 o  1706.70   13.389 10082.94  158.156 10162.26  195.279  9931.71  269.627  1713.28   16.468  1693.39   23.005 19.89246 28.29228 
1 1 1    3    9    5 o  933.390   6.8314  3015.19   44.132  3048.39   63.066  2983.33   61.777  938.470   9.7094  928.404   9.6142 10.06653 13.66407 
1 1 1    3    9    6 o  423.765   4.2610  621.472   12.497  637.849   17.936  606.021   17.422  429.300   6.0366  418.452   6.0156 10.84790 8.522210 
1 1 1    3    9    7 o  650.419   5.3234  1464.22   23.964  1501.47   34.581  1429.81   33.239  658.583   7.5867  642.677   7.4727 15.90643 10.64885 
1 1 1    3    9    8 o  497.415   6.5764  856.481   22.640  876.585   33.465  839.512   30.744  503.133   9.6101  492.397   9.0214 10.73544 13.18100 
1 1 1    3    9    9 o  501.215   4.7299  869.450   16.408  871.074   23.264  867.843   23.145  501.655   6.7004  500.724   6.6787 0.9306335 9.460450 
1 1 1    3    9   10 o  892.846   6.7012  2759.16   41.410  2811.49   59.647  2710.47   57.535  901.191   9.5630  884.858   9.3947 16.33313 13.40568 
1 1 1    3    9   11 o  1138.76   11.507  4489.65   90.694  4540.00  129.027  4440.49  127.508  1144.86   16.284  1132.24   16.271 12.61560 23.01984 
1 1 1    3    9   12 o  284.091   4.6966  279.320   9.2345  276.373   13.134  282.201   12.987  282.575   6.7156  285.540   6.5713 -2.965240 9.395763 
1 1 1    3    9   13 o  331.262   4.8023  379.793   11.010  383.406   15.687  376.285   15.457  332.812   6.8102  329.707   6.7737 3.104645 9.605308 
1 1 1    3    9   14 o  467.742   4.9595  757.253   16.055  767.328   22.924  747.554   22.493  470.799   7.0353  464.694   6.9937 6.104675 9.920093 
1 1 1    3    9   15 o  646.944   5.6367  1448.89   25.239  1515.56   36.933  1390.47   34.570  661.540   8.0664  633.662   7.8825 27.87823 11.27836 
1 1 1    3    9   16 o  704.364   5.9183  1717.97   28.852  1771.71   41.846  1669.28   39.833  715.061   8.4555  694.101   8.2917 20.96021 11.84263 
1 1 1    3    9   17 o  215.287   8.0408  160.667   11.981  153.561   15.956  169.854   18.141  210.029   11.015  220.812   11.915 -10.78336 16.22598 
1 1 1    3    9   18 o  152.181   7.3271   80.302   7.7174   77.989   10.962   82.574   10.866  149.434   10.670  153.835   10.265 -4.400726 14.80564 
1 1 1    3    9   19 o   99.703   10.661   34.981   7.2427   39.734   10.277   30.291   10.209  105.666   14.430   91.551   16.728 14.11456 22.09167 
1 1 1    3    9   20 o  190.561   7.2559  126.098   9.5698  126.856   11.931  124.732   16.024  190.953   9.0278  188.522   12.349 2.431198 15.29711 
1 1 1    3    9   21 o   44.143   16.911   4.8061   7.2299  -3.8286   10.083   13.945   10.373   39.946   17.847   63.227   20.628 -23.28087 27.27691 
1 1 1    3   11    0 o  1699.59   11.525  9997.96  135.568  9813.26  187.861 10198.68  195.833  1683.68   16.121  1716.41   16.485 -32.73218 23.05756 
1 1 1    3   11    1 o  2221.67   14.864 17085.72  228.548 16886.19  318.899 17296.43  327.714  2208.34   20.865  2234.98   21.186 -26.64380 29.73496 
1 1 1    3   11    2 o  1292.02   10.389  5777.62   92.905  5429.27  150.742  5991.00  117.975  1252.29   17.392  1315.60   12.957 -63.31177 21.68769 
1 1 1    3   11    3 o  1963.09   15.273 13340.72  207.508 13375.08  254.870 13273.17  357.388  1965.44   18.736  1957.44   26.380 8.005859 32.35658 
1 1 1    3   11    4 o  1867.54   25.273 12082.93  326.671   0.0000   0.0000 12082.93  326.671  ?   ?   1867.54   25.273 0.000000 25.27337 
1 1 1    3   11    5 o  856.806   7.4169  2540.78   43.983  2523.70   53.336  2577.07   77.755  853.895   9.0248  862.791   13.021 -8.895325 15.84282 
1 1 1    3   11    6 o  1110.76   7.9063  4270.63   60.781  4306.62   86.679  4235.82   85.255  1115.29   11.229  1106.09   11.137 9.200317 15.81511 
1 1 1    3   11    7 o  1232.31   8.6584  5257.81   73.847  5351.29  106.315  5170.65  102.652  1242.90   12.359  1221.76   12.140 21.13574 17.32382 
1 1 1    3   11    8 o  869.581   7.5684  2617.76   45.550  2688.78   81.536  2585.54   54.919  880.948   13.373  864.137   9.1826 16.81140 16.22199 
1 1 1    3   11    9 o  333.022   5.0200  383.836   11.571  388.732   21.364  381.804   13.764  335.092   9.2118  332.131   5.9877 2.960693 10.98681 
1 1 1    3   11   10 o  539.094   5.6186  1005.84   20.964  1032.68   36.138  992.219   25.737  546.179   9.5600  535.415   6.9453 10.76392 11.81650 
1 1 1    3   11   11 o  140.122   6.0641   67.954   5.8810   61.482   8.1715   74.910   8.4706  132.972   8.9309  146.871   8.3676 -13.89984 12.23834 
1 1 1    3   11   12 o  469.319   4.7887  762.302   15.555  761.258   21.939  763.356   22.057  468.975   6.7593  469.620   6.7860 -0.6453552 9.577969 
1 1 1    3   11   13 o  1164.76   8.3400  4696.72   67.233  4760.59   96.428  4636.30   93.790  1172.40   11.884  1157.01   11.712 15.39246 16.68526 
1 1 1    3   11   14 o  902.690   7.8945  2821.23   49.322  2839.45   61.004  2786.83   83.811  905.485   9.7343  896.745   13.504 8.740173 16.64649 
1 1 1    3   11   15 o  306.940   5.8927  326.162   12.518  376.976   24.038  307.253   14.664  329.836   10.530  297.882   7.1125 31.95428 12.70702 
1 1 1    3   11   16 o  248.194   5.4707  213.292   9.3974  207.169   13.583  218.914   13.015  244.525   8.0260  251.381   7.4805 -6.855682 10.97155 
1 1 1    3   11   17 o   50.367   16.537   8.4671   6.6626   15.876   9.3663   0.8785   9.4795   66.673   19.234   43.836   18.425 22.83658 26.63520 
1 1 1    3   11   18 o  369.507   5.8337  473.100   14.919  459.341   17.859  504.878   27.142  363.983   7.0893  381.199   10.288 -17.21536 12.49373 
1 1 1    3   11   19 o  150.084   7.4363   78.169   7.7245   74.645   10.703   81.999   11.160  146.065   10.661  153.138   10.594 -7.073181 15.02948 
1 1 1    3   11   20 o   94.330   11.617   31.526   7.4241   31.327   10.529   31.723   10.469   92.870   17.008   93.518   16.792 -0.6481705 23.90084 
1 1 1    3   11   21 o   76.174   16.709   21.336   8.5669   21.302   16.195   21.349   10.095   77.578   25.797   75.884   19.205 1.693840 32.16056 
1 1 1    3   13    0 o  1147.34   9.3470  4555.97   74.223  4581.87   91.406  4505.85  127.173  1150.56   11.479  1140.87   16.106 9.685059 19.77768 
1 1 1    3   13    1 o  1050.14   7.5171  3816.59   54.636  3905.54   79.000  3735.04   75.642  1062.26   10.745  1038.82   10.521 23.44214 15.03823 
1 1 1    3   13    2 o  2608.05   17.359 23549.06  313.341 23305.31  437.931 23804.76  448.522  2593.96   24.393  2621.57   24.720 -27.61694 34.72873 
1 1 1    3   13    3 o  1706.59   16.390 10083.15  193.594   0.0000   0.0000 10083.15  193.594  ?   ?   1706.59   16.390 0.000000 16.39024 
1 1 1    3   13    4 o  1626.76   15.723  9162.31  177.022  9043.90  246.789  9287.80  254.064  1615.84   22.067  1637.45   22.418 -21.61877 31.45685 
1 1 1    3   13    5 o  959.044   9.9948  3183.79   66.342  3170.24   93.442  3197.56   94.207  956.869   14.110  960.981   14.164 -4.111694 19.99253 
1 1 1    3   13    6 o  1111.75   9.1758  4278.96   70.604  4346.17   87.634  4154.63  119.189  1120.33   11.302  1095.04   15.726 25.28442 19.36626 
1 1 1    3   13    7 o  745.295   6.6794  1922.84   34.454  1977.23   43.496  1831.22   56.449  755.698   8.3163  727.112   11.217 28.58563 13.96354 
1 1 1    3   13    8 o  564.934   4.9522  1104.60   19.363  1154.86   28.335  1060.57   26.522  577.600   7.0878  553.521   6.9230 24.07965 9.907798 
1 1 1    3   13    9 o  511.171   4.7667  904.321   16.864  967.769   24.996  851.312   22.848  528.771   6.8301  495.939   6.6563 32.83173 9.537141 
1 1 1    3   13   10 o  320.634   4.9613  355.798   11.010  373.549   14.118  328.244   17.589  328.526   6.2089  307.944   8.2528 20.58249 10.32756 
1 1 1    3   13   11 o  422.527   4.6020  617.859   13.458  639.837   19.357  597.293   18.724  429.960   6.5046  415.419   6.5124 14.54047 9.204453 
1 1 1    3   13   12 o  867.534   7.6761  2605.18   46.089  2631.86   56.691  2553.17   79.156  871.906   9.3943  858.597   13.320 13.30963 16.29985 
1 1 1    3   13   13 o  289.394   5.5002  289.873   11.016  303.560   13.865  266.439   18.143  296.133   6.7650  277.400   9.4496 18.73389 11.62155 
1 1 1    3   13   14 o  375.978   4.8722  489.282   12.678  498.564   18.026  480.195   17.835  379.491   6.8631  372.433   6.9192 7.057953 9.745681 
1 1 1    3   13   15 o  665.860   5.7042  1534.94   26.288  1560.34   37.794  1511.14   36.588  671.203   8.1357  660.545   8.0032 10.65784 11.41228 
1 1 1    3   13   16 o  339.863   5.8537  399.994   13.769  384.439   25.551  406.361   16.346  332.893   11.090  342.511   6.8955 -9.618744 13.05866 
1 1 1    3   13   17 o  225.620   5.6087  176.317   8.7582  176.740   12.240  175.873   12.538  225.794   7.8322  225.229   8.0429 0.5650635 11.22639 
1 1 1    3   13   18 o  247.035   5.4786  211.434   9.3671  209.635   13.126  213.300   13.372  245.840   7.7142  247.973   7.7913 -2.133408 10.96418 
1 1 1    3   13   19 o  149.661   8.3066   78.029   8.5704   75.745   10.519   82.537   14.780  147.169   10.394  153.011   14.115 -5.841187 17.52975 
1 1 1    3   13   20 o   73.898   14.670   19.828   7.2386   32.405   10.124   6.6734   10.354   94.699   16.017   52.443   20.201 42.25607 25.78078 
1 1 1    3   13   21 o  119.907   10.098   50.560   8.3026   35.512   12.893   61.221   10.852   97.989   19.694  131.617   12.047 -33.62801 23.08617 
1 1 1    3   15    0 o  844.745   7.3036  2469.64   42.701  2498.04   52.827  2416.10   72.529  849.571   8.9842  835.472   12.543 14.09833 15.42872 
1 1 1    3   15    1 o  2554.40   17.017 22590.06  300.842 22407.28  421.487 22779.90  429.538  2543.49   23.943  2564.53   24.200 -21.03735 34.04276 
1 1 1    3   15    2 o  2329.36   17.973 18786.67  289.751 18643.90  497.875 18859.79  356.306  2319.28   31.016  2333.57   22.061 -14.29810 38.06183 
1 1 1    3   15    3 o  440.397   6.0445  671.220   18.424  671.220   18.424   0.0000   0.0000  440.397   6.0445  ?   ?  0.000000 6.044504 
1 1 1    3   15    4 o  970.084   8.1877  3257.13   54.973  3248.78   95.447  3261.27   67.247  968.685   14.236  970.663   10.010 -1.978455 17.40323 
1 1 1    3   15    5 o  1314.08   13.001  5979.48  118.244  5926.83  165.678  6034.15  168.811  1307.89   18.303  1319.66   18.483 -11.77197 26.01148 
1 1 1    3   15    6 o  318.370   8.8247  350.927   19.445  350.927   19.445   0.0000   0.0000  318.370   8.8247  ?   ?  0.000000 8.824674 
1 1 1    3   15    7 o  513.103   4.6832  911.219   16.631  928.007   23.865  895.368   23.190  517.767   6.6596  508.582   6.5882 9.185028 9.367754 
1 1 1    3   15    8 o  595.279   5.0916  1226.44   20.977  1253.48   30.249  1201.39   29.117  601.763   7.2628  589.130   7.1409 12.63318 10.18532 
1 1 1    3   15    9 o  538.933   5.5355  1005.24   20.648  1033.17   35.648  991.146   25.329  546.302   9.4280  535.123   6.8389 11.17944 11.64723 
1 1 1    3   15   10 o  719.476   6.7213  1791.63   33.469  1846.34   60.660  1767.69   40.130  730.252   12.002  714.626   8.1137 15.62567 14.48725 
1 1 1    3   15   11 o  213.769   4.8792  158.152   7.2188  162.340   10.401  154.259   10.027  216.571   6.9392  211.113   6.8624 5.458450 9.759353 
1 1 1    3   15   12 o  1031.15   7.5341  3680.56   53.769  3776.01   77.962  3593.98   74.255  1044.29   10.787  1018.82   10.531 25.46838 15.07462 
1 1 1    3   15   13 o  285.068   5.7727  281.280   11.390  282.081   13.467  279.268   21.346  285.462   6.8162  283.969   10.861 1.493225 12.82255 
1 1 1    3   15   14 o  720.289   5.9198  1795.96   29.511  1848.19   42.763  1748.46   40.778  730.569   8.4573  710.594   8.2914 19.97540 11.84372 
1 1 1    3   15   15 o  350.216   5.5117  424.621   13.360  411.024   21.938  432.636   16.843  344.435   9.2025  353.465   6.8850 -9.030121 11.49301 
1 1 1    3   15   16 o  399.591   4.9245  552.847   13.619  551.654   19.192  554.056   19.330  399.058   6.9489  399.923   6.9834 -0.8657837 9.851681 
1 1 1    3   15   17 o  285.185   5.0959  281.670   10.058  268.454   13.929  296.068   14.539  278.304   7.2316  292.270   7.1875 -13.96573 10.19592 
1 1 1    3   15   18 o  322.718   5.0584  360.783   11.298  348.596   15.547  374.422   16.447  317.061   7.0849  328.582   7.2321 -11.52075 10.12420 
1 1 1    3   15   19 o  189.745   7.4051  124.962   9.7248  121.024   11.536  134.634   18.079  186.605   8.9319  195.842   13.419 -9.237213 16.11993 
1 1 1    3   15   20 o  252.187   5.5637  220.572   9.7110  229.806   13.796  211.504   13.671  257.146   7.7519  246.659   8.0083 10.48773 11.14561 
1 1 1    3   15   21 o   38.173   15.836   1.4456   6.8675   12.999   9.5977 -10.6759   9.8307   60.969   19.840   33.953   16.022 27.01579 25.50101 
1 1 1    3   17    0 o  1111.78   7.9046  4277.90   60.824  4239.65   85.250  4317.55   86.806  1106.74   11.129  1116.86   11.230 -10.12000 15.81062 
1 1 1    3   17    1 o  1097.10   9.0299  4165.82   68.565  4132.99   83.233  4235.12  120.943  1092.73   11.005  1106.02   15.799 -13.29346 19.25462 
1 1 1    3   17    2 o  653.023   7.5030  1475.88   33.911  1475.88   33.911   0.0000   0.0000  653.023   7.5030  ?   ?  0.000000 7.502956 
1 1 1    3   17    3 o  804.287   6.1201  2238.75   34.068  2123.10   45.912  2380.45   50.820  783.206   8.4698  829.311   8.8541 -46.10541 12.25283 
1 1 1    3   17    4 o  1373.94   11.015  6534.99  104.740  6424.39  178.705  6592.87  129.272  1361.76   18.961  1379.88   13.536 -18.11938 23.29678 
1 1 1    3   17    5 o  395.839   6.3589  542.339   17.421  500.488   23.524  593.171   25.925  380.222   8.9392  413.931   9.0493 -33.70920 12.72003 
1 1 1    3   17    6 o  1388.00   13.682  6675.63  131.440  6590.24  183.377  6765.85  188.498  1378.21   19.224  1396.40   19.504 -18.18921 27.38560 
1 1 1    3   17    7 o  1877.13   18.044 12218.85  234.426 12497.56  339.846 11965.85  323.792  1896.35   25.893  1855.77   25.209 40.57349 36.13837 
1 1 1    3   17    8 o  770.745   6.8602  2056.20   36.595  2038.54   62.001  2065.64   45.335  767.265   11.676  772.467   8.4796 -5.202087 14.42986 
1 1 1    3   17    9 f  863.506   6.5207  2580.77   38.970  2681.16   57.146  2493.50   53.282  880.064   9.3820  848.716   9.0706 31.34808 13.04983 
1 1 1    3   17   10 o  1342.48   9.3733  6238.75   87.092  6364.37  125.774  6123.04  120.714  1355.71   13.404  1329.78   13.116 25.93335 18.75383 
1 1 1    3   17   11 o  798.540   8.7972  2207.36   48.621  2178.05   69.716  2235.12   67.842  793.088   12.701  803.432   12.200 -10.34363 17.61141 
1 1 1    3   17   12 o  805.715   7.2082  2247.13   40.196  2322.79   51.066  2123.90   65.172  819.104   9.0078  783.121   12.024 35.98334 15.02402 
1 1 1    3   17   13 o  514.961   5.0103  917.847   17.857  943.718   25.766  893.937   24.771  522.121   7.1302  508.166   7.0430 13.95508 10.02219 
1 1 1    3   17   14 o  502.198   5.9330  873.060   20.622  893.370   25.282  832.683   35.647  507.965   7.1911  490.270   10.505 17.69501 12.73088 
1 1 1    3   17   15 o  608.800   7.7082  1283.77   32.479  1283.77   32.479   0.0000   0.0000  608.800   7.7082  ?   ?  0.000000 7.708237 
1 1 1    3   17   16 o  161.338   6.6459   90.170   7.4211   75.677   10.094  107.215   10.947  147.378   9.9547  175.621   9.0371 -28.24301 13.44483 
1 1 1    3   17   17 o   76.180   12.374   20.693   6.3003   15.776   8.5012   26.684   9.3839   66.124   18.064   86.052   16.354 -19.92789 24.36706 
1 1 1    3   17   18 o  146.647   7.2026   74.586   7.3104   84.420   10.283   64.535   10.395  155.589   9.5957  135.748   11.163 19.84160 14.72044 
1 1 1    3   17   19 o   50.252   16.488   8.5246   6.6239   9.6497   9.2075   7.3176   9.5366   55.373   19.425   52.201   19.553 3.171818 27.56169 
1 1 1    3   17   20 o  145.128   10.938   73.936   10.906   67.659   13.773   84.488   17.856  138.000   14.644  153.723   17.071 -15.72363 22.49142 
1 1 1    3   17   21 o  152.146   7.5904   80.558   7.9929   68.439   11.312   92.645   11.296  139.193   11.855  162.509   10.093 -23.31593 15.56917 
1 1 1    3   19    0 o  968.379   7.0661  3245.51   47.359  3233.67   66.725  3257.53   67.229  966.561   9.9743  970.119   10.013 -3.558472 14.13302 
1 1 1    3   19    1 o  991.122   8.3077  3399.90   56.989  3299.02   95.666  3455.39   70.951  976.169   14.160  999.138   10.260 -22.96887 17.48636 
1 1 1    3   19    2 o  1042.72   7.5050  3763.04   54.162  3729.87   75.913  3797.44   77.298  1038.04   10.566  1047.40   10.663 -9.357544 15.01156 
1 1 1    3   19    3 o  1376.45   9.5384  6558.24   90.868  6358.49  124.320  6787.37  133.148  1355.14   13.255  1400.07   13.741 -44.92871 19.09185 
1 1 1    3   19    4 o  794.143   6.0749  2182.81   33.390  2129.37   46.132  2241.61   48.389  784.299   8.4985  804.698   8.6884 -20.39899 12.15371 
1 1 1    3   19    5 o  1293.79   18.184  5804.88  162.829  5804.88  162.829   0.0000   0.0000  1293.79   18.184  ?   ?  0.000000 18.18412 
1 1 1    3   19    6 o  174.305   7.8723  105.185   9.4971  110.976   13.501   99.512   13.362  178.666   10.971  169.109   11.484 9.557144 15.88259 
1 1 1    3   19    7 o  548.657   7.2424  1042.01   27.502  1079.02   39.985  1008.78   37.886  558.234   10.349  539.764   10.142 18.46985 14.48982 
1 1 1    3   19    8 o  337.170   6.6829  393.485   15.595  393.561   22.454  393.415   21.676  337.168   9.6222  337.110   9.2903 0.5813599E-01 13.37523 
1 1 1    3   19    9 f  685.792   7.9135  1627.91   37.561  1627.91   37.561   0.0000   0.0000  685.792   7.9135  ?   ?  0.000000 7.913471 
1 1 1    3   19   10 o  1237.55   8.7405  5301.39   74.864  5451.41  108.971  5167.29  103.027  1254.76   12.548  1221.64   12.185 33.11670 17.49085 
1 1 1    3   19   11 o  939.702   8.0311  3056.67   52.232  3111.97   65.492  2960.00   86.583  948.094   9.9806  924.489   13.532 23.60547 16.81434 
1 1 1    3   19   12 o  499.636   5.7913  864.046   20.027  818.537   35.718  884.912   24.186  486.191   10.615  505.612   6.9114 -19.42157 12.66646 
1 1 1    3   19   13 o  390.914   4.7329  528.911   12.805  555.782   18.677  505.077   17.590  400.687   6.7349  381.974   6.6536 18.71301 9.467319 
1 1 1    3   19   14 o  553.878   6.0916  1062.05   23.352  1084.88   43.266  1052.67   27.739  559.539   11.172  551.380   7.2688 8.159180 13.32863 
1 1 1    3   19   15 o  196.307   5.8537  133.434   7.9532  127.467   11.255  139.385   11.240  191.807   8.4784  200.584   8.0963 -8.776855 11.72320 
1 1 1    3   19   16 o  201.045   5.6106  139.981   7.8069  134.666   10.821  145.750   11.274  197.116   7.9318  205.067   7.9433 -7.950882 11.22545 
1 1 1    3   19   17 o  336.683   5.4755  392.670   12.759  400.847   16.041  378.585   21.053  340.076   6.8151  330.285   9.2097 9.791412 11.45706 
1 1 1    3   19   18 o  109.481   11.331   42.157   8.4618   53.756   17.301   38.509   9.7013  121.724   21.312  104.160   13.797 17.56425 25.38829 
1 1 1    3   19   19 o  282.573   5.2555  276.769   10.278  267.286   14.642  285.980   14.431  277.440   7.6254  287.023   7.2646 -9.583527 10.53191 
1 1 1    3   19   20 o  180.651   6.6625  113.321   8.3302   98.980   11.283  130.506   12.351  168.236   9.7314  193.565   9.2195 -25.32973 13.40517 
1 1 1    3   19   21 f   89.748   14.193   29.098   8.5227   32.417   10.060   20.659   16.043   94.357   15.974   76.306   25.679 18.05113 30.24167 
1 1 1    3   21    0 o  756.794   6.8076  1982.26   35.657  1922.93   60.077  2014.53   44.304  745.285   11.647  762.903   8.3908 -17.61737 14.35466 
1 1 1    3   21    1 o  351.725   4.8202  428.139   11.734  414.776   14.022  459.366   21.435  346.187   5.8521  364.299   8.5012 -18.11230 10.32075 
1 1 1    3   21    2 o  373.064   4.8947  481.672   12.638  468.086   15.051  514.146   23.271  367.758   5.9134  385.399   8.7241 -17.64099 10.53939 
1 1 1    3   21    3 o  702.607   5.5974  1708.58   27.219  1654.85   37.436  1768.83   39.647  691.425   7.8229  714.834   8.0137 -23.40887 11.19893 
1 1 1    3   21    4 o  1034.90   8.5985  3708.02   61.588  3657.29   74.603  3816.58  109.134  1027.68   10.489  1049.45   15.025 -21.76636 18.32407 
1 1 1    3   21    5 o  386.396   4.1987  516.733   11.228  537.118   16.129  497.563   15.641  393.919   5.9160  379.137   5.9606 14.78253 8.398086 
1 1 1    3   21    6 o  356.454   6.5739  439.814   16.218  406.732   22.468  475.805   23.435  342.738   9.4716  370.707   9.1339 -27.96909 13.15823 
1 1 1    3   21    7 o  490.994   9.7971  834.634   33.293   0.0000   0.0000  834.634   33.293  ?   ?   490.994   9.7971 0.000000 9.797071 
1 1 1    3   21    8 o  662.971   7.9754  1521.40   36.595  1534.63   52.374  1508.78   51.154  665.763   11.366  660.136   11.196 5.626892 15.95454 
1 1 1    3   21    9 o  910.876   9.8173  2872.17   61.891  2918.54   89.015  2828.78   86.112  918.040   14.010  903.824   13.766 14.21613 19.64098 
1 1 1    3   21   10 o  1161.98   8.3106  4673.67   66.836  4780.52   78.637  4395.61  126.850  1175.14   9.6685  1126.48   16.270 48.65833 18.92607 
1 1 1    3   21   11 o  926.120   6.9343  2968.79   44.447  2962.19   62.775  2975.43   62.941  924.985   9.8056  927.049   9.8097 -2.063965 13.87015 
1 1 1    3   21   12 o  585.685   5.2517  1187.27   21.288  1216.33   30.718  1160.41   29.529  592.758   7.4874  578.975   7.3692 13.78253 10.50554 
1 1 1    3   21   13 o  513.252   5.6392  911.843   20.032  964.878   34.768  885.488   24.509  527.841   9.5170  505.745   7.0020 22.09595 11.81527 
1 1 1    3   21   14 o  326.307   5.7338  368.613   12.949  370.317   15.504  364.683   23.546  327.033   6.8500  324.414   10.487 2.619385 12.52585 
1 1 1    3   21   15 o  307.426   4.8093  327.202   10.233  354.168   14.917  303.234   14.064  319.778   6.7401  295.887   6.8674 23.89087 9.622340 
1 1 1    3   21   16 o  330.750   4.8284  378.804   11.053  381.865   15.644  375.752   15.619  331.983   6.8084  329.312   6.8528 2.670258 9.659970 
1 1 1    3   21   17 o  357.384   4.8502  442.368   11.997  456.364   17.238  429.222   16.706  362.840   6.8645  351.885   6.8597 10.95493 9.704421 
1 1 1    3   21   18 o  254.911   5.2992  225.166   9.3493  233.715   13.414  217.088   13.038  259.535   7.4674  250.127   7.5315 9.408005 10.60596 
1 1 1    3   21   19 o   62.624   17.585   14.219   7.9353   9.4585   15.899   15.798   9.1574   63.794   24.905   66.055   19.007 -2.260487 31.32923 
1 1 1    3   21   20 o  174.344   6.6771  105.564   8.0570  109.443   11.241  101.466   11.554  176.999   9.2076  170.292   9.8454 6.706772 13.48005 
1 1 1    3   21   21 o  138.048   8.2027   66.659   7.8020   68.042   10.737   65.112   11.357  138.830   11.271  135.549   12.238 3.281158 16.63743 
1 1 1    3   23    0 o  275.673   4.8791  263.015   9.3092  262.683   16.010  263.185   11.442  275.470   8.3975  275.754   5.9953 -0.2843933 10.31801 
1 1 1    3   23    1 o  1002.51   7.2990  3478.81   50.644  3374.68   69.475  3596.89   73.980  987.274   10.168  1019.24   10.487 -31.97028 14.60683 
1 1 1    3   23    2 o  1014.65   7.3670  3563.75   51.735  3472.36   71.266  3665.57   75.224  1001.42   10.282  1028.89   10.564 -27.46783 14.74158 
1 1 1    3   23    3 o  994.287   8.4062  3422.67   57.848  3204.88   94.317  3554.01   73.241  961.735   14.170  1013.06   10.446 -51.32489 17.60383 
1 1 1    3   23    4 o  923.107   6.8366  2949.81   43.679  2860.74   59.980  3050.37   63.732  908.922   9.5347  938.546   9.8113 -29.62457 13.68104 
1 1 1    3   23    5 o  693.963   5.5710  1666.89   26.757  1623.19   37.027  1714.65   38.710  684.741   7.8130  703.763   7.9474 -19.02234 11.14467 
1 1 1    3   23    6 o  697.936   11.514  1686.83   55.621   0.0000   0.0000  1686.83   55.621  ?   ?   697.936   11.514 0.000000 11.51449 
1 1 1    3   23    7 o  776.229   8.7516  2085.77   47.017  2069.27   66.319  2102.44   66.666  773.027   12.396  779.200   12.362 -6.172485 17.50603 
1 1 1    3   23    8 o  388.638   6.9247  522.771   18.626  557.561   27.472  493.171   25.340  401.325   9.8904  377.444   9.7000 23.88177 13.85315 
1 1 1    3   23    9 o  449.034   7.1000  697.882   22.066  688.781   31.340  706.829   31.072  446.056   10.152  451.866   9.9355 -5.809845 14.20457 
1 1 1    3   23   10 o  302.834   10.853  317.512   22.747  317.512   22.747   0.0000   0.0000  302.834   10.853  ?   ?  0.000000 10.85289 
1 1 1    3   23   11 o  465.008   4.7449  748.375   15.271  759.907   17.353  708.781   32.154  468.570   5.3508  452.443   10.268 16.12714 11.57874 
1 1 1    3   23   12 o  458.353   5.7290  727.181   18.174  763.712   22.164  652.195   31.754  469.704   6.8177  433.963   10.572 35.74051 12.57986 
1 1 1    3   23   14 o  497.637   5.9262  857.393   20.411  879.778   24.915  811.707   35.593  504.037   7.1419  483.942   10.627 20.09525 12.80353 
1 1 1    3   23   15 o  208.629   5.2790  150.712   7.6227  164.690   11.187  138.598   10.414  218.029   7.4137  200.011   7.5231 18.01860 10.56224 
1 1 1    3   23   16 o  141.279   8.4962   69.463   8.2691   70.091   9.5674   67.610   16.440  141.786   9.8098  138.080   17.603 3.706161 20.15222 
1 1 1    3   23   17 o  311.089   4.8592  335.204   10.462  349.600   15.091  321.880   14.518  317.556   6.8661  304.705   6.8841 12.85101 9.722853 
1 1 1    3   23   18 o  232.573   5.9754  187.519   9.6185  204.683   15.794  177.401   12.126  242.662   9.4042  226.073   7.7501 16.58911 12.18614 
1 1 1    3   23   19 o  110.418   9.0019   42.693   6.8195   43.302   9.8966   42.142   9.4104  110.473   13.205  109.064   12.705 1.409576 18.32449 
1 1 1    3   23   20 o  141.177   8.9887   69.720   8.7372   71.561   17.864   69.141   10.017  140.572   18.834  140.335   10.387 0.2365417 21.50876 
1 1 1    3   25    0 o  647.505   5.3901  1451.15   24.156  1417.73   33.473  1487.47   34.894  639.949   7.5574  655.495   7.6914 -15.54645 10.78291 
1 1 1    3   25    1 o  567.626   5.0082  1115.17   19.675  1093.28   27.381  1138.54   28.291  561.982   7.0397  573.495   7.1275 -11.51233 10.01791 
1 1 1    3   25    2 o  1383.03   9.6122  6623.50   92.009  6417.49  125.739  6860.96  134.995  1360.95   13.349  1407.12   13.861 -46.17029 19.24411 
1 1 1    3   25    3 o  481.118   4.6607  801.154   15.520  792.386   21.682  810.367   22.224  478.442   6.5476  483.839   6.6367 -5.396240 9.322953 
1 1 1    3   25    4 o  353.237   4.2648  431.846   10.427  421.612   14.553  442.641   14.946  349.006   6.0246  357.604   6.0389 -8.597992 8.530182 
1 1 1    3   25    5 o  199.637   4.3675  137.934   6.0346  153.411   8.7724  124.030   8.3145  210.530   6.0204  189.297   6.3462 21.23260 8.747524 
1 1 1    3   25    6 o  1004.91   7.3341  3495.46   51.010  3410.91   70.465  3588.55   73.938  992.570   10.257  1018.08   10.493 -25.50708 14.67380 
1 1 1    3   25    7 o  189.922   8.4126  124.857   11.058  122.829   16.063  126.683   15.246  187.934   12.420  190.932   11.592 -2.997894 16.98890 
1 1 1    3   25    8 o  989.318   10.425  3388.29   71.382  3390.24  101.108  3386.34  100.792  989.418   14.765  988.851   14.727 0.5677490 20.85399 
1 1 1    3   25    9 o  1056.61   15.569  3866.83  113.851  3866.83  113.851   0.0000   0.0000  1056.61   15.569  ?   ?  0.000000 15.56853 
1 1 1    3   25   10 o  1175.95   12.020  4788.59   97.828  4882.93  141.180  4701.46  135.682  1187.08   17.184  1164.85   16.830 22.23535 24.05242 
1 1 1    3   25   11 o  1288.97   12.977  5755.08  115.768  5912.19  168.507  5614.63  159.319  1305.78   18.645  1272.57   18.089 33.20959 25.97802 
1 1 1    3   25   12 o  324.710   5.0144  364.938   11.269  380.154   12.870  314.927   23.332  331.403   5.6111  301.530   11.180 29.87216 12.50915 
1 1 1    3   25   13 f  261.861   4.9977  237.355   9.0577  246.446   10.071  198.878   20.719  266.822   5.4535  239.208   12.559 27.61371 13.69161 
1 1 1    3   25   14 o  106.556   12.916   39.968   9.3308   32.135   11.373   56.098   16.319   94.570   18.034  125.507   19.414 -30.93658 26.49778 
1 1 1    3   25   15 o  427.270   5.6191  632.214   16.617  632.214   16.617   0.0000   0.0000  427.270   5.6191  ?   ?  0.000000 5.619055 
1 1 1    3   25   16 o  151.314   7.2108   79.361   7.5516   79.011   8.4592   80.732   16.758  150.729   8.1390  151.270   16.262 -0.5405884 18.18474 
1 1 1    3   25   17 o   27.847   13.263  -9.1388   7.0444  -5.9963   8.0580 -19.3268   14.509   33.238   15.280   39.544   18.889 -6.305683 24.29595 
1 1 1    3   25   18 o  262.864   5.5661  239.514   10.127  236.100   11.462  251.658   21.620  260.919   6.3469  268.698   11.625 -7.778351 13.24519 
1 1 1    3   25   19 o   40.619   16.608   2.1825   7.4118   9.6434   8.3734 -24.8195   15.930   54.250   18.550   39.533   19.113 14.71642 26.63488 
1 1 1    3   25   20 o  131.865   8.9134   60.874   8.0871   58.802   9.2558   67.561   16.626  129.314   10.430  136.672   18.015 -7.358368 20.81679 
1 1 1    3   27    0 o  915.095   6.8391  2898.80   43.315  2782.71   58.821  3036.34   64.024  896.451   9.4805  936.388   9.8789 -39.93762 13.69204 
1 1 1    3   27    1 o  1543.15   15.019  8253.27  160.411   0.0000   0.0000  8253.27  160.411  ?   ?   1543.15   15.019 0.000000 15.01931 
1 1 1    3   27    2 o  780.951   6.9992  2111.21   37.831  2088.37   45.991  2159.02   66.529  776.652   8.5559  789.489   12.176 -12.83685 14.88111 
1 1 1    3   27    3 o  480.266   4.6864  798.302   15.577  804.631   22.057  792.004   22.003  482.135   6.6099  478.337   6.6462 3.798676 9.373465 
1 1 1    3   27    4 o  928.801   8.0076  2986.30   51.475  2869.75   60.414  3295.12   98.336  910.430   9.5877  975.276   14.568 -64.84631 17.44017 
1 1 1    3   27    5 o  1165.73   9.5375  4704.57   76.950  4523.42  127.238  4809.04   96.623  1142.64   16.089  1178.48   11.846 -35.83167 19.97973 
1 1 1    3   27    6 o  1277.37   8.9740  5648.23   79.338  5482.89  108.795  5836.02  115.948  1258.35   12.492  1298.21   12.904 -39.86462 17.96032 
1 1 1    3   27    7 o  496.560   7.1792  853.428   24.673  836.097   34.666  871.219   35.125  491.448   10.192  501.665   10.116 -10.21729 14.36007 
1 1 1    3   27    8 o  1074.46   11.153  3996.78   82.939  3933.66  115.335  4064.39  119.357  1065.72   15.637  1083.26   15.920 -17.54773 22.31460 
1 1 1    3   27    9 o  426.713   7.2080  630.244   21.288  630.244   30.017  630.244   30.195  426.670   10.165  426.669   10.225 0.1037598E-02 14.41781 
1 1 1    3   27   10 f  345.888   7.4563  414.133   17.850  395.707   25.405  432.098   25.085  338.053   10.858  353.267   10.260 -15.21341 14.93864 
1 1 1    3   27   11 o  255.695   11.425  226.439   20.219   0.0000   0.0000  226.439   20.219  ?   ?   255.695   11.425 0.000000 11.42531 
1 1 1    3   27   12 o  461.144   7.5537  736.248   24.109  755.610   35.137  719.024   33.140  467.050   10.870  455.617   10.509 11.43268 15.11958 
1 1 1    3   27   13 o  599.742   5.3297  1245.15   22.123  1280.79   25.569  1139.02   44.125  608.233   6.0738  573.291   11.121 34.94183 12.67122 
1 1 1    3   27   14 o  312.431   4.7966  337.936   10.372  358.260   11.643  259.805   22.829  321.676   5.2296  273.644   12.054 48.03198 13.13922 
1 1 1    3   27   15 o  388.738   5.9091  523.409   15.898  547.719   19.606  476.732   27.168  397.584   7.1250  370.640   10.591 26.94342 12.76441 
1 1 1    3   27   16 o  398.352   4.9273  549.586   13.585  559.593   15.508  516.585   28.163  401.916   5.5751  385.642   10.552 16.27390 11.93400 
1 1 1    3   27   17 o   34.701   14.964  -0.6488   6.5378  -1.5118   7.2282   3.2327   15.330   35.517   15.520   57.003   23.654 -21.48597 28.29130 
1 1 1    3   27   18 o  260.459   6.2114  235.280   11.197  247.866   13.205  203.073   21.123  267.240   7.1394  240.803   12.719 26.43666 14.58604 
1 1 1    3   27   19 o   97.698   11.475   33.794   7.6112   32.759   8.4728   38.122   17.324   95.836   13.118  100.757   24.969 -4.920944 28.20574 
1 1 1    3   27   20 o   53.715   18.114   9.7117   7.9832   9.7117   7.9832   0.0000   0.0000   53.715   18.114  ?   ?  0.000000 18.11416 
1 1 1    3   29    0 o  1156.45   8.2603  4629.88   66.115  4501.79   90.772  4774.61   96.490  1140.14   11.503  1174.15   11.874 -34.01050 16.53197 
1 1 1    3   29    1 o  703.949   6.5880  1715.27   32.098  1663.63   38.372  1835.61   58.575  693.232   7.9975  728.041   11.625 -34.80841 14.11007 
1 1 1    3   29    2 o  1329.62   10.753  6121.58   98.958  5907.32  165.471  6240.87  123.472  1305.40   18.315  1342.30   13.290 -36.90039 22.62887 
1 1 1    3   29    3 o  1401.21   9.7334  6797.48   94.394  6738.93  132.242  6858.29  134.780  1394.85   13.698  1407.14   13.839 -12.28552 19.47213 
1 1 1    3   29    4 o  1356.59   10.903  6371.86  102.373  6068.29  167.659  6552.32  129.270  1323.26   18.306  1375.47   13.579 -52.20874 22.79285 
1 1 1    3   29    5 o  620.495   5.2835  1332.51   22.690  1281.22   31.131  1390.63   33.140  608.404   7.3931  633.847   7.5543 -25.44305 10.57005 
1 1 1    3   29    6 f  261.859   4.2812  237.306   7.7590  234.567   10.846  240.178   11.104  260.335   6.0195  263.430   6.0905 -3.094513 8.563171 
1 1 1    3   29    7 o  633.430   5.3372  1388.63   23.399  1334.05   32.035  1451.05   34.258  620.828   7.4554  647.478   7.6447 -26.65002 10.67827 
1 1 1    3   29    8 o  880.008   9.6639  2680.83   58.859  2622.93   81.519  2743.90   85.074  870.308   13.534  890.140   13.809 -19.83173 19.33504 
1 1 1    3   29    9 o  392.764   7.3444  533.968   19.965  554.634   28.716  514.634   27.776  400.244   10.366  385.540   10.409 14.70352 14.69062 
1 1 1    3   29   10 o  804.311   9.1783  2239.76   51.093  2239.51   72.676  2240.00   71.844  804.071   13.059  804.167   12.908 -0.9655762E-01 18.36212 
1 1 1    3   29   11 f  541.702   7.7199  1015.90   28.943  1009.76   41.093  1021.95   40.773  539.944   10.996  543.201   10.845 -3.257141 15.44455 
1 1 1    3   29   12 o  263.420   8.5903  240.297   15.662  263.366   22.791  219.658   21.558  275.685   11.945  251.760   12.372 23.92532 17.19729 
1 1 1    3   29   13 o  472.931   7.5177  774.613   24.607  797.073   35.637  754.146   34.018  479.541   10.737  466.464   10.537 13.07779 15.04395 
1 1 1    3   29   14 o  309.440   4.6041  331.503   9.8606  336.496   10.852  307.854   23.616  311.748   5.0294  297.863   11.455 13.88495 12.51090 
1 1 1    3   29   15 o  205.156   5.7180  145.784   8.1191  146.371   9.0003  143.219   18.815  205.548   6.3265  202.480   13.503 3.067825 14.91171 
1 1 1    3   29   16 o   56.555   19.788   9.9898   9.5513   5.3415   12.294   17.068   15.171   54.315   21.682   72.531   24.963 -18.21611 33.06469 
1 1 1    3   29   17 o  192.608   6.0223  128.602   8.0282  128.470   8.9103  129.171   18.506  192.471   6.6888  191.803   14.038 0.6677094 15.54992 
1 1 1    3   29   18 o  154.519   7.3067   82.896   7.8142   82.960   8.5868   82.585   18.849  154.316   8.0678  151.904   18.297 2.411163 19.99638 
1 1 1    3   29   19 o   40.866   17.260   0.7257   8.3826   0.7257   8.3826   0.0000   0.0000   40.866   17.260  ?   ?  0.000000 17.25957 
1 1 1    3   29   20 o  143.466   8.0029   71.920   7.9148   71.520   8.8258   73.561   17.888  142.890   8.9698  142.184   18.626 0.7067719 20.67313 
1 1 1    3   31    0 f  623.686   5.3695  1346.28   23.178  1309.81   31.977  1386.66   33.644  615.141   7.5108  632.926   7.6803 -17.78455 10.74238 
1 1 1    3   31    1 o  871.594   6.6337  2629.43   40.017  2492.19   53.809  2799.26   59.859  848.468   9.1631  899.203   9.6182 -50.73553 13.28432 
1 1 1    3   31    2 o  712.562   6.6551  1757.42   32.821  1747.81   56.034  1762.44   40.495  710.480   11.395  713.544   8.1997 -3.064270 14.03872 
1 1 1    3   31    3 o  1556.42   10.706  8386.92  115.330  8327.23  161.872  8448.46  164.361  1550.52   15.084  1561.76   15.206 -11.23413 21.41823 
1 1 1    3   31    4 o  1597.69   10.963  8837.41  121.223  8706.98  168.693  8976.68  174.315  1585.51   15.373  1609.85   15.645 -24.34290 21.93351 
1 1 1    3   31    5 o  1629.76   12.910  9196.92  145.625  9096.64  175.998  9414.63  259.317  1620.63   15.691  1647.94   22.736 -27.31702 27.62469 
1 1 1    3   31    6 o  127.020   5.9683   55.840   5.2469   61.027   7.1516   49.793   7.7215  132.551   7.8302  119.564   9.4069 12.98676 12.23936 
1 1 1    3   31    7 o  250.314   4.7728  216.847   8.2686  195.425   10.338  254.878   13.775  237.622   6.2862  271.363   7.3343 -33.74167 9.659651 
1 1 1    3   31    8 o  1113.91   11.520  4296.22   88.815  4198.54  122.918  4402.93  128.473  1100.88   16.132  1127.33   16.466 -26.45215 23.05164 
1 1 1    3   31    9 o  683.186   8.4036  1615.78   39.736  1623.42   56.474  1608.29   55.920  684.672   11.917  681.479   11.856 3.193787 16.81046 
1 1 1    3   31   10 o  1114.39   11.556  4301.17   89.126  4322.44  126.948  4280.49  125.158  1116.65   16.426  1111.24   16.273 5.414551 23.12205 
1 1 1    3   31   11 o  481.294   7.6406  801.995   25.452  830.244   36.986  776.585   35.078  489.576   10.915  473.500   10.704 16.07605 15.28775 
1 1 1    3   31   12 o  607.654   8.0292  1278.71   33.768  1341.46   49.225  1222.93   46.410  622.156   11.432  594.043   11.288 28.11279 16.06552 
1 1 1    3   31   13 o  112.228   23.163   45.566   17.395   45.566   17.395   0.0000   0.0000  112.228   23.163  ?   ?  0.000000 23.16306 
1 1 1    3   31   14 o  371.458   7.6224  478.133   19.597  490.244   28.268  466.927   27.191  375.873   10.866  366.840   10.710 9.033325 15.25671 
1 1 1    3   31   15 o  118.210   6.6040   48.572   5.3814   51.813   5.6864   20.766   16.657  122.090   6.7557   78.613   26.163 43.47651 27.02145 
1 1 1    3   31   16 o  279.442   4.8242  270.480   9.3302  274.210   10.341  254.146   21.639  281.335   5.3108  270.277   11.568 11.05804 12.72862 
1 1 1    3   31   17 o  283.956   5.0078  279.390   9.8417  276.723   10.848  291.805   23.401  282.556   5.5470  289.367   11.684 -6.811035 12.93409 
1 1 1    3   31   18 o  134.298   7.8400   62.879   7.2556   63.261   7.8372   60.585   19.193  134.627   8.4539  128.525   22.390 6.102280 23.93311 
1 1 1    3   31   19 o  203.930   6.0604  144.361   8.5538  148.254   9.3774  125.073   20.872  206.607   6.5578  187.383   16.255 19.22475 17.52816 
1 1 1    3   33    0 o  2478.71   19.168 21291.55  328.832 20624.38  387.915 22995.12  619.868  2438.82   22.982  2571.82   34.824 -133.0024 41.72388 
1 1 1    3   33    1 o  842.923   6.4860  2459.19   37.839  2358.33   51.457  2577.94   55.836  825.396   9.0076  862.961   9.3485 -37.56561 12.98197 
1 1 1    3   33    2 o  847.609   7.4978  2486.73   43.985  2460.76   53.484  2540.98   77.314  843.130   9.1655  856.626   13.040 -13.49615 15.93916 
1 1 1    3   33    3 o  1258.84   10.278  5485.95   89.546  5380.49  152.753  5541.16  110.529  1246.23   17.710  1265.04   12.624 -18.81287 21.74859 
1 1 1    3   33    4 o  488.132   4.8258  824.621   16.304  826.896   23.002  822.325   23.112  488.785   6.7994  487.432   6.8510 1.353729 9.652334 
1 1 1    3   33    5 o  205.669   4.9069  146.392   6.9848  151.925   9.8259  140.740   9.9310  209.512   6.7762  201.650   7.1157 7.861237 9.825994 
1 1 1    3   33    6 o  977.079   8.3180  3304.54   56.250  3121.51   65.212  3836.58  111.182  949.585   9.9224  1052.50   15.263 -102.9132 18.20468 
1 1 1    3   33    7 o  382.958   6.3275  507.596   16.771  507.596   16.771   0.0000   0.0000  382.958   6.3275  ?   ?  0.000000 6.327518 
1 1 1    3   33    8 f  386.402   6.2400  516.782   16.688  516.782   16.688   0.0000   0.0000  386.402   6.2400  ?   ?  0.000000 6.239958 
1 1 1    3   33    9 o  885.117   13.787  2714.15   84.462   0.0000   0.0000  2714.15   84.462  ?   ?   885.117   13.787 0.000000 13.78747 
1 1 1    3   33   10 o  744.659   8.8456  1920.03   45.589  1914.63   64.647  1925.37   64.300  743.399   12.565  745.487   12.462 -2.087402 17.69676 
1 1 1    3   33   11 o  190.653   10.600  126.310   13.932  136.781   20.438  117.219   19.043  198.033   15.024  183.225   15.152 14.80849 21.33795 
1 1 1    3   33   12 o  535.469   7.7568  993.046   28.747  1029.76   41.766  960.000   39.627  545.047   11.072  526.278   10.879 18.76953 15.52222 
1 1 1    3   33   13 o   66.074   21.675   14.614   11.447   3.6468   16.588   24.585   15.818   59.818   24.696   83.476   25.236 -23.65740 35.30977 
1 1 1    3   33   14 o  292.335   8.0037  296.231   16.194  275.317   23.086  316.488   22.721  281.547   11.847  301.952   10.872 -20.40479 16.07997 
1 1 1    3   33   15 o  363.394   10.445  458.683   26.270   0.0000   0.0000  458.683   26.270  ?   ?   363.394   10.445 0.000000 10.44494 
1 1 1    3   33   16 o   41.457   19.586 -16.6341   14.772   0.0000   0.0000 -16.6341   14.772  ?   ?    41.457   19.586 0.000000 19.58614 
1 1 1    3   33   17 o  143.031   6.4342   70.960   6.3694   69.962   6.7633   78.780   18.940  141.998   6.8818  148.289   18.883 -6.290771 20.09747 
1 1 1    3   33   18 o  171.659   6.5863  102.286   7.8250  102.286   7.8250   0.0000   0.0000  171.659   6.5863  ?   ?  0.000000 6.586296 
1 1 1    3   35    0 o  237.005   5.0611  194.402   8.3020  192.195   11.453  196.845   12.051  235.647   7.0223  238.479   7.3014 -2.831985 10.13038 
1 1 1    3   35    1 o  1167.11   8.3540  4714.90   67.481  4601.38   93.069  4840.73   97.987  1152.85   11.664  1182.44   11.973 -29.58948 16.71571 
1 1 1    3   35    2 o  1243.64   10.162  5354.06   87.468  5146.34  144.899  5473.14  109.711  1218.89   17.176  1257.28   12.608 -38.38892 21.30681 
1 1 1    3   35    3 o  330.094   4.6625  377.097   10.652  381.698   15.035  372.461   15.094  332.090   6.5413  328.046   6.6481 4.043732 9.326564 
1 1 1    3   35    4 o  1019.45   8.6778  3597.42   61.228  3452.68  102.791  3677.01   76.227  998.490   14.874  1030.60   10.687 -32.11206 18.31521 
1 1 1    3   35    5 o  919.825   6.9102  2928.40   43.992  2897.29   61.521  2960.96   62.931  914.850   9.7163  924.843   9.8314 -9.993225 13.82256 
1 1 1    3   35    6 o  416.324   4.6841  599.858   13.497  575.097   18.500  628.036   19.735  407.624   6.5574  425.971   6.6940 -18.34702 9.370676 
1 1 1    3   35    7 o  350.990   4.5779  426.364   11.121  437.670   15.635  414.785   15.821  355.598   6.3527  346.174   6.6035 9.424133 9.163104 
1 1 1    3   35    8 o  228.992   4.6052  181.484   7.2987  163.256   9.8552  203.626   10.862  217.175   6.5566  242.545   6.4705 -25.37035 9.211725 
1 1 1    3   35    9 o  592.503   8.0204  1215.39   32.890  1155.12   45.167  1283.42   47.987  577.504   11.300  608.725   11.390 -31.22162 16.04470 
1 1 1    3   35   10 o  469.152   7.6256  762.054   24.761  740.488   34.714  784.390   35.328  462.350   10.848  475.864   10.727 -13.51398 15.25590 
1 1 1    3   35   11 o  313.173   7.9400  339.648   17.210  343.610   24.856  336.000   23.852  314.874   11.406  311.381   11.068 3.492706 15.89285 
1 1 1    3   35   12 o  355.825   7.6080  438.561   18.736  440.341   27.082  436.927   25.948  356.364   10.980  355.006   10.561 1.358215 15.23480 
1 1 1    3   35   13 o  374.103   7.4755  484.922   19.356  488.293   27.395  481.561   27.351  375.169   10.550  372.569   10.607 2.600037 14.96052 
1 1 1    3   35   14 o  236.680   12.038  195.171   19.655   0.0000   0.0000  195.171   19.655  ?   ?   236.680   12.038 0.000000 12.03817 
1 1 1    3   35   15 o  153.480   11.783   82.418   12.421   74.244   18.027   89.805   17.138  144.423   18.457  159.602   15.718 -15.17917 24.24320 
1 1 1    3   35   16 o  104.571   24.153   40.385   17.128   40.385   17.128   0.0000   0.0000  104.571   24.153  ?   ?  0.000000 24.15321 
1 1 1    3   35   17 o  236.537   9.2553  194.626   15.152  198.342   20.545  190.195   22.436  237.953   12.519  232.649   13.999 5.304718 18.77993 
1 1 1    3   35   18 o  107.079   7.7088   40.063   5.6748   41.531   5.9683   26.224   18.323  108.998   7.9666   85.160   27.385 23.83875 28.52063 
1 1 1    3   35   19 o  111.050   8.6151   43.245   6.5697   42.429   7.0623   48.493   17.904  109.856   9.3784  113.411   23.579 -3.555161 25.37543 
1 1 1    3   37    0 o  468.053   4.8935  758.179   15.852  730.474   21.891  788.724   22.986  459.404   6.8850  477.369   6.9571 -17.96494 9.787981 
1 1 1    3   37    1 o  1631.69   15.847  9221.12  178.966  8936.58  244.208  9551.22  263.032  1605.71   21.974  1659.89   22.896 -54.18713 31.73450 
1 1 1    3   37    2 o  1211.59   8.6270  5081.19   72.342  4909.73   98.679  5280.41  106.368  1190.83   11.973  1234.95   12.445 -44.11169 17.26902 
1 1 1    3   37    3 o  740.229   6.0200  1896.41   30.842  1802.56   41.629  2010.62   45.920  721.637   8.3350  762.139   8.7054 -40.50244 12.05221 
1 1 1    3   37    4 o  632.682   5.4937  1385.37   24.056  1346.24   33.290  1428.14   34.801  623.649   7.7126  642.337   7.8280 -18.68774 10.98916 
1 1 1    3   37    5 f  824.669   7.3546  2353.98   41.977  2315.74   50.966  2434.63   74.018  817.899   9.0034  838.492   12.754 -20.59375 15.61206 
1 1 1    3   37    6 o  884.530   6.7420  2708.10   41.274  2648.33   57.098  2773.50   59.732  874.627   9.4324  895.048   9.6423 -20.42157 13.48867 
1 1 1    3   37    7 o  551.396   6.0331  1052.35   23.024  1031.32   27.175  1105.85   43.342  545.835   7.1935  565.106   11.081 -19.27100 13.21154 
1 1 1    3   37    8 o  536.544   5.7239  996.437   21.256  936.586   25.528  1131.71   38.379  520.152   7.0912  571.692   9.6996 -51.54034 12.01527 
1 1 1    3   37    9 o  266.806   5.6689  246.404   10.468  268.390   22.987  240.651   11.758  278.336   11.933  263.663   6.4434 14.67227 13.56113 
1 1 1    3   37   10 o  728.194   8.7591  1836.44   44.145  1826.34   62.004  1846.83   62.866  725.912   12.341  729.963   12.443 -4.050903 17.52551 
1 1 1    3   37   11 o  418.079   10.720  605.854   31.020  605.854   31.020   0.0000   0.0000  418.079   10.720  ?   ?  0.000000 10.72024 
1 1 1    3   37   12 o  241.810   8.3616  202.623   13.994  193.561   19.886  211.512   19.696  235.845   12.225  246.906   11.526 -11.06168 16.80140 
1 1 1    3   37   13 o  388.178   7.5315  522.202   20.234  521.951   29.020  522.439   28.228  387.787   10.813  388.000   10.512 -0.2128906 15.07998 
1 1 1    3   37   14 o  276.240   8.1835  264.653   15.646  273.805   22.785  256.488   21.522  280.651   11.730  271.660   11.447 8.990753 16.38989 
1 1 1    3   37   15 o   85.701   19.562   26.827   11.348   36.029   16.566   18.693   15.576   98.903   24.361   74.870   25.302 24.03265 35.12311 
1 1 1    3   37   16 o  190.132   10.105  126.123   13.250  121.610   17.888  131.610   19.722  185.992   13.998  193.346   14.852 -7.353226 20.40887 
1 1 1    3   37   17 o   64.663   26.514   6.2634   18.955   0.0000   0.0000   6.2634   18.955  ?   ?    64.663   26.514 0.000000 26.51367 
1 1 1    3   37   18 o   91.995   19.933   31.345   12.325   25.615   17.141   37.478   17.734   83.719   26.442   99.528   25.599 -15.80886 36.80314 
1 1 1    3   39    0 o  608.819   5.4283  1282.83   22.873  1242.15   31.525  1328.05   33.238  599.058   7.6035  619.422   7.7529 -20.36450 10.85916 
1 1 1    3   39    1 o  620.578   5.4832  1332.87   23.551  1261.01   31.947  1418.41   34.855  603.586   7.6474  640.145   7.8669 -36.55865 10.97140 
1 1 1    3   39    2 o  620.739   5.4807  1333.56   23.546  1303.83   32.547  1366.21   34.107  613.748   7.6620  628.255   7.8439 -14.50726 10.96507 
1 1 1    3   39    3 o  448.790   4.9286  697.069   15.309  709.429   21.683  684.785   21.616  452.730   6.9201  444.796   7.0218 7.934418 9.858632 
1 1 1    3   39    4 o  1148.55   9.5186  4566.83   75.665  4517.24   91.899  4671.22  133.325  1142.18   11.625  1161.13   16.590 -18.95068 20.25780 
1 1 1    3   39    5 o  756.168   7.1078  1979.20   37.199  1902.93   63.435  2019.18   45.924  741.271   12.364  763.721   8.6882 -22.44977 15.11171 
1 1 1    3   39    6 o  945.085   7.0940  3091.78   46.403  3002.80   63.780  3191.85   67.636  931.264   9.8954  960.118   10.178 -28.85339 14.19568 
1 1 1    3   39    7 o  401.353   5.3420  557.542   14.839  494.146   22.231  608.490   19.929  377.794   8.5020  419.265   6.8678 -41.47076 10.92931 
1 1 1    3   39    8 o  1013.80   7.4766  3558.23   52.461  3492.67   72.788  3629.09   75.678  1004.22   10.473  1023.62   10.682 -19.40796 14.95936 
1 1 1    3   39    9 o  357.288   5.4985  441.883   13.597  418.215   15.347  528.293   29.324  347.571   6.3795  390.502   10.850 -42.93143 12.58630 
1 1 1    3   39   10 o  541.004   7.8367  1013.64   29.343  971.219   40.120  1062.44   43.028  529.365   10.950  553.646   11.229 -24.28021 15.68437 
1 1 1    3   39   11 o  751.249   8.9423  1955.76   46.495  1926.83   64.863  1986.34   66.684  745.167   12.577  756.561   12.735 -11.39392 17.89845 
1 1 1    3   39   12 o  196.678   9.5691  134.142   13.026  131.561   18.775  136.537   18.087  194.039   14.076  197.794   13.289 -3.755096 19.35808 
1 1 1    3   39   13 o  533.224   10.853  987.317   40.053   0.0000   0.0000  987.317   40.053  ?   ?   533.224   10.853 0.000000 10.85302 
1 1 1    3   39   14 o  365.558   7.5931  463.428   19.211  476.195   28.017  452.098   26.393  370.138   10.937  360.703   10.572 9.434967 15.21115 
1 1 1    3   39   15 o  212.699   8.9560  157.140   13.184  156.732   18.499  157.561   18.795  211.658   12.687  212.187   12.859 -0.5295105 18.06395 
1 1 1    3   39   16 o   79.766   25.132   22.683   15.493   22.683   15.493   0.0000   0.0000   79.766   25.132  ?   ?  0.000000 25.13238 
1 1 1    3   39   17 o  163.574   16.831   95.415   18.783   95.415   18.783   0.0000   0.0000  163.574   16.831  ?   ?  0.000000 16.83139 
1 1 1    3   39   18 o  210.108   14.245  156.293   20.593   0.0000   0.0000  156.293   20.593  ?   ?   210.108   14.245 0.000000 14.24515 
1 1 1    3   41    0 o  641.703   6.4955  1425.26   28.849  1400.49   49.111  1438.31   35.647  635.991   11.157  644.605   7.9902 -8.613770 13.72304 
1 1 1    3   41    1 o  611.109   5.4785  1292.53   23.172  1227.15   31.518  1369.44   34.184  595.415   7.6482  628.986   7.8524 -33.57074 10.96157 
1 1 1    3   41    2 o  1124.03   8.1465  4373.49   63.376  4219.52   86.414  4552.70   93.228  1103.91   11.310  1146.64   11.747 -42.72974 16.30718 
1 1 1    3   41    3 o  475.726   5.0219  783.271   16.535  761.762   22.797  807.150   24.019  469.121   7.0211  482.892   7.1867 -13.77090 10.04712 
1 1 1    3   41    4 o  356.502   4.9620  439.872   12.243  428.202   17.040  452.325   17.602  351.719   7.0001  361.490   7.0355 -9.770996 9.924661 
1 1 1    3   41    5 o  600.932   6.1980  1249.95   25.778  1172.19   41.469  1298.92   32.910  581.828   10.298  612.552   7.7625 -30.72345 12.89595 
1 1 1    3   41    6 o  889.049   7.8054  2736.33   48.028  2633.66   79.021  2796.48   60.481  871.900   13.095  898.670   9.7240 -26.76941 16.31040 
1 1 1    3   41    7 o  230.463   5.4572  183.842   8.7046  194.091   11.719  171.228   13.001  236.781   7.1510  222.381   8.4468 14.39923 11.06733 
1 1 1    3   41    8 o  631.824   6.4617  1381.99   28.257  1355.95   33.381  1447.81   53.074  625.794   7.7070  646.404   11.863 -20.60974 14.14690 
1 1 1    3   41    9 o  363.943   4.6467  458.485   11.705  445.820   15.994  473.091   17.175  358.839   6.4398  369.643   6.7134 -10.80444 9.302687 
1 1 1    3   41   10 o  566.626   7.9895  1112.19   31.332  1118.54   44.327  1105.85   44.294  567.955   11.277  564.720   11.333 3.234802 15.98733 
1 1 1    3   41   11 o  424.724   7.5972  625.001   22.333  579.512   30.437  678.049   32.869  408.729   10.759  442.116   10.742 -33.38715 15.20358 
1 1 1    3   41   12 o  163.819   15.852   94.341   17.748   0.0000   0.0000   94.341   17.748  ?   ?   163.819   15.852 0.000000 15.85177 
1 1 1    3   41   13 o  281.691   8.0400  275.184   15.675  283.220   22.815  268.000   21.573  285.450   11.548  277.708   11.224 7.741760 16.10386 
1 1 1    3   41   14 o  140.620   12.653   69.427   12.183   64.098   18.086   73.854   16.483  133.555   20.196  144.305   16.819 -10.75037 26.28274 
1 1 1    3   41   15 o  202.007   9.5976  141.883   13.419  145.024   19.112  138.829   18.845  203.295   13.662  198.864   13.777 4.431381 19.40234 
1 1 1    3   41   16 o   74.497   21.513   20.228   11.713   23.556   15.884   16.263   17.339   80.998   25.437   72.910   26.529 8.087959 36.75386 
1 1 1    3   41   17 o  122.986   15.576   54.143   12.961   54.341   17.525   53.902   19.256  121.447   21.643  120.197   23.987 1.249619 32.30794 
1 1 1    3   41   18 f   89.930   21.106   30.357   12.911   23.688   18.415   36.805   18.107   81.331   27.511   97.984   26.195 -16.65275 37.98725 
1 1 1    3   43    0 o  980.810   7.3530  3329.94   49.915  3239.19   68.742  3431.15   72.596  967.226   10.269  995.458   10.537 -28.23218 14.71296 
1 1 1    3   43    1 o  802.423   6.3957  2228.67   35.520  2164.45   48.950  2300.09   51.621  790.697   8.9448  815.089   9.1505 -24.39124 12.79609 
1 1 1    3   43    2 o  507.395   5.2249  891.053   18.349  861.280   25.224  924.513   26.740  498.812   7.3063  516.795   7.4760 -17.98279 10.45335 
1 1 1    3   43    3 o  160.096   8.9740   89.017   9.9036   77.744   11.279  126.976   20.696  149.432   10.982  190.764   15.818 -41.33191 19.25695 
1 1 1    3   43    4 o  331.128   5.1314  379.498   11.760  396.630   16.545  362.004   16.719  338.496   7.0621  323.377   7.4699 15.11862 10.27971 
1 1 1    3   43    5 o  817.048   7.4092  2311.02   41.898  2296.93   51.368  2339.02   72.420  814.476   9.1125  821.687   12.734 -7.211182 15.65887 
1 1 1    3   43    6 o  314.240   5.1423  341.790   11.184  351.097   15.863  332.591   15.770  318.459   7.1971  309.950   7.3515 8.509369 10.28796 
1 1 1    3   43    7 o  361.182   4.9707  451.542   12.426  433.748   16.792  473.078   18.474  353.958   6.8545  369.649   7.2208 -15.69028 9.956100 
1 1 1    3   43    8 o  235.622   5.2897  192.185   8.6264  185.474   11.296  201.577   13.362  231.443   7.0516  241.261   8.0023 -9.817795 10.66592 
1 1 1    3   43    9 o  388.401   5.2468  522.262   14.104  482.935   17.088  606.341   24.985  373.446   6.6111  418.352   8.6290 -44.90579 10.87042 
1 1 1    3   43   10 o  262.015   12.476  238.293   22.625  238.293   22.625   0.0000   0.0000  262.015   12.476  ?   ?  0.000000 12.47639 
1 1 1    3   43   11 o  133.808   13.885   62.912   12.672   29.522   17.458  100.098   18.423   90.652   26.290  168.812   15.957 -78.16026 30.75391 
1 1 1    3   43   12 o  262.181   8.3408  238.378   15.135  240.634   21.836  236.293   20.997  263.123   11.991  260.772   11.634 2.351196 16.70687 
1 1 1    3   43   13 o  226.188   9.1105  177.598   14.262  200.244   20.843  157.658   19.558  239.509   12.618  212.321   13.378 27.18857 18.38984 
1 1 1    3   43   14 o  129.970   13.532   59.573   11.994   45.371   17.246   72.878   16.692  111.172   23.165  143.160   17.190 -31.98815 28.84652 
1 1 1    3   43   15 o   60.319   21.327   11.387   11.116   24.898   16.099  -0.9224   15.367   83.073   25.530   53.158   22.932 29.91536 34.31665 
1 1 1    3   43   16 o  105.868   17.436   40.584   12.331   22.580   16.072   66.341   19.224   79.623   25.653  134.842   21.307 -55.21965 33.34772 
1 1 1    3   43   17 o   51.174   22.875  -5.6634   16.583   0.0000   0.0000  -5.6634   16.583  ?   ?    51.174   22.875 0.000000 22.87471 
1 1 1    3   45    0 o  546.701   5.3839  1034.48   20.371  981.586   27.702  1096.77   30.062  532.496   7.5164  562.868   7.7167 -30.37225 10.77240 
1 1 1    3   45    1 o  575.972   6.3336  1148.30   25.248  1036.10   41.001  1216.84   32.044  546.978   10.830  592.873   7.8093 -45.89526 13.35229 
1 1 1    3   45    2 f  428.274   5.8904  634.872   17.460  633.018   21.426  638.537   30.123  427.624   7.2395  429.415   10.136 -1.791260 12.45550 
1 1 1    3   45    3 o  559.980   5.4068  1085.37   20.955  1066.30   28.987  1106.24   30.329  554.988   7.5464  565.280   7.7520 -10.29193 10.81858 
1 1 1    3   45    4 o  566.295   5.3902  1110.01   21.126  1084.59   29.255  1137.70   30.540  559.717   7.5520  573.254   7.6975 -13.53754 10.78350 
1 1 1    3   45    5 o  314.981   5.8196  343.428   12.687  327.463   19.724  354.694   16.569  307.507   9.2675  320.077   7.4795 -12.56961 11.90924 
1 1 1    3   45    6 f  164.139   6.9528   93.276   7.8986   84.932   10.886  102.552   11.478  156.258   10.121  171.796   9.6925 -15.53777 14.01326 
1 1 1    3   45    7 o  706.658   6.9938  1729.08   34.206  1690.73   59.481  1748.03   41.811  698.356   12.306  710.422   8.5035 -12.06604 14.95833 
1 1 1    3   45    8 o  528.903   5.8258  968.544   21.326  976.678   26.521  953.658   35.875  531.048   7.2156  524.575   9.8812 6.473267 12.23536 
1 1 1    3   45    9 f   98.683   10.031   34.111   6.7561   33.936   7.2602   35.244   18.452   98.325   10.849   98.594   26.480 -0.2687988 28.61603 
1 1 1    3   45   10 o  620.777   5.4278  1334.49   23.321  1263.42   31.518  1420.47   34.667  603.830   7.5417  640.227   7.8236 -36.39801 10.86671 
1 1 1    3   45   11 o  313.147   8.0901  339.978   17.534  322.146   25.407  356.195   24.229  304.479   12.056  320.283   10.930 -15.80408 16.27324 
1 1 1    3   45   12 o  151.954   12.003   80.797   12.521   60.780   17.598  101.317   17.818  130.143   20.192  169.740   15.332 -39.59711 25.35334 
1 1 1    3   45   13 o  312.000   7.9003  337.758   17.060  328.098   24.098  347.463   24.154  307.076   11.339  316.053   11.042 -8.976898 15.82720 
1 1 1    3   45   14 o  212.995   13.588  159.122   19.926  159.122   19.926   0.0000   0.0000  212.995   13.588  ?   ?  0.000000 13.58772 
1 1 1    3   45   15 o  187.664   10.302  123.055   13.330  118.195   17.953  129.024   19.899  183.098   14.280  191.129   15.167 -8.031357 20.83177 
1 1 1    3   45   16 o  166.698   17.150   99.317   19.504   0.0000   0.0000   99.317   19.504  ?   ?   166.698   17.150 0.000000 17.15002 
1 1 1    3   45   17 o   87.497   21.261   28.724   12.748  -3.2122   18.060   60.439   17.998   55.152   24.304  127.911   21.063 -72.75873 32.16096 
1 1 1    3   47    0 o  114.512   10.804   45.821   8.4615   54.242   11.721   36.656   12.228  124.342   13.855  101.279   18.109 23.06258 22.80140 
1 1 1    3   47    1 o  442.367   6.0168  677.377   18.421  674.345   22.579  683.415   31.859  441.346   7.3916  444.216   10.362 -2.870636 12.72852 
1 1 1    3   47    2 o  717.027   6.0500  1779.68   30.024  1765.47   42.054  1794.45   42.880  714.060   8.5093  719.893   8.6061 -5.833069 12.10259 
1 1 1    3   47    3 o  456.071   5.1996  719.961   16.413  695.981   22.558  746.938   23.925  448.363   7.2692  464.482   7.4423 -16.11887 10.40333 
1 1 1    3   47    4 o  178.531   7.9985  110.364   9.8832   97.805   14.839  120.376   13.249  167.493   12.900  186.131   10.325 -18.63771 16.52358 
1 1 1    3   47    5 o  549.924   5.3249  1046.84   20.267  1035.48   28.249  1058.90   29.094  546.852   7.4637  552.995   7.6015 -6.143616 10.65314 
1 1 1    3   47    6 o  470.640   6.1446  766.884   20.015  777.561   35.905  762.071   24.108  473.661   10.953  469.109   7.4254 4.551392 13.23233 
1 1 1    3   47    7 f  273.161   5.3995  258.332   10.208  249.677   13.817  268.735   15.148  268.492   7.4352  278.538   7.8578 -10.04498 10.81793 
1 1 1    3   47    8 o   74.893   12.685   20.005   6.3403   23.225   7.9283   14.292   10.560   80.506   14.773   64.811   20.785 15.69446 25.50024 
1 1 1    3   47    9 o  305.175   4.8563  322.461   10.257  309.140   13.671  339.620   15.516  298.737   6.6119  313.092   7.1602 -14.35443 9.746086 
1 1 1    3   47   10 o  184.244   5.6100  117.572   7.1537  110.439   9.9366  125.248   10.307  178.486   8.0437  190.085   7.8347 -11.59917 11.22873 
1 1 1    3   47   11 o  278.769   5.6628  269.211   10.926  269.951   22.647  268.987   12.474  278.668   11.742  278.608   6.4687 0.5993652E-01 13.40593 
1 1 1    3   47   12 o  288.893   7.9647  289.543   15.925  285.561   22.273  293.707   22.778  286.545   11.231  290.591   11.326 -4.046204 15.95013 
1 1 1    3   47   13 o  152.834   11.863   81.858   12.450   91.707   18.002   72.829   17.237  160.956   16.389  142.935   17.810 18.02116 24.20311 
1 1 1    3   47   14 o   94.415   18.821   32.539   11.867   30.366   16.889   34.659   16.679   90.691   25.721   96.559   24.821 -5.868065 35.74427 
1 1 1    3   47   15 o  203.591   10.405  144.899   14.613  120.390   19.796  174.244   21.662  184.303   15.668  222.399   14.146 -38.09671 21.10923 
1 1 1    3   47   16 o  110.340   16.890   44.092   12.488   39.346   17.877   48.615   17.452  101.872   25.433  114.127   22.891 -12.25488 34.21785 
1 1 1    3   49    0 o  208.332   6.7709  150.261   9.7629  157.325   13.376  142.206   14.282  213.137   9.0675  202.358   10.231 10.77950 13.67084 
1 1 1    3   49    1 o  537.269   5.4320  999.201   20.199  1024.08   28.755  974.964   28.380  543.844   7.6394  530.638   7.7275 13.20605 10.86619 
1 1 1    3   49    2 o   27.477   13.296 -12.8200   7.7522 -21.0376   10.567  -3.2410   11.408   30.320   14.859   43.988   19.353 -13.66832 24.39920 
1 1 1    3   49    3 o  257.383   5.8586  229.333   10.436  225.706   14.411  233.334   15.135  255.295   8.1557  259.567   8.4246 -4.271957 11.72562 
1 1 1    3   49    4 o  513.769   5.2926  913.756   18.820  886.846   25.980  943.468   27.299  506.065   7.4175  521.964   7.5566 -15.89877 10.58873 
1 1 1    3   49    5 o  295.944   6.2558  303.251   12.814  306.806   15.180  294.439   23.900  297.642   7.3687  291.407   11.850 6.234894 13.95424 
1 1 1    3   49    6 o  389.608   5.9447  525.598   16.030  520.719   18.912  538.049   30.211  387.750   7.0470  393.915   11.081 -6.164886 13.13213 
1 1 1    3   49    7 o  433.593   5.6479  650.996   16.949  648.756   21.053  655.122   28.572  432.773   7.0289  434.721   9.4964 -1.947662 11.81465 
1 1 1    3   49    8 o  237.598   7.1724  195.587   11.795  154.781   21.731  212.627   14.043  210.423   15.020  247.689   8.1918 -37.26570 17.10885 
1 1 1    3   49    9 o  132.157   7.1305   60.698   6.4979   47.276   8.2071   83.247   10.637  116.263   10.306  154.573   9.9967 -38.30959 14.35801 
1 1 1    3   49   10 o  182.052   6.6000  114.853   8.3161  119.786   9.1612   91.756   19.823  185.900   7.1203  161.014   18.102 24.88554 19.45163 
1 1 1    3   49   11 o  213.601   5.2282  158.053   7.7291  162.293   19.225  157.235   8.4414  215.495   12.950  213.026   5.7254 2.468948 14.15906 
1 1 1    3   49   12 o  178.386   10.784  111.097   13.251  116.878   18.821  105.415   18.660  182.244   15.057  172.871   15.770 9.372925 21.80324 
1 1 1    3   49   13 o  177.564   10.719  110.180   13.111  120.585   18.599   99.902   18.484  185.040   14.642  167.997   16.094 17.04326 21.75837 
1 1 1    3   49   14 o   92.124   19.770   31.206   12.228   44.600   17.986   19.693   16.675  109.424   24.374   76.408   26.178 33.01596 35.76830 
1 1 1    3   49   15 o  205.813   14.372  149.658   20.343   0.0000   0.0000  149.658   20.343  ?   ?   205.813   14.372 0.000000 14.37155 
1 1 1    3   49   16 o   81.431   22.005   24.868   12.697   35.220   18.445   15.546   17.503   95.970   26.762   71.375   26.538 24.59515 37.68893 
1 1 1    3   51    0 f  349.011   6.1262  421.726   14.798  432.875   17.977  398.293   26.062  353.558   7.3466  338.994   11.108 14.56403 13.31770 
1 1 1    3   51    1 o   50.333   18.302   7.1664   8.2503  -6.7719   11.157   23.986   12.256   40.404   18.347   81.548   21.433 -41.14398 28.21318 
1 1 1    3   51    2 o  377.745   5.2889  493.978   13.828  520.044   19.674  468.534   19.438  387.517   7.3355  367.814   7.6356 19.70285 10.58834 
1 1 1    3   51    3 o  431.658   6.1147  645.149   18.268  601.951   31.119  667.863   22.565  416.719   10.790  439.135   7.4245 -22.41599 13.09726 
1 1 1    3   51    4 o  227.208   6.1241  178.753   9.6304  191.197   13.370  165.333   13.884  234.927   8.2226  218.432   9.1837 16.49570 12.32689 
1 1 1    3   51    5 o  138.385   8.5738   66.612   8.1713   62.113   10.993   72.168   12.215  133.259   12.050  143.682   12.405 -10.42342 17.29393 
1 1 1    3   51    6 o  111.610   10.840   43.616   8.2679   36.789   9.9564   58.780   14.839  101.875   14.533  128.844   17.060 -26.96962 22.41103 
1 1 1    3   51    7 o  440.099   5.0853  670.671   15.490  669.666   21.647  671.725   22.174  439.642   7.1142  440.305   7.2763 -0.6632080 10.17627 
1 1 1    3   51    8 o  188.877   6.8118  123.609   8.9047  106.829   12.304  142.062   12.903  175.159   10.194  202.380   9.2119 -27.22098 13.73942 
1 1 1    3   51    9 o  195.274   5.7261  132.094   7.7389  117.355   10.017  153.918   12.189  183.973   7.8669  210.665   8.3597 -26.69252 11.47921 
1 1 1    3   51   10 o  262.415   4.9173  238.513   8.9309  225.340   11.888  255.576   13.531  254.966   6.7370  271.501   7.2006 -16.53508 9.860794 
1 1 1    3   51   11 o  186.598   5.1552  120.632   6.6578  114.897   8.6918  128.774   10.357  182.026   6.8992  192.652   7.7674 -10.62608 10.38898 
1 1 1    3   51   12 o  218.424   13.359  167.219   20.098  167.219   20.098   0.0000   0.0000  218.424   13.359  ?   ?  0.000000 13.35864 
1 1 1    3   51   13 o  213.710   9.7719  158.972   14.454  156.049   21.199  161.512   19.758  210.490   14.643  214.466   13.378 -3.976013 19.83367 
1 1 1    3   51   14 o  100.864   22.590   37.854   15.378   0.0000   0.0000   37.854   15.378  ?   ?   100.864   22.590 0.000000 22.58990 
1 1 1    3   51   15 o  171.727   11.719  103.771   13.846  114.146   20.631   95.268   18.676  178.612   16.890  163.077   16.787 15.53519 23.81322 
1 1 1    3   53    0 o  384.141   5.3160  510.895   14.134  529.356   19.911  492.144   20.066  390.936   7.3588  376.929   7.6917 14.00674 10.64493 
1 1 1    3   53    1 o  770.566   6.3413  2056.18   33.819  2061.72   47.805  2050.62   47.850  771.345   8.9547  769.261   8.9874 2.083801 12.68702 
1 1 1    3   53    2 o  185.406   8.2053  119.099   10.529  118.293   16.940  119.606   13.441  184.116   13.386  185.435   10.516 -1.318466 17.02223 
1 1 1    3   53    3 o  310.466   5.4859  333.748   11.788  318.018   16.351  350.770   17.010  302.975   7.7977  318.198   7.7237 -15.22238 10.97543 
1 1 1    3   53    4 f  351.992   6.3034  429.102   15.356  447.220   27.716  421.076   18.446  359.040   11.154  348.619   7.6451 10.42108 13.52227 
1 1 1    3   53    5 f  242.807   8.1109  204.316   13.630  204.316   13.630   0.0000   0.0000  242.807   8.1109  ?   ?  0.000000 8.110901 
1 1 1    3   53    6 o  176.545   8.1223  108.036   9.9246  110.637   11.499  100.439   19.651  178.368   9.3470  168.919   17.041 9.449005 19.43642 
1 1 1    3   53    7 o  248.770   5.6017  214.350   9.6449  214.266   13.158  214.447   14.179  248.627   7.6465  248.699   8.2375 -0.7220459E-01 11.23947 
1 1 1    3   53    8 o  515.893   7.0017  922.457   25.000  894.146   33.815  956.585   37.127  507.563   9.6259  524.887   10.220 -17.32428 14.03943 
1 1 1    3   53    9 o  225.013   7.1991  175.545   11.211  188.488   22.268  171.150   12.976  232.150   13.924  222.100   8.4414 10.05017 16.28274 
1 1 1    3   53   10 o  219.049   5.3564  166.250   8.1207  173.262   10.805  157.147   12.311  223.526   6.9842  212.782   8.3593 10.74373 10.89300 
1 1 1    3   53   11 o  195.045   5.6486  131.857   7.6253  138.357   9.6134  120.829   12.522  199.713   6.9549  186.167   9.7520 13.54543 11.97801 
1 1 1    3   53   12 o   80.817   21.063   24.034   11.901   22.327   18.292   25.288   15.672   80.925   27.419   83.425   25.097 -2.500618 37.17099 
1 1 1    3   53   13 o  145.200   13.105   74.397   13.028   82.000   21.025   69.659   16.599  150.442   20.744  139.371   17.601 11.07103 27.20469 
1 1 1    3   53   14 o  101.563   18.317   37.719   12.402   38.346   19.066   37.259   16.329  100.518   26.883   99.528   23.987 0.9902039 36.02871 
1 1 1    3   55    0 o  538.348   5.4699  1003.56   20.381  1011.19   28.669  995.766   28.979  540.228   7.6675  536.079   7.8106 4.148621 10.94516 
1 1 1    3   55    1 o  503.755   7.5149  879.231   26.201  895.610   36.826  862.439   37.287  508.141   10.471  498.605   10.805 9.536041 15.04613 
1 1 1    3   55    2 o  189.071   7.0138  123.840   9.1782  108.142   12.424  142.698   13.617  176.281   10.227  202.857   9.6988 -26.57677 14.09497 
1 1 1    3   55    3 o  344.492   5.3340  410.950   12.718  421.496   18.003  400.444   17.968  348.776   7.4580  339.944   7.6369 8.832001 10.67441 
1 1 1    3   55    4 o  332.380   8.0793  382.926   18.586  372.585   25.383  394.878   27.290  327.621   11.194  337.232   11.692 -9.611664 16.18700 
1 1 1    3   55    5 o   85.611   13.579   26.108   7.7772   36.884   10.558   13.324   11.500  101.780   15.475   64.039   21.740 37.74019 26.68528 
1 1 1    3   55    6 o  146.988   8.0153   75.131   8.1233   65.635   10.989   86.570   12.062  136.947   11.707  157.487   11.138 -20.53957 16.15846 
1 1 1    3   55    7 o  105.259   11.283   38.938   8.0914   33.990   11.798   43.332   11.118   97.037   18.236  110.518   14.916 -13.48066 23.55975 
1 1 1    3   55    8 o  347.357   5.1592  417.955   12.403  411.121   16.846  426.045   18.329  344.355   7.0684  350.503   7.5555 -6.148041 10.34643 
1 1 1    3   55    9 o  207.287   5.8988  148.913   8.4627  156.813   11.443  139.378   12.572  212.598   7.7771  200.339   9.0672 12.25905 11.94565 
1 1 1    3   55   10 o  293.661   5.0219  298.796   10.207  313.459   14.149  282.886   14.738  300.625   6.8002  285.523   7.4582 15.10205 10.09294 
1 1 1    3   55   11 o  173.439   6.8961  104.379   8.2781  110.157   9.2269   80.537   18.742  178.133   7.4840  150.056   18.434 28.07689 19.89515 
1 1 1    3   55   12 o  132.313   7.0153   60.949   6.4014   79.756   20.203   58.850   6.7491  148.588   20.166  129.947   7.5366 18.64076 21.52872 
1 1 1    3   55   13 o   55.978   23.158   3.8800   14.630   0.0000   0.0000   3.8800   14.630  ?   ?    55.978   23.158 0.000000 23.15831 
1 1 1    3   55   14 o  141.765   14.181   71.551   13.727   64.488   19.501   78.488   19.326  131.896   22.147  146.807   19.503 -14.91060 29.51031 
1 1 1    3   57    0 o  381.193   5.3322  503.212   14.068  500.375   19.678  506.177   20.120  379.983   7.4823  382.171   7.6065 -2.187500 10.66975 
1 1 1    3   57    1 o  358.618   5.2990  445.375   13.152  456.389   18.427  433.935   18.779  362.905   7.3363  353.842   7.6679 9.062622 10.61218 
1 1 1    3   57    2 o   26.261   12.810 -14.0241   7.5858  -6.5115   10.189 -23.3650   11.362   38.267   17.437   31.048   15.255 7.218744 23.16805 
1 1 1    3   57    3 o  179.225   7.3925  111.327   9.1700  120.727   12.571  100.639   13.405  186.276   9.7852  169.840   11.471 16.43591 15.07789 
1 1 1    3   57    4 o  292.528   6.3745  296.486   12.906  299.612   15.853  290.341   22.224  293.979   7.7915  289.128   11.106 4.851074 13.56651 
1 1 1    3   57    5 o  131.552   11.213   60.561   10.111   66.098   18.568   58.226   12.056  135.864   20.374  128.606   13.758 7.258453 24.58448 
1 1 1    3   57    6 o   91.644   12.059   29.708   7.4630   32.179   10.304   26.981   10.823   94.684   16.313   86.149   18.690 8.534645 24.80774 
1 1 1    3   57    7 o  423.997   5.1782  622.763   15.196  633.907   21.362  611.348   21.620  427.564   7.2189  419.861   7.4400 7.703278 10.36660 
1 1 1    3   57    8 o  379.979   5.1727  500.233   13.604  490.918   18.575  511.007   19.978  376.228   7.1336  383.802   7.5209 -7.573608 10.36592 
1 1 1    3   57    9 o  288.225   5.2668  287.875   10.506  307.240   14.498  266.457   15.247  297.603   7.0389  277.055   7.9512 20.54773 10.61922 
1 1 1    3   57   10 o  242.635   10.433  204.976   17.520   0.0000   0.0000  204.976   17.520  ?   ?   242.635   10.433 0.000000 10.43293 
1 1 1    3   57   11 o   97.342   8.9953   33.238   5.9917   38.062   7.8648   26.566   9.2498  103.884   11.111   85.544   16.217 18.34023 19.65792 
1 1 1    3   57   12 o   68.674   16.359   17.300   7.6648   0.0000   0.0000   17.300   7.6648  ?   ?    68.674   16.359 0.000000 16.35949 
1 1 1    3   57   13 o  151.454   13.569   81.316   14.072   76.829   21.674   84.585   18.503  144.278   22.434  153.224   17.778 -8.946213 28.62377 
1 1 1    3   59    0 o  270.423   5.8541  253.333   10.957  252.319   15.738  254.287   15.263  269.729   8.4303  270.799   8.1439 -1.069519 11.72144 
1 1 1    3   59    1 o   73.256   16.435   19.460   8.1277   12.767   11.094   27.214   11.942   62.722   21.353   86.425   20.308 -23.70328 29.46777 
1 1 1    3   59    2 o  142.306   9.0376   70.543   8.8552   62.894   12.169   79.153   12.910  133.785   13.320  150.350   12.520 -16.56590 18.28007 
1 1 1    3   59    3 o   97.526   13.955   33.786   9.1508   42.193   11.064   15.585   16.280  109.002   15.069   71.811   25.765 37.19076 29.84769 
1 1 1    3   59    4 o  489.030   5.3484  828.425   18.102  825.757   25.375  831.189   25.832  488.004   7.5129  489.592   7.6234 -1.588043 10.70327 
1 1 1    3   59    5 o  243.352   5.9204  205.206   9.9716  223.005   14.212  187.950   13.994  253.540   8.0992  232.718   8.6883 20.82195 11.87785 
1 1 1    3   59    6 f  344.785   5.9464  411.977   14.190  449.317   24.228  392.480   17.507  359.633   9.7337  336.381   7.5197 23.25201 12.30004 
1 1 1    3   59    7 o   97.104   11.395   33.264   7.5127   25.168   10.172   42.981   11.144   83.090   18.192  109.896   15.047 -26.80589 23.60804 
1 1 1    3   59    8 f  225.325   6.9230  176.122   10.796  189.449   12.587  139.024   21.000  233.620   7.7847  198.676   15.392 34.94406 17.24907 
1 1 1    3   59    9 o  252.702   6.2210  221.471   10.880  224.219   13.336  216.000   18.818  254.130   7.5819  248.995   10.920 5.135025 13.29371 
1 1 1    3   59   10 o  124.581   13.437   54.939   11.402   0.0000   0.0000   54.939   11.402  ?   ?   124.581   13.437 0.000000 13.43679 
1 1 1    3   59   12 o   55.524   15.845   11.177   6.3888   11.269   6.9007   10.624   16.903   55.961   16.613   65.743   25.675 -9.781628 30.58106 
1 1 1    3   61    0 o   55.543   18.064   10.443   7.9568   16.263   11.085   4.2572   11.428   68.171   21.224   51.563   20.791 16.60844 29.71067 
1 1 1    3   61    1 o  265.642   5.8933  244.510   10.835  275.162   15.539  215.500   15.116  281.652   7.9712  249.194   8.7647 32.45865 11.84733 
1 1 1    3   61    2 o   91.368   13.661   29.720   8.3734   33.770   11.159   24.501   12.668   96.830   17.284   81.984   21.907 14.84636 27.90492 
1 1 1    3   61    3 o  156.624   9.1257   85.456   9.8495   99.273   11.889   55.220   17.587  168.720   10.229  123.551   21.338 45.16813 23.66375 
1 1 1    3   61    4 o  200.849   6.5514  139.848   9.1072  153.735   12.917  126.120   12.843  210.430   8.8688  190.280   9.7849 20.14984 13.20607 
1 1 1    3   61    5 o  249.981   6.4944  216.656   11.236  241.512   18.726  202.671   14.046  263.563   10.265  241.627   8.3991 21.93643 13.26362 
1 1 1    3   61    6 o  316.120   6.4893  346.520   14.198  363.512   26.404  339.609   16.840  323.026   11.810  312.814   7.7780 10.21188 14.14135 
1 1 1    3   61    7 o  229.285   6.0733  182.280   9.6378  188.147   13.526  176.228   13.736  232.741   8.3968  225.206   8.8128 7.534882 12.17259 
1 1 1    3   61    8 o   70.486   15.608   18.104   7.4134   28.573   9.9675   5.1450   11.090   88.731   16.847   51.801   20.620 36.92965 26.62733 
1 1 1    3   61    9 o  288.010   5.4729  287.613   10.909  275.044   14.805  302.545   16.138  281.393   7.6017  295.082   7.9017 -13.68832 10.96462 
1 1 1    3   61   10 o  200.284   6.1930  139.210   8.5847  141.583   11.711  136.454   12.621  201.746   8.3874  197.953   9.2119 3.792847 12.45825 
1 1 1    3   61   11 o   90.187   11.570   28.922   7.0552   27.210   9.5718   30.958   10.440   86.276   16.633   92.075   17.008 -5.798561 23.78942 
1 1 1    3   63    0 f  252.313   6.0644  220.656   10.590  236.872   14.874  203.984   15.081  261.246   8.2264  242.365   8.9907 18.88187 12.18630 
1 1 1    3   63    1 o  207.820   8.0218  149.877   11.538  141.951   20.430  153.589   13.981  201.051   14.786  210.250   9.6081 -9.199142 17.63339 
1 1 1    3   63    2 o  227.023   6.4197  178.683   10.087  211.183   14.295  146.455   14.235  246.649   8.3740  205.263   10.020 41.38651 13.05870 
1 1 1    3   63    3 o  219.613   6.3198  167.210   9.6059  181.340   13.474  152.606   13.698  228.533   8.5187  209.566   9.4442 18.96643 12.71859 
1 1 1    3   63    4 o  179.507   7.1904  111.789   8.9333  113.493   12.560  110.045   12.708  180.372   10.102  177.561   10.386 2.810898 14.48857 
1 1 1    3   63    5 o  156.956   8.0131   85.756   8.6758   89.488   12.336   82.104   12.203  159.904   11.218  153.069   11.605 6.835175 16.14087 
1 1 1    3   63    6 o  116.408   10.218   47.522   8.1493   60.523   11.765   35.531   11.299  130.979   13.156   99.187   17.075 31.79179 21.55549 
1 1 1    3   63    7 o  258.274   5.8819  231.323   10.514  243.412   15.006  219.663   14.737  264.676   8.1915  251.398   8.4695 13.27847 11.78277 
1 1 1    3   63    8 f  205.476   6.4292  146.511   9.1432  130.210   12.596  164.667   13.293  193.404   9.4098  217.570   8.8279 -24.16586 12.90253 
1 1 1    3   63    9 o  197.990   7.6020  136.246   10.417  143.814   12.152  115.268   20.232  203.286   8.6368  179.984   16.423 23.30168 18.55532 
1 1 1    3   63   10 o  106.174   11.095   39.843   8.0325   39.737   11.146   39.957   11.586  104.922   15.842  105.047   16.478 -0.1248322 22.85848 
1 1 1    3   65    0 o  335.678   5.5786  390.549   12.960  416.853   18.460  364.980   18.201  346.551   7.6964  324.219   8.1109 22.33197 11.18130 
1 1 1    3   65    1 o  141.858   10.263   70.373   10.008   70.134   12.153   70.878   17.642  141.248   12.563  140.731   18.566 0.5172119 22.41735 
1 1 1    3   65    2 o   76.304   15.947   21.158   8.1504   24.546   11.652   17.912   11.405   81.756   20.600   70.797   21.435 10.95911 29.72921 
1 1 1    3   65    3 o  126.022   9.4982   55.536   8.2236   45.755   11.444   65.979   11.825  113.361   14.951  136.926   12.620 -23.56553 19.56511 
1 1 1    3   65    4 o   60.676   19.151   12.860   8.9927   4.7274   10.869   30.502   16.010   50.921   20.367   90.822   24.780 -39.90160 32.07587 
1 1 1    3   65    5 o   64.778   17.084   15.305   7.7691   18.607   11.123   12.158   10.856   71.700   21.040   61.158   21.113 10.54119 29.80688 
1 1 1    3   65    6 o  237.218   6.2647  195.227   10.285  220.622   14.915  172.202   14.202  251.900   8.5552  222.462   9.2242 29.43733 12.58087 
1 1 1    3   65    7 o  194.931   9.9524  132.751   13.383  133.219   21.167  132.439   17.273  193.865   15.916  194.073   12.933 -0.2082062 20.50842 
1 1 1    3   65    8 o  101.605   11.462   36.537   7.9193   47.628   10.882   24.051   11.546  115.656   13.872   80.521   20.626 35.13530 24.85702 
1 1 1    3   65    9 o  224.790   6.2996  175.487   9.8010  171.995   13.202  179.775   14.629  222.206   8.5842  227.044   9.3098 -4.838211 12.66332 
1 1 1    3   67    2 o  262.948   6.0791  239.806   11.063  281.630   16.199  203.242   15.146  284.693   8.2211  241.744   9.0525 42.94925 12.22842 
1 1 1    3   67    3 o  130.604   10.751   59.850   9.6322   52.244   15.572   64.563   12.259  120.043   19.405  135.217   13.270 -15.17413 23.50848 
1 1 1    3   67    5 o   52.647   19.574   7.7188   9.5227  -5.8124   11.260   41.707   17.845   40.988   18.539  105.526   24.845 -64.53845 30.99992 
1 1 1    3   67    6 o  109.992   12.431   42.876   9.2972   50.174   11.722   30.498   15.266  118.610   14.586   90.317   24.009 28.29322 28.09262 
1 1 1    3   69    0 o  258.139   9.0022  231.893   16.083  231.893   16.083   0.0000   0.0000  258.139   9.0022  ?   ?  0.000000 9.002189 
1 1 1    3   69    1 o  184.922   7.6749  118.825   9.8229  128.390   14.170  109.976   13.629  191.554   10.731  177.156   11.173 14.39777 15.49171 
1 1 1    3   69    2 o  154.919   9.7217   83.936   10.371  100.781   17.586   74.954   12.842  168.609   15.234  145.767   12.861 22.84244 19.93689 
1 1 1    3   69    3 o  133.415   11.377   62.625   10.405   75.171   19.422   57.575   12.322  144.009   20.029  127.279   14.232 16.72960 24.57026 
1 1 1    3   69    4 o  177.462   7.4970  109.462   9.2082  117.267   13.068  101.764   12.977  183.032   10.358  170.322   11.069 12.71053 15.15948 
1 1 1    3   69    5 o  176.578   7.3981  108.394   9.0414  114.626   13.021  102.591   12.564  180.880   10.445  171.044   10.667 9.837006 14.92912 
1 1 1    3   71    0 o   79.622   16.257   23.196   8.6558   25.226   12.119   21.083   12.367   82.318   21.157   75.712   22.176 6.606667 30.64937 
1 1 1    3   71    2 o   91.888   13.970   30.349   8.6044   44.755   12.113   15.674   12.225  111.393   16.185   67.280   22.415 44.11314 27.64745 
1 1 1    4    0    0 f  2051.78   19.454 14575.47  276.204 14575.47  276.204 14575.47  276.204  2051.78   19.454  2051.78   19.454 0.000000 0.000000 
1 1 1    4    0    1 o  3103.76   29.088 33362.45  624.733 33362.45  624.733 33362.45  624.733  3103.76   29.088  3103.76   29.088 0.000000 0.000000 
1 1 1    4    0    2 o  2494.04   23.490 21538.73  405.391 21538.73  405.391 21538.73  405.391  2494.04   23.490  2494.04   23.490 0.000000 0.000000 
1 1 1    4    0    3 o  674.672   7.5380  1575.84   35.189  1575.84   35.189  1575.84   35.189  674.672   7.5380  674.672   7.5380 0.000000 0.000000 
1 1 1    4    0    4 o  2455.22   23.151 20874.68  393.324 20874.68  393.324 20874.68  393.324  2455.22   23.151  2455.22   23.151 0.000000 0.000000 
1 1 1    4    0    5 o  4032.47   37.679 56360.56  1051.38 56360.56  1051.38 56360.56  1051.38  4032.47   37.679  4032.47   37.679 0.000000 0.000000 
1 1 1    4    0    6 o  570.976   6.9499  1128.77   27.455  1128.77   27.455  1128.77   27.455  570.976   6.9499  570.976   6.9499 0.000000 0.000000 
1 1 1    4    0    7 o  894.043   13.316  2769.27   82.357  2769.27   82.357  2769.27   82.357  894.043   13.316  894.043   13.316 0.000000 0.000000 
1 1 1    4    0    8 o  952.917   9.9129  3144.80   65.362  3144.80   65.362  3144.80   65.362  952.917   9.9129  952.917   9.9129 0.000000 0.000000 
1 1 1    4    0    9 f  667.174   7.7538  1541.34   35.793  1541.34   35.793  1541.34   35.793  667.174   7.7538  667.174   7.7538 0.000000 0.000000 
1 1 1    4    0   10 o  200.484   6.7759  139.589   9.3778  139.589   9.3778  139.589   9.3778  200.484   6.7759  200.484   6.7759 0.000000 0.000000 
1 1 1    4    0   11 o  313.449   9.0444  340.927   19.584  340.927   19.584  340.927   19.584  313.449   9.0444  313.449   9.0444 0.000000 0.000000 
1 1 1    4    0   12 o  465.366   6.7880  750.034   21.853  750.034   21.853  750.034   21.853  465.366   6.7880  465.366   6.7880 0.000000 0.000000 
1 1 1    4    0   13 o  598.985   7.5895  1242.55   31.452  1242.55   31.452  1242.55   31.452  598.985   7.5895  598.985   7.5895 0.000000 0.000000 
1 1 1    4    0   14 o  355.355   9.7852  438.293   24.025  438.293   24.025  438.293   24.025  355.355   9.7852  355.355   9.7852 0.000000 0.000000 
1 1 1    4    0   15 o  610.174   7.7556  1289.96   32.741  1289.96   32.741  1289.96   32.741  610.174   7.7556  610.174   7.7556 0.000000 0.000000 
1 1 1    4    0   16 o  225.561   8.1391  177.006   12.669  177.006   12.669  177.006   12.669  225.561   8.1391  225.561   8.1391 0.000000 0.000000 
1 1 1    4    0   17 o   53.980   24.717   14.942   10.076   14.942   10.076   14.942   10.076   53.980   24.717   53.980   24.717 0.000000 0.000000 
1 1 1    4    0   18 o   43.579   23.502   9.7215   9.8483   9.7215   9.8483   9.7215   9.8483   43.579   23.502   43.579   23.502 0.000000 0.000000 
1 1 1    4    0   19 o  114.757   22.598   52.244   15.966   52.244   15.966   52.244   15.966  114.757   22.598  114.757   22.598 0.000000 0.000000 
1 1 1    4    0   20 o  214.403   12.479  164.195   18.375  164.195   18.375  164.195   18.375  214.403   12.479  214.403   12.479 0.000000 0.000000 
1 1 1    4    0   21 o   56.539   24.982   17.603   10.282   17.603   10.282   17.603   10.282   56.539   24.982   56.539   24.982 0.000000 0.000000 
1 1 1    4    0   22 o   43.760   23.914   11.992   10.325   11.992   10.325   11.992   10.325   43.760   23.914   43.760   23.914 0.000000 0.000000 
1 1 1    4    2    0 o  1643.12   11.152  9344.36  126.818  9217.91  176.718  9478.62  182.097  1631.84   15.647  1654.75   15.900 -22.90796 22.30764 
1 1 1    4    2    2 o  681.640   5.3490  1607.95   25.235  1594.33   35.434  1621.97   35.947  678.735   7.5430  684.592   7.5867 -5.856689 10.69831 
1 1 1    4    2    3 o  964.820   6.9792  3221.57   46.605  3264.38   66.749  3180.85   65.100  971.176   9.9305  958.672   9.8115 12.50397 13.95998 
1 1 1    4    2    4 f  1089.27   8.9320  4106.44   67.338  4155.81   83.503  4014.63  113.873  1095.76   11.011  1076.90   15.278 18.86169 18.83224 
1 1 1    4    2    5 o  3073.20   23.533 32715.52  500.546 33175.61  880.623 32495.93  608.379  3091.62   41.155  3062.14   28.706 29.48535 50.17765 
1 1 1    4    2    6 o  1881.08   12.704 12250.01  165.393 12182.89  232.478 12318.79  235.350  1875.54   17.909  1885.96   18.030 -10.42175 25.41331 
1 1 1    4    2    7 o  442.994   5.0960  679.198   15.624  718.049   27.641  660.956   18.940  455.431   8.7691  436.990   6.2624 18.44113 10.77563 
1 1 1    4    2    8 o  881.863   7.6294  2692.38   46.566  2719.19   57.533  2641.46   79.290  886.144   9.3807  873.115   13.121 13.02942 16.12948 
1 1 1    4    2    9 o  382.260   4.3523  505.722   11.515  508.412   16.376  503.091   16.195  383.254   6.1735  381.244   6.1376 2.010284 8.705302 
1 1 1    4    2   10 o  1123.91   8.0400  4372.53   62.541  4358.23   88.147  4387.04   88.749  1121.92   11.352  1125.62   11.392 -3.700195 16.08237 
1 1 1    4    2   11 o  154.605   5.8321   82.727   6.2405   78.660   8.8135   86.815   8.8375  150.507   8.4956  158.162   8.1005 -7.655380 11.73850 
1 1 1    4    2   12 o  896.436   7.8335  2781.59   48.602  2803.90   84.969  2770.74   59.252  899.799   13.644  894.632   9.5693 5.166992 16.66514 
1 1 1    4    2   13 o  699.824   5.8165  1695.14   28.172  1727.04   40.604  1665.52   39.121  706.312   8.3061  693.622   8.1491 12.68988 11.63611 
1 1 1    4    2   14 o  855.661   6.6179  2534.48   39.192  2513.65   55.077  2555.85   55.782  852.001   9.3402  859.121   9.3812 -7.120117 13.23805 
1 1 1    4    2   15 o  422.465   4.9938  617.792   14.602  624.949   20.672  610.665   20.628  424.850   7.0303  419.965   7.0967 4.885193 9.989426 
1 1 1    4    2   16 o  565.750   5.3377  1108.18   20.900  1110.76   29.598  1105.61   29.517  566.270   7.5520  564.957   7.5489 1.312805 10.67792 
1 1 1    4    2   17 o  372.003   5.7693  479.306   14.854  479.422   18.163  479.073   25.812  371.969   7.0551  371.589   10.036 0.3794250 12.26802 
1 1 1    4    2   18 f  284.122   6.2513  279.749   12.293  282.732   21.872  278.372   14.862  285.203   11.080  283.328   7.5792 1.874725 13.42465 
1 1 1    4    2   19 o  186.491   9.3000  120.862   12.004  115.171   16.467  127.317   17.536  181.189   13.222  190.522   13.383 -9.332764 18.81335 
1 1 1    4    2   20 o  160.535   8.6307   89.870   9.5542   76.146   16.692   96.557   11.652  146.094   16.814  166.175   10.180 -20.08118 19.65596 
1 1 1    4    2   21 o   70.960   15.129   18.413   7.2030   17.643   10.372   19.131   10.010   69.462   20.299   71.989   19.575 -2.527092 28.20013 
1 1 1    4    2   22 o  105.125   10.692   39.137   7.6713   42.603   11.181   36.055   10.544  108.502   15.315   99.503   15.842 8.998047 22.03491 
1 1 1    4    4    0 o  1410.00   9.6953  6880.72   94.614  7106.85  138.349  6682.04  129.681  1432.89   13.950  1389.42   13.485 43.47400 19.40288 
1 1 1    4    4    1 o  541.099   4.6202  1013.24   17.303  1002.93   24.288  1023.87   24.656  538.331   6.5187  543.922   6.5494 -5.591370 9.240562 
1 1 1    4    4    2 o  1076.58   7.6371  4011.21   56.906  4012.75   80.507  4009.67   80.447  1076.75   10.803  1076.34   10.799 0.4130859 15.27484 
1 1 1    4    4    3 o  2131.36   16.482 15726.17  243.127 15504.64  293.120 16214.63  435.253  2116.11   20.014  2163.36   29.069 -47.24805 35.29291 
1 1 1    4    4    4 o  2122.34   14.224 15592.22  208.938 15541.40  294.431 15643.77  296.544  2118.55   20.080  2125.52   20.158 -6.961182 28.45277 
1 1 1    4    4    5 o  1818.03   14.196 11442.15  178.621 11409.76  308.618 11458.47  219.036  1814.79   24.571  1819.16   17.397 -4.368286 30.10594 
1 1 1    4    4    6 o  115.262   7.1124   46.156   5.6461   0.0000   0.0000   46.156   5.6461  ?   ?   115.262   7.1124 0.000000 7.112371 
1 1 1    4    4    7 o  295.470   4.0694  302.142   8.3218  303.122   11.786  301.166   11.752  295.937   5.7541  294.980   5.7563 0.9565430 8.139073 
1 1 1    4    4    8 o  663.869   6.2532  1525.59   28.732  1538.05   49.767  1519.36   35.188  666.383   10.790  662.464   7.6746 3.918579 13.24140 
1 1 1    4    4    9 o  339.879   4.9753  399.813   11.704  408.498   14.417  383.024   20.043  343.540   6.0633  332.619   8.7066 10.92023 10.60983 
1 1 1    4    4   10 o  1002.58   8.4538  3479.46   58.661  3482.14   71.945  3474.15  101.320  1002.88   10.365  1001.51   14.617 1.376038 17.91920 
1 1 1    4    4   11 o  653.172   5.4763  1476.55   24.756  1503.26   35.555  1451.42   34.491  659.016   7.7951  647.554   7.6959 11.46216 10.95400 
1 1 1    4    4   12 f  1409.20   9.8050  6874.79   95.630  6889.23  135.576  6860.50  134.909  1410.40   13.889  1407.46   13.849 2.940918 19.61383 
1 1 1    4    4   13 o  657.887   5.6064  1498.04   25.528  1519.31   36.540  1477.77   35.678  662.482   7.9693  653.363   7.8899 9.119202 11.21426 
1 1 1    4    4   14 o  281.477   5.1532  274.232   10.039  286.877   14.462  262.473   13.947  287.865   7.2588  275.348   7.3184 12.51682 10.30774 
1 1 1    4    4   15 o  340.766   5.0305  401.955   11.864  421.093   16.931  383.490   16.631  348.739   7.0146  332.799   7.2203 15.94006 10.06665 
1 1 1    4    4   16 o  351.815   5.7332  428.572   13.960  424.095   17.011  437.805   24.429  349.922   7.0240  355.380   9.9321 -5.458405 12.16488 
1 1 1    4    4   17 o  277.700   5.3165  267.066   10.218  267.163   14.401  266.969   14.502  277.649   7.4940  277.545   7.5493 0.1039734 10.63731 
1 1 1    4    4   18 o  241.993   6.6462  202.980   11.131  222.098   19.998  194.397   13.399  252.736   11.432  236.724   8.1782 16.01149 14.05637 
1 1 1    4    4   19 o   78.493   16.018   22.355   8.4075   5.8244   15.225   29.607   10.084   59.299   23.967   90.494   16.717 -31.19488 29.22135 
1 1 1    4    4   20 f  204.518   7.2455  145.245   10.256  138.228   12.769  158.000   17.216  199.302   9.2571  212.401   11.757 -13.09979 14.96389 
1 1 1    4    4   21 o   38.186   16.654  -1.3559   8.2875   1.3230   10.407  -6.0000   13.702   45.803   19.281   45.725   20.588 0.7737732E-01 28.20695 
1 1 1    4    4   22 o  144.022   9.5388   72.856   9.4544   67.363   11.594   83.756   16.333  137.783   12.287  152.646   15.682 -14.86298 19.92272 
1 1 1    4    6    0 o  1708.73   11.578 10105.77  136.927 10231.48  196.248  9986.50  191.142  1719.18   16.493  1698.48   16.260 20.69849 23.16057 
1 1 1    4    6    1 o  730.497   5.6252  1846.72   28.440  1853.72   40.345  1839.81   40.097  731.865   7.9649  729.114   7.9459 2.751892 11.25061 
1 1 1    4    6    2 o  1413.50   11.222  6915.28  109.784  6766.81  131.398  7258.54  199.797  1398.19   13.578  1447.89   19.938 -49.70593 24.12224 
1 1 1    4    6    3 o  2047.84   13.743 14516.27  194.790 14245.59  269.722 14811.33  281.611  2028.40   19.213  2068.26   19.673 -39.85901 27.49802 
1 1 1    4    6    4 o  3201.49   21.202 35493.86  469.789 35410.01  662.640 35578.61  666.137  3196.59   29.951  3204.18   30.038 -7.587891 42.41874 
1 1 1    4    6    5 o  272.501   3.8437  256.977   7.2493  253.203   10.202  260.827   10.303  270.488   5.4496  274.530   5.4223 -4.042053 7.687636 
1 1 1    4    6    6 o  666.111   5.3738  1535.59   24.775  1538.71   35.143  1532.52   34.931  666.758   7.6155  665.416   7.5848 1.342163 10.74822 
1 1 1    4    6    7 o  1412.18   11.283  6906.16  110.280  6965.85  193.107  6877.27  134.342  1417.25   19.687  1408.98   13.776 8.265747 24.02817 
1 1 1    4    6    8 o  733.283   5.8111  1861.22   29.492  1841.33   41.251  1882.02   42.181  729.266   8.1727  737.273   8.2663 -8.007935 11.62434 
1 1 1    4    6    9 o  1195.87   9.7660  4951.54   80.831  5013.23  100.349  4837.56  136.401  1203.14   12.051  1181.45   16.681 21.69141 20.57884 
1 1 1    4    6   10 o  325.602   5.0906  366.918   11.472  373.098   14.065  354.634   19.828  328.325   6.1895  320.070   8.9508 8.254913 10.88241 
1 1 1    4    6   11 o  1094.97   7.8925  4150.00   59.813  4242.24   86.458  4065.33   82.834  1106.94   11.285  1083.62   11.045 23.31714 15.79049 
1 1 1    4    6   12 o  754.715   6.9219  1971.51   36.156  2014.63   63.479  1950.80   43.990  762.771   12.024  750.703   8.4665 12.06805 14.70589 
1 1 1    4    6   13 o  586.804   5.2918  1191.80   21.492  1204.44   30.690  1179.62   30.106  589.862   7.5175  583.755   7.4516 6.107544 10.58485 
1 1 1    4    6   14 o  581.888   5.3379  1171.98   21.497  1197.52   30.887  1147.99   29.938  588.129   7.5881  575.841   7.5119 12.28784 10.67741 
1 1 1    4    6   15 o  543.744   5.2455  1023.45   19.740  1022.82   27.863  1024.08   27.971  543.495   7.4073  543.829   7.4315 -0.3342285 10.49263 
1 1 1    4    6   16 o  319.728   5.8827  353.980   13.018  356.320   15.771  348.976   23.061  320.738   7.1044  317.246   10.503 3.492371 12.67995 
1 1 1    4    6   17 o  310.004   5.1551  332.805   11.061  331.014   15.537  334.645   15.749  309.062   7.2637  310.748   7.3228 -1.686737 10.31427 
1 1 1    4    6   18 o  160.478   10.141   89.812   11.206   88.244   15.334   91.610   16.415  158.488   14.128  161.378   14.864 -2.890549 20.50662 
1 1 1    4    6   19 o   75.409   14.188   20.511   7.1330   32.541   10.272   9.3060   9.9130   95.078   16.190   55.801   20.096 39.27735 25.80597 
1 1 1    4    6   20 o  201.288   6.3309  140.583   8.8198  131.554   12.422  149.762   12.525  194.427   9.2311  207.510   8.7209 -13.08212 12.69909 
1 1 1    4    6   21 o   84.956   15.455   26.239   8.7524   30.013   11.019   19.785   14.407   90.316   18.255   74.571   24.310 15.74445 30.40090 
1 1 1    4    8    0 o  1326.10   10.601  6086.44   97.301  6390.24  177.169  5955.24  116.432  1358.58   18.842  1311.69   12.825 46.89453 22.79267 
1 1 1    4    8    1 o  1566.06   12.328  8488.93  133.626  8527.22  164.493  8414.63  229.136  1569.51   15.143  1558.89   21.237 10.62317 26.08313 
1 1 1    4    8    2 o  1083.84   7.6965  4065.49   57.734  3978.65   79.876  4160.50   83.544  1072.16   10.764  1096.39   11.010 -24.22449 15.39747 
1 1 1    4    8    3 o  1135.58   8.0146  4462.99   62.991  4425.02   88.294  4502.35   89.892  1130.69   11.283  1140.53   11.388 -9.835083 16.03056 
1 1 1    4    8    4 o  906.882   7.7160  2846.37   48.431  2870.24   84.939  2834.87   58.953  910.588   13.477  905.027   9.4116 5.560547 16.43843 
1 1 1    4    8    5 o  2428.50   22.935 20431.33  385.487   0.0000   0.0000 20431.33  385.487  ?   ?   2428.50   22.935 0.000000 22.93472 
1 1 1    4    8    6 o  482.077   4.5062  804.283   15.035  798.333   21.170  810.340   21.357  480.275   6.3687  483.873   6.3772 -3.598145 9.012730 
1 1 1    4    8    7 o  718.841   5.6839  1788.54   28.279  1832.98   40.798  1747.44   39.232  727.642   8.1010  710.465   7.9786 17.17712 11.37033 
1 1 1    4    8    8 o  482.232   4.6221  804.871   15.427  813.174   22.000  796.840   21.637  484.675   6.5584  479.784   6.5160 4.891357 9.245060 
1 1 1    4    8    9 o  274.253   5.9947  260.333   11.379   0.0000   0.0000  260.333   11.379  ?   ?   274.253   5.9947 0.000000 5.994721 
1 1 1    4    8   10 o  940.582   6.9772  3062.14   45.421  3148.49   65.973  2984.33   62.627  953.653   9.9953  928.468   9.7458 25.18524 13.96023 
1 1 1    4    8   11 o  675.029   6.4048  1577.09   29.923  1612.19   52.252  1559.96   36.501  682.400   11.063  671.328   7.8558 11.07172 13.56873 
1 1 1    4    8   12 o  1194.52   8.5049  4939.31   70.314  5046.17  101.685  4841.41   97.335  1207.17   12.171  1182.45   11.893 24.72791 17.01699 
1 1 1    4    8   13 o  807.956   6.3317  2259.56   35.407  2290.67   50.773  2230.11   49.401  813.402   9.0188  802.583   8.8934 10.81952 12.66617 
1 1 1    4    8   14 o  570.371   6.1339  1126.13   24.214  1168.29   43.589  1107.31   29.121  580.769   10.844  565.546   7.4398 15.22266 13.15084 
1 1 1    4    8   15 o  269.036   7.3644  250.632   13.713  250.632   13.713   0.0000   0.0000  269.036   7.3644  ?   ?  0.000000 7.364394 
1 1 1    4    8   16 o  379.745   4.9904  499.264   13.116  504.331   18.664  494.320   18.436  381.578   7.0670  377.773   7.0513 3.805450 9.983156 
1 1 1    4    8   17 o  139.231   9.2253   67.533   8.8394   76.585   14.958   62.675   10.957  147.590   14.845  133.790   11.959 13.80034 19.06293 
1 1 1    4    8   18 o   64.482   15.943   15.099   7.0751   18.385   10.063   11.887   9.9489   71.288   19.728   60.071   20.222 11.21758 28.25075 
1 1 1    4    8   19 o  121.949   8.8551   51.938   7.4229   54.803   10.558   49.137   10.439  124.757   12.391  117.958   13.002 6.798378 17.96088 
1 1 1    4    8   20 o  261.374   6.4570  237.076   11.681  227.024   20.400  241.979   14.247  254.988   11.559  263.893   7.8007 -8.905472 13.94511 
1 1 1    4    8   21 o  150.408   9.0805   79.137   9.4084   74.773   11.651   87.317   15.952  145.674   11.653  156.656   14.891 -10.98192 18.90892 
1 1 1    4   10    0 o  2559.11   19.668 22675.18  348.364 22423.73  421.210 23219.51  619.731  2544.56   23.917  2588.23   34.596 -43.66870 42.05823 
1 1 1    4   10    1 o  1082.89   7.6978  4058.37   57.694  4000.00  113.883  4078.52   66.916  1074.95   15.307  1085.56   8.9064 -10.61377 17.70967 
1 1 1    4   10    2 o  1139.33   8.0445  4492.50   63.435  4393.14   87.701  4601.52   91.865  1126.61   11.247  1153.02   11.512 -26.40564 16.09407 
1 1 1    4   10    3 o  1421.22   9.7902  6990.90   96.300  6889.76  134.101  7098.59  138.378  1410.80   13.734  1432.02   13.962 -21.21423 19.58443 
1 1 1    4   10    4 o  1080.11   10.886  4038.04   81.380  3903.42  110.585  4197.07  120.192  1061.85   15.047  1101.04   15.772 -39.19604 21.79866 
1 1 1    4   10    5 o  742.976   5.7582  1910.43   29.610  1933.38   42.281  1888.34   41.481  747.397   8.1736  738.640   8.1140 8.756592 11.51713 
1 1 1    4   10    6 o  1031.03   7.4274  3679.46   53.001  3725.19   75.877  3635.90   74.066  1037.30   10.569  1024.80   10.443 12.50159 14.85753 
1 1 1    4   10    7 o  574.129   4.9641  1140.88   19.725  1149.02   28.067  1132.93   27.728  576.126   7.0388  572.078   7.0031 4.048767 9.929172 
1 1 1    4   10    8 o  889.311   9.3996  2738.50   57.855  2740.00   82.791  2737.07   80.881  889.277   13.451  888.826   13.148 0.4509277 18.80979 
1 1 1    4   10    9 o  765.352   6.8882  2027.54   36.487  2050.30   45.365  1985.85   61.404  769.588   8.5170  757.278   11.716 12.31067 14.48423 
1 1 1    4   10   10 o  1200.31   8.5055  4987.15   70.660  5092.51  102.093  4890.29   97.895  1212.74   12.163  1188.43   11.902 24.30786 17.01748 
1 1 1    4   10   11 o  1193.90   9.8084  4934.44   81.049  5014.74  100.768  4787.32  136.397  1203.47   12.098  1175.57   16.764 27.89404 20.67346 
1 1 1    4   10   12 o  854.167   6.5381  2525.31   38.652  2580.02   55.816  2474.90   53.577  863.284   9.3417  845.521   9.1554 17.76367 13.08013 
1 1 1    4   10   13 f  921.436   6.9414  2939.02   44.268  2978.73   63.432  2901.32   61.808  927.501   9.8813  915.377   9.7560 12.12396 13.88596 
1 1 1    4   10   14 o  419.602   5.5745  609.441   16.189  611.956   20.163  604.878   27.158  420.438   6.9290  417.932   9.3891 2.506439 11.66901 
1 1 1    4   10   15 o  233.635   6.5591  188.994   10.606  192.049   19.799  187.764   12.560  235.049   12.213  232.848   7.7939 2.200485 14.48769 
1 1 1    4   10   16 o  280.439   5.2145  272.302   10.121  270.815   14.429  273.743   14.200  279.595   7.4564  281.108   7.2988 -1.513367 10.43411 
1 1 1    4   10   17 o  289.180   5.2271  289.614   10.462  300.595   14.992  279.191   14.606  294.501   7.3553  283.817   7.4355 10.68320 10.45886 
1 1 1    4   10   18 o  169.348   6.8012   99.423   7.9716  102.485   11.283   96.371   11.264  171.525   9.5423  166.278   9.8313 5.246170 13.70069 
1 1 1    4   10   19 o   56.886   16.616   11.572   6.9512   5.6518   9.8047   17.556   9.8565   50.313   19.581   69.581   19.620 -19.26752 27.71893 
1 1 1    4   10   20 o  129.262   9.9370   58.550   8.8220   63.933   11.121   49.415   14.488  134.729   12.054  116.790   18.544 17.93919 22.11719 
1 1 1    4   10   21 o  146.515   9.6904   75.235   9.7711   84.293   18.716   71.841   11.456  152.883   18.035  142.744   11.699 10.13873 21.49701 
1 1 1    4   12    0 o  1588.95   10.855  8738.61  119.380  8326.73  159.868  9257.80  179.488  1550.94   14.893  1635.32   15.858 -84.37952 21.75530 
1 1 1    4   12    1 o  694.507   5.4840  1669.24   26.360  1650.34   36.949  1688.83   37.618  690.549   7.7309  698.555   7.7808 -8.005676 10.96844 
1 1 1    4   12    2 o  2238.64   14.981 17348.46  232.118 17151.22  458.762 17416.34  269.106  2224.77   29.794  2242.89   17.336 -18.11475 34.47017 
1 1 1    4   12    3 o  2813.76   21.600 27419.18  420.643 26682.93  706.260 27823.93  523.653  2773.69   36.790  2833.87   26.698 -60.17944 45.45667 
1 1 1    4   12    4 f  2174.98   16.860 16379.44  253.798 16063.47  303.933 17107.32  461.297  2153.62   20.391  2221.43   30.003 -67.81372 36.27656 
1 1 1    4   12    5 o  588.001   7.0121  1196.64   28.537   0.0000   0.0000  1196.64   28.537  ?   ?   588.001   7.0121 0.000000 7.012068 
1 1 1    4   12    6 o  1156.15   8.1853  4627.15   65.497  4657.19   93.249  4597.91   92.018  1159.70   11.618  1152.30   11.538 7.398071 16.37365 
1 1 1    4   12    7 o  1600.20   12.631  8871.57  139.886  8951.24  173.170  8721.95  237.314  1606.88   15.571  1584.87   21.635 22.01453 26.65544 
1 1 1    4   12    8 o  569.532   4.9803  1122.66   19.631  1195.86   29.076  1061.34   26.613  587.758   7.1476  553.720   6.9443 34.03839 9.965534 
1 1 1    4   12    9 o  374.431   5.0966  485.223   13.208  503.902   24.682  477.728   15.635  381.516   9.3474  371.518   6.0803 9.997650 11.15101 
1 1 1    4   12   10 o  739.339   6.7399  1891.94   34.488  1889.76   58.963  1893.08   42.521  738.792   11.531  739.529   8.3075 -0.7374268 14.21223 
1 1 1    4   12   11 o  289.407   4.5171  289.867   9.0478  309.088   13.110  272.383   12.503  298.838   6.3383  280.533   6.4395 18.30515 9.035588 
1 1 1    4   12   12 o  566.547   6.0006  1110.94   23.529  1127.06   28.866  1079.02   40.618  570.620   7.3090  558.251   10.513 12.36835 12.80387 
1 1 1    4   12   13 o  600.461   5.3485  1247.94   22.228  1250.42   31.567  1245.51   31.304  601.001   7.5889  599.823   7.5404 1.177734 10.69812 
1 1 1    4   12   14 o  502.501   5.0634  874.009   17.610  897.261   25.462  852.690   24.381  509.084   7.2266  496.283   7.0981 12.80136 10.12947 
1 1 1    4   12   15 o  509.278   5.1213  897.849   18.051  913.844   26.013  882.994   25.070  513.703   7.3166  504.965   7.1731 8.738525 10.24628 
1 1 1    4   12   16 o  284.985   5.7882  281.248   11.417  284.829   19.290  279.317   14.164  286.615   9.7243  283.952   7.2070 2.663025 12.10385 
1 1 1    4   12   17 o  364.794   4.9755  460.848   12.562  465.162   17.878  456.642   17.655  366.363   7.0508  362.995   7.0272 3.368683 9.954609 
1 1 1    4   12   18 o   88.885   13.795   28.185   8.2115   31.137   9.7781   21.122   15.124   93.154   15.726   77.846   24.865 15.30727 29.42047 
1 1 1    4   12   19 o  150.820   8.4777   79.266   8.8135   92.167   10.887   54.732   15.013  162.500   9.7245  123.443   18.111 39.05741 20.55673 
1 1 1    4   12   20 o  171.589   7.0309  102.244   8.3498  104.286   11.719  100.137   11.900  172.732   9.8435  169.185   10.210 3.546371 14.18244 
1 1 1    4   12   21 o  180.223   6.7716  112.877   8.4465  117.460   12.147  108.587   11.753  183.206   9.6134  176.117   9.6793 7.089386 13.64203 
1 1 1    4   14    0 o  1249.54   10.085  5404.02   87.216  5312.12  104.902  5609.76  156.960  1238.83   12.235  1272.90   17.816 -34.07068 21.61276 
1 1 1    4   14    1 o  1749.85   11.854 10598.45  143.558 10511.10  201.203 10689.02  204.890  1742.44   16.684  1757.11   16.848 -14.67712 23.71085 
1 1 1    4   14    2 o  2247.05   15.044 17479.74  233.973 17234.15  460.675 17565.12  271.613  2229.99   29.848  2252.39   17.423 -22.39746 34.56111 
1 1 1    4   14    3 o  1630.14   15.746  9200.20  177.658  9063.42  247.188  9346.34  255.510  1617.62   22.079  1642.65   22.474 -25.02710 31.50506 
1 1 1    4   14    4 o  761.631   6.8169  2007.63   35.934  1980.46   43.294  2067.80   64.426  756.440   8.2695  772.873   12.044 -16.43243 14.60985 
1 1 1    4   14    5 o  582.744   10.180  1175.61   41.059   0.0000   0.0000  1175.61   41.059  ?   ?   582.744   10.180 0.000000 10.18009 
1 1 1    4   14    6 o  601.342   5.0674  1251.58   21.090  1258.96   29.951  1244.32   29.703  603.067   7.1759  599.549   7.1580 3.517334 10.13561 
1 1 1    4   14    7 o  597.422   5.0721  1235.35   20.972  1230.65   29.616  1240.09   29.703  596.227   7.1770  598.510   7.1704 -2.283386 10.14513 
1 1 1    4   14    8 o  856.285   6.4766  2537.96   38.383  2697.61   57.455  2409.27   51.582  882.694   9.4046  834.207   8.9341 48.48730 12.97169 
1 1 1    4   14    9 o  1039.91   8.6709  3743.50   62.407  4026.34  115.352  3626.46   74.205  1078.10   15.459  1023.45   10.476 54.65308 18.67432 
1 1 1    4   14   10 o  528.360   6.9560  966.236   25.437  977.073   38.150  957.561   34.132  531.258   10.375  525.945   9.3765 5.312561 13.98460 
1 1 1    4   14   11 o  701.265   5.7301  1702.03   27.811  1737.43   40.080  1669.15   38.623  708.476   8.1738  694.416   8.0362 14.05927 11.46262 
1 1 1    4   14   12 o  445.564   4.7424  687.093   14.625  697.354   20.930  677.303   20.443  448.853   6.7374  442.354   6.6773 6.498932 9.485676 
1 1 1    4   14   13 o  186.559   5.8555  120.470   7.5607  109.742   10.306  132.972   11.126  178.038   8.3638  195.979   8.2024 -17.94171 11.71462 
1 1 1    4   14   14 o  186.901   6.0318  120.924   7.8025  114.385   11.083  127.350   10.987  181.743   8.8105  191.775   8.2777 -10.03142 12.08911 
1 1 1    4   14   15 o  265.070   5.3363  243.243   9.7899  246.548   14.016  240.094   13.680  266.810   7.5902  263.297   7.5069 3.513184 10.67537 
1 1 1    4   14   16 o  162.019   8.2186   91.207   9.1857  104.976   17.950   86.322   10.692  173.087   15.136  157.464   9.8603 15.62283 18.06410 
1 1 1    4   14   17 o  261.071   5.3102  236.070   9.5951  251.419   13.760  221.542   13.387  269.316   7.3821  252.793   7.6513 16.52310 10.63192 
1 1 1    4   14   18 o  217.541   5.8564  164.002   8.8176  157.354   12.277  171.086   12.673  212.931   8.3305  222.034   8.2465 -9.102890 11.72185 
1 1 1    4   14   19 o  357.811   5.9465  443.920   14.726  435.714   17.522  463.659   27.176  354.335   7.1448  364.868   10.761 -10.53366 12.91722 
1 1 1    4   14   20 o  159.348   7.3613   88.216   8.1185   88.759   11.327   87.643   11.642  159.207   10.335  158.131   10.701 1.075912 14.87693 
1 1 1    4   14   21 o  171.106   7.6872  101.890   9.1035  115.366   15.280   94.474   11.335  180.885   12.278  164.142   10.025 16.74309 15.85112 
1 1 1    4   16    0 o  2790.71   18.544 26966.79  358.174 26649.98  499.799 27301.27  513.549  2773.48   26.037  2807.12   26.433 -33.63574 37.10296 
1 1 1    4   16    1 o  1776.46   13.896 10924.62  170.852 10740.01  205.227 11341.46  308.384  1761.25   16.836  1809.39   24.625 -48.13489 29.83052 
1 1 1    4   16    2 o  927.512   7.8517  2977.40   50.403  2923.42   85.442  3006.21   62.422  918.962   13.434  931.960   9.6775 -12.99835 16.55652 
1 1 1    4   16    3 o  299.701   8.3360  310.878   17.291  310.878   17.291   0.0000   0.0000  299.701   8.3360  ?   ?  0.000000 8.335970 
1 1 1    4   16    4 o  794.988   6.0645  2187.34   33.368  2224.39   68.678  2175.89   38.178  801.552   12.380  792.890   6.9569 8.661621 14.20052 
1 1 1    4   16    5 o  744.359   8.3491  1918.03   43.013  1915.61   60.637  1920.49   61.023  743.765   11.779  744.709   11.839 -0.9438477 16.70113 
1 1 1    4   16    6 o  550.017   7.1291  1047.26   27.139  1028.78   37.841  1066.83   38.942  545.048   10.031  555.031   10.137 -9.983459 14.26153 
1 1 1    4   16    7 o  1209.93   9.9019  5069.31   82.919  5194.66  103.888  4849.27  137.637  1224.58   12.258  1182.65   16.815 41.93506 20.80863 
1 1 1    4   16    8 o  1046.90   7.5731  3793.84   54.872  3961.67   81.003  3651.50   74.596  1069.64   10.942  1026.94   10.495 42.70129 15.16150 
1 1 1    4   16    9 o  1045.32   7.5676  3782.18   54.750  3907.62   80.003  3671.68   75.087  1062.38   10.881  1029.82   10.535 32.55701 15.14490 
1 1 1    4   16   10 o  276.716   4.4073  265.000   8.4409  267.302   12.105  262.822   11.776  277.905   6.2935  275.568   6.1745 2.337738 8.816604 
1 1 1    4   16   11 o  674.382   5.5976  1574.03   26.127  1635.62   38.189  1519.83   35.822  687.404   8.0269  662.630   7.8109 24.77386 11.20009 
1 1 1    4   16   12 o  886.649   7.7273  2721.37   47.419  2816.67   60.293  2566.83   76.779  901.959   9.6583  860.862   12.886 41.09705 16.10414 
1 1 1    4   16   13 f  379.206   4.7432  497.697   12.449  517.919   17.896  478.738   17.328  386.803   6.6847  371.883   6.7324 14.91949 9.487399 
1 1 1    4   16   14 o  359.792   4.8550  448.073   12.090  466.246   17.475  431.390   16.744  366.973   6.8802  352.990   6.8535 13.98300 9.711271 
1 1 1    4   16   15 o  335.161   4.9566  388.880   11.498  381.920   16.214  395.920   16.307  332.084   7.0546  338.119   6.9683 -6.034943 9.915875 
1 1 1    4   16   16 o  429.448   4.9620  638.581   14.748  610.292   20.348  669.895   21.408  419.709   7.0047  439.725   7.0342 -20.01572 9.926992 
1 1 1    4   16   17 o  306.984   6.0312  326.503   12.814  338.049   23.920  321.856   15.176  311.930   11.080  304.716   7.1957 7.214355 13.21144 
1 1 1    4   16   18 o   85.728   12.746   26.160   7.3327   27.065   9.1865   24.571   12.173   86.637   15.906   81.947   21.275 4.690468 26.56380 
1 1 1    4   16   19 o  278.478   5.2783  268.798   10.173  261.977   14.100  276.205   14.693  274.708   7.4159  282.056   7.5266 -7.347992 10.56624 
1 1 1    4   16   20 o  155.861   8.2901   84.737   8.9107   89.122   14.012   81.760   11.546  158.996   12.843  152.628   11.004 6.367844 16.91235 
1 1 1    4   16   21 o  151.045   7.4937   79.393   7.8339   90.626   11.317   69.056   10.855  160.677   10.229  139.936   11.305 20.74098 15.24599 
1 1 1    4   18    0 o  1585.11   10.831  8696.98  118.829  8585.95  165.733  8814.43  170.464  1574.78   15.206  1595.58   15.436 -20.80469 21.66782 
1 1 1    4   18    1 o  997.364   10.236  3443.10   70.656   0.0000   0.0000  3443.10   70.656  ?   ?   997.364   10.236 0.000000 10.23579 
1 1 1    4   18    2 o  1380.99   9.5611  6601.21   91.386  6419.54  125.411  6806.88  133.440  1361.72   13.307  1402.18   13.750 -40.46057 19.13459 
1 1 1    4   18    3 o  1289.21   8.9996  5753.07   80.302  5588.79  110.134  5939.54  117.335  1270.53   12.524  1309.77   12.944 -39.24170 18.01107 
1 1 1    4   18    4 o  938.938   7.9968  3051.67   51.967  2921.46   86.904  3124.15   64.837  918.451   13.671  949.955   9.8616 -31.50476 16.85679 
1 1 1    4   18    5 o  942.286   9.7972  3074.50   63.894  3087.80   91.712  3061.95   89.066  944.023   14.037  940.091   13.689 3.931885 19.60645 
1 1 1    4   18    6 o  485.707   6.8434  816.664   23.005  791.219   31.858  844.390   33.256  478.000   9.6296  493.797   9.7306 -15.79645 13.68989 
1 1 1    4   18    7 o  1112.78   11.377  4288.35   87.620  4448.78  128.581  4149.27  119.719  1132.95   16.398  1094.21   15.808 38.74255 22.77709 
1 1 1    4   18    8 o  594.102   7.1640  1221.71   29.458  1192.19   39.424  1259.02   44.323  586.823   9.7069  603.021   10.620 -16.19781 14.38771 
1 1 1    4   18    9 o  532.853   4.8508  982.652   17.889  966.872   25.145  998.824   25.456  528.534   6.8740  537.196   6.8468 -8.662476 9.702065 
1 1 1    4   18   10 o  926.143   6.8991  2968.78   44.223  3030.58   63.801  2911.63   61.352  935.650   9.8523  917.110   9.6656 18.53998 13.80186 
1 1 1    4   18   11 o  561.503   5.1012  1091.19   19.824  1120.09   28.676  1064.73   27.437  568.857   7.2834  554.625   7.1476 14.23206 10.20472 
1 1 1    4   18   12 o  335.903   4.6816  390.508   10.884  413.146   16.228  371.997   14.674  345.479   6.7867  327.827   6.4673 17.65195 9.374719 
1 1 1    4   18   13 o  531.778   5.0752  978.794   18.679  1030.09   27.448  934.539   25.493  545.480   7.2703  519.569   7.0894 25.91095 10.15461 
1 1 1    4   18   14 f  311.847   6.8875  336.705   14.866  328.829   19.367  348.000   23.193  308.121   9.0814  316.926   10.574 -8.805145 13.93822 
1 1 1    4   18   15 o  403.898   4.8559  564.758   13.574  556.994   19.135  572.623   19.260  401.032   6.8941  406.622   6.8436 -5.589966 9.714080 
1 1 1    4   18   16 o  167.337   6.4682   97.002   7.4912  104.992   10.517   88.774   10.673  173.797   8.7716  159.687   9.7028 14.10985 13.08002 
1 1 1    4   18   17 o  260.872   5.1947  235.723   9.3791  236.310   13.064  235.098   13.473  261.084   7.2297  260.398   7.4759 0.6863098 10.39992 
1 1 1    4   18   18 o  100.537   12.213   35.724   8.3237   77.268   16.436   21.393   9.6532  147.658   16.357   76.530   18.442 71.12739 24.65109 
1 1 1    4   18   19 o  211.469   5.9519  155.083   8.7112  162.626   12.322  147.546   12.317  216.341   8.2296  206.025   8.6377 10.31686 11.93042 
1 1 1    4   18   20 o   63.551   16.132   14.803   7.1078   9.2252   9.8529   20.856   10.264   55.296   20.017   75.135   19.550 -19.83845 27.98002 
1 1 1    4   18   21 o   33.099   14.771  -2.6071   6.8855  -4.6628   9.7323  -0.5469   9.7429   38.284   17.283   42.266   18.246 -3.981899 25.13257 
1 1 1    4   20    0 o  714.622   6.5452  1767.46   32.372  1753.17   55.612  1774.78   39.813  711.648   11.291  716.081   8.0331 -4.432312 13.85699 
1 1 1    4   20    1 o  560.219   6.9531  1086.23   26.959   0.0000   0.0000  1086.23   26.959  ?   ?   560.219   6.9531 0.000000 6.953067 
1 1 1    4   20    2 o  1595.42   12.606  8812.94  139.192  8640.81  166.670  9209.76  253.058  1579.57   15.245  1630.03   22.431 -50.45898 27.12135 
1 1 1    4   20    3 o  838.554   6.3376  2433.79   36.782  2371.61   50.761  2502.53   53.371  827.705   8.8610  850.236   9.0697 -22.53113 12.67974 
1 1 1    4   20    4 o  108.775   14.048   41.673   10.328   41.673   10.328   0.0000   0.0000  108.775   14.048  ?   ?  0.000000 14.04753 
1 1 1    4   20    5 o  640.100   6.1564  1418.28   27.274  1436.58   48.564  1409.84   32.964  644.031   10.895  638.153   7.4634 5.877930 13.20625 
1 1 1    4   20    6 o  312.986   6.4997  339.091   14.080  343.220   20.239  335.220   19.600  314.840   9.2879  311.153   9.1014 3.687378 13.00385 
1 1 1    4   20    7 o  886.162   13.466  2720.00   82.589   0.0000   0.0000  2720.00   82.589  ?   ?   886.162   13.466 0.000000 13.46578 
1 1 1    4   20    8 o  451.552   6.8829  705.744   21.511  695.122   30.618  716.097   30.228  448.095   9.8724  454.811   9.6028 -6.715363 13.77235 
1 1 1    4   20    9 o  1236.27   10.135  5290.97   86.719  5450.45  109.262  5019.51  142.550  1254.64   12.583  1203.73   17.110 50.90894 21.23881 
1 1 1    4   20   10 o  1207.55   8.5665  5047.47   71.595  5243.89  105.311  4878.67   97.627  1230.64   12.364  1187.03   11.883 43.60229 17.14883 
1 1 1    4   20   11 o  462.830   4.7179  741.372   15.113  791.864   22.290  698.409   20.561  478.306   6.7332  449.197   6.6133 29.10873 9.437815 
1 1 1    4   20   12 o  754.109   7.0474  1968.56   36.783  2031.71   67.292  1941.65   43.926  765.846   12.695  748.887   8.4747 16.95868 15.26405 
1 1 1    4   20   13 o  623.099   5.4811  1343.90   23.637  1485.18   36.303  1239.94   31.143  654.941   8.0088  598.448   7.5190 56.49353 10.98529 
1 1 1    4   20   14 o  488.599   4.9733  826.380   16.818  830.976   24.170  822.065   23.417  489.881   7.1286  487.254   6.9438 2.626190 9.951564 
1 1 1    4   20   15 o  110.677   10.799   42.884   8.1665   34.454   9.4021   68.780   16.479   98.599   14.186  139.521   17.447 -40.92203 22.48682 
1 1 1    4   20   16 o  200.441   8.2246  139.284   11.410  139.284   11.410   0.0000   0.0000  200.441   8.2246  ?   ?  0.000000 8.224648 
1 1 1    4   20   17 o  247.092   5.3594  211.504   9.1654  214.522   13.124  208.630   12.805  248.717   7.6243  245.283   7.5428 3.434113 10.72492 
1 1 1    4   20   18 o  132.853   7.9040   61.477   7.2349   70.783   10.514   53.107   9.9710  142.223   10.761  122.905   11.869 19.31807 16.02110 
1 1 1    4   20   19 o  132.244   8.7916   61.079   8.0009   50.000   12.851   68.092   10.224  118.201   16.130  139.372   10.681 -21.17148 19.34546 
1 1 1    4   20   20 o  207.791   6.0816  149.868   8.7463  146.116   12.338  153.657   12.400  204.850   8.7024  210.096   8.5277 -5.245377 12.18420 
1 1 1    4   20   21 o   52.196   17.295   9.3411   7.2818   13.158   9.8685   4.7794   10.789   61.257   20.126   50.298   20.230 10.95835 28.53617 
1 1 1    4   22    0 o  426.855   8.8888  630.732   26.260  630.732   26.260   0.0000   0.0000  426.855   8.8888  ?   ?  0.000000 8.888841 
1 1 1    4   22    1 o  998.284   7.2688  3449.48   50.222  3362.20   69.184  3546.70   73.020  985.469   10.144  1012.13   10.424 -26.66473 14.54466 
1 1 1    4   22    2 o  218.406   4.2979  165.088   6.4967  159.365   9.0591  171.148   9.3220  214.577   6.1000  222.368   6.0570 -7.791550 8.596349 
1 1 1    4   22    3 o  696.616   5.5946  1679.64   26.974  1606.11   36.650  1766.54   39.843  681.138   7.7743  714.337   8.0588 -33.19916 11.19747 
1 1 1    4   22    4 o  254.378   5.7722  223.981   10.163  223.981   10.163   0.0000   0.0000  254.378   5.7722  ?   ?  0.000000 5.772223 
1 1 1    4   22    5 o  447.824   4.4593  694.098   13.821  712.683   29.817  689.012   15.599  453.671   9.4961  446.172   5.0513 7.498901 10.75604 
1 1 1    4   22    6 o  610.267   7.6072  1289.21   32.131  1320.49   46.440  1260.49   44.502  617.524   10.866  603.339   10.657 14.18518 15.21974 
1 1 1    4   22    7 o  640.822   7.8130  1421.48   34.653  1417.07   49.077  1425.85   48.935  639.740   11.084  641.721   11.018 -1.981018 15.62850 
1 1 1    4   22    8 o  766.021   8.7216  2031.20   46.240  2093.17   67.242  1975.61   63.688  777.501   12.496  755.363   12.182 22.13837 17.45134 
1 1 1    4   22    9 o  683.705   8.2132  1618.03   38.865  1619.51   55.241  1616.58   54.690  683.934   11.670  683.318   11.564 0.6153564 16.42909 
1 1 1    4   22   10 o  1795.31   17.378 11167.40  215.928 11167.40  215.928   0.0000   0.0000  1795.31   17.378  ?   ?  0.000000 17.37766 
1 1 1    4   22   11 o  462.440   6.5495  740.210   20.963   0.0000   0.0000  740.210   20.963  ?   ?   462.440   6.5495 0.000000 6.549543 
1 1 1    4   22   12 o  888.930   6.7451  2735.36   41.499  2814.72   60.368  2664.25   57.141  901.588   9.6743  877.173   9.4122 24.41461 13.49743 
1 1 1    4   22   13 o  272.124   6.6981  256.363   12.615   0.0000   0.0000  256.363   12.615  ?   ?   272.124   6.6981 0.000000 6.698142 
1 1 1    4   22   14 o  574.946   7.5397  1144.81   30.003  1144.81   30.003   0.0000   0.0000  574.946   7.5397  ?   ?  0.000000 7.539691 
1 1 1    4   22   15 o  146.162   6.6467   73.996   6.7238   75.595   9.9351   72.646   9.1333  147.330   9.7991  144.473   9.1817 2.857803 13.42857 
1 1 1    4   22   16 o  261.711   7.1925  237.374   13.028  237.374   13.028   0.0000   0.0000  261.711   7.1925  ?   ?  0.000000 7.192464 
1 1 1    4   22   17 o   99.960   9.6144   35.019   6.5695   37.214   9.5252   33.027   9.0727  102.425   13.787   96.344   14.017 6.081108 19.66109 
1 1 1    4   22   18 o  403.845   4.9753  565.095   13.906  558.307   19.707  571.828   19.626  401.151   7.0980  405.995   6.9845 -4.844940 9.958182 
1 1 1    4   22   19 o  166.720   6.7405   96.478   7.7778   79.276   11.243  112.268   10.771  150.384   10.875  179.670   8.6618 -29.28668 13.90312 
1 1 1    4   22   20 o  115.239   9.2191   46.581   7.2915   50.256   10.401   43.029   10.224  119.012   12.830  109.807   13.755 9.204674 18.81019 
1 1 1    4   24    0 o  1044.02   10.711  3774.50   77.398  3553.17  102.819  4063.90  117.575  1012.64   14.670  1082.88   15.688 -70.23639 21.47836 
1 1 1    4   24    1 o  495.834   4.7043  850.900   16.144  819.318   22.184  886.455   23.538  486.513   6.5882  506.051   6.7204 -19.53769 9.411023 
1 1 1    4   24    2 o  1156.16   8.2226  4627.87   65.797  4468.21   89.694  4813.88   96.815  1135.81   11.410  1178.88   11.866 -43.07520 16.46157 
1 1 1    4   24    4 o  916.449   6.8038  2907.38   43.155  2842.07   59.709  2978.80   62.445  905.961   9.5225  927.485   9.7278 -21.52454 13.61282 
1 1 1    4   24    5 o  406.659   4.3625  572.341   12.278  585.428   17.650  560.068   17.092  411.260   6.2009  402.254   6.1392 9.005554 8.725897 
1 1 1    4   24    6 o  487.986   5.4611  824.181   18.445  826.341   34.083  823.286   21.934  488.543   10.080  487.707   6.4980 0.8362427 11.99293 
1 1 1    4   24    7 o  520.330   7.2011  937.119   25.933  932.683   36.869  941.463   36.484  519.042   10.263  521.483   10.109 -2.440735 14.40544 
1 1 1    4   24    8 o  636.077   7.9150  1400.43   34.845  1427.81   50.271  1375.12   48.342  642.188   11.310  630.235   11.083 11.95337 15.83511 
1 1 1    4   24    9 f  1037.91   10.866  3729.49   78.053  3639.02  107.775  3829.27  113.191  1025.03   15.192  1051.46   15.554 -26.43115 21.74201 
1 1 1    4   24   10 o  1505.59   14.816  7852.03  154.385  8009.76  223.188  7707.32  213.783  1519.86   21.217  1490.96   20.717 28.90137 29.65419 
1 1 1    4   24   11 o  526.399   10.500  959.512   38.253   0.0000   0.0000  959.512   38.253  ?   ?   526.399   10.500 0.000000 10.49956 
1 1 1    4   24   12 o  320.646   10.789  356.098   23.943   0.0000   0.0000  356.098   23.943  ?   ?   320.646   10.789 0.000000 10.78890 
1 1 1    4   24   13 o  555.958   6.1413  1070.03   23.631  1099.08   28.805  1010.24   41.324  563.406   7.3871  539.974   11.057 23.43219 13.29796 
1 1 1    4   24   14 f  451.082   5.7273  704.493   17.881  720.000   34.660  698.869   20.873  455.712   10.989  449.236   6.7131 6.476746 12.87724 
1 1 1    4   24   15 o  267.439   4.8733  247.646   9.0204  273.208   13.305  225.904   12.271  280.830   6.8456  255.359   6.9430 25.47058 9.750200 
1 1 1    4   24   16 o  272.607   4.9034  257.363   9.2515  267.544   13.549  248.471   12.663  277.837   7.0462  267.763   6.8328 10.07449 9.815122 
1 1 1    4   24   17 o  174.030   7.4368  105.047   8.9575   99.295   10.442  121.073   17.429  168.875   8.9661  185.845   13.646 -16.97050 16.32771 
1 1 1    4   24   18 o  344.359   4.9067  410.899   11.694  416.186   16.811  405.941   16.278  346.333   7.0133  342.061   6.8759 4.271667 9.821627 
1 1 1    4   24   19 o  205.359   5.9331  146.299   8.4328  154.573   12.256  138.860   11.621  210.826   8.3995  199.823   8.4025 11.00325 11.88082 
1 1 1    4   24   20 o  190.449   6.2394  125.961   8.2242  134.447   12.104  118.684   11.209  196.402   8.9044  184.548   8.7758 11.85344 12.50212 
1 1 1    4   26    0 o  440.888   4.5829  672.774   13.984  662.960   19.480  683.210   20.088  437.629   6.4313  444.260   6.5332 -6.631226 9.167537 
1 1 1    4   26    1 o  1075.11   8.9627  4002.26   66.691  3903.90  112.809  4055.10   82.689  1061.23   15.359  1082.03   11.042 -20.79480 18.91580 
1 1 1    4   26    2 o  838.305   7.3530  2432.85   42.662  2407.61   51.836  2485.85   75.107  833.867   8.9817  847.062   12.811 -13.19458 15.64603 
1 1 1    4   26    3 o  762.441   5.9857  2012.15   31.586  1946.16   43.354  2086.80   46.113  749.752   8.3547  776.361   8.5818 -26.60913 11.97703 
1 1 1    4   26    4 o  598.673   7.2704  1240.66   30.125  1240.66   30.125   0.0000   0.0000  598.673   7.2704  ?   ?  0.000000 7.270369 
1 1 1    4   26    5 o  1247.92   10.109  5391.75   87.315  5258.54  146.477  5465.18  108.749  1231.84   17.181  1256.22   12.508 -24.38391 21.25132 
1 1 1    4   26    6 o  582.568   5.9280  1174.64   23.902  1151.71   42.073  1185.56   29.044  576.765   10.540  585.252   7.1703 -8.487427 12.74754 
1 1 1    4   26    7 o  1009.83   10.592  3530.33   74.028  3502.93  103.952  3558.54  105.448  1005.70   14.934  1013.64   15.031 -7.946045 21.18853 
1 1 1    4   26    8 f  845.892   9.3511  2476.91   54.746  2500.49   78.116  2454.15   76.748  849.776   13.282  841.869   13.172 7.907043 18.70573 
1 1 1    4   26    9 o  440.115   7.2272  670.454   22.015  695.122   31.820  647.805   30.490  448.092   10.260  432.574   10.184 15.51828 14.45634 
1 1 1    4   26   11 o  490.619   7.7180  833.294   26.207  904.878   40.223  780.488   34.547  511.145   11.370  474.742   10.514 36.40292 15.48614 
1 1 1    4   26   12 o  915.233   10.014  2901.12   63.430  3030.24   93.545  2791.22   86.300  934.966   14.456  897.391   13.895 37.57410 20.05105 
1 1 1    4   26   13 o  297.098   5.7140  305.570   11.749  315.712   13.834  279.317   22.258  301.969   6.6192  283.892   11.328 18.07651 13.12017 
1 1 1    4   26   14 o  569.832   5.9522  1124.38   23.475  1141.38   28.077  1084.88   42.789  574.052   7.0668  559.308   11.054 14.74396 13.11963 
1 1 1    4   26   15 o  353.948   6.0193  433.930   14.746  456.695   18.165  389.951   25.248  363.042   7.2296  335.190   10.883 27.85223 13.06575 
1 1 1    4   26   16 o  304.058   5.0852  320.212   10.701  324.829   12.122  303.902   22.783  306.207   5.7198  295.726   11.131 10.48093 12.51480 
1 1 1    4   26   17 o  117.169   11.192   48.200   8.9657   50.341   10.881   43.673   15.823  119.407   13.397  109.388   21.666 10.01948 25.47360 
1 1 1    4   26   18 o  102.130   11.762   36.852   8.1621   42.066   9.4933   22.073   15.983  109.009   12.828   79.210   25.588 29.79848 28.62358 
1 1 1    4   26   19 o   37.602   15.323   1.9631   6.2820   1.7134   9.1295   2.1877   8.6576   43.732   18.210   43.323   17.859 0.4090729 25.50565 
1 1 1    4   26   20 o  199.170   6.7882  137.888   9.3575  121.621   12.037  162.732   14.876  186.688   9.3161  215.819   9.9590 -29.13107 13.63713 
1 1 1    4   28    0 o  1472.28   10.181  7506.06  103.745  7306.96  142.463  7730.86  151.379  1452.19   14.174  1493.65   14.643 -41.46655 20.37988 
1 1 1    4   28    1 o  407.588   6.2905  575.036   17.745  598.049   25.571  553.659   24.645  415.613   8.8896  399.891   8.9047 15.72217 12.58247 
1 1 1    4   28    2 o  474.124   4.7127  778.013   15.465  775.525   21.764  780.549   21.978  473.336   6.6435  474.866   6.6871 -1.529724 9.426196 
1 1 1    4   28    3 o  874.770   6.6096  2648.70   40.017  2648.91   56.521  2648.50   56.666  874.706   9.3362  874.637   9.3609 0.6896973E-01 13.22084 
1 1 1    4   28    4 o  606.548   5.9680  1273.35   25.053  1197.56   40.633  1319.84   31.822  588.132   9.9822  617.492   7.4460 -29.35950 12.45343 
1 1 1    4   28    5 o  240.424   4.3394  200.050   7.2208  173.750   9.8973  229.979   10.558  224.054   6.3825  257.774   5.9180 -33.72011 8.703930 
1 1 1    4   28    6 o  546.185   4.9280  1032.44   18.629  998.258   25.742  1070.02   26.993  537.044   6.9256  556.012   7.0144 -18.96832 9.857267 
1 1 1    4   28    7 o  358.617   5.1868  445.092   12.874  416.000   24.176  456.606   15.210  346.655   10.076  363.220   6.0502 -16.56552 11.75328 
1 1 1    4   28    8 o  444.310   10.174  683.415   31.288  683.415   31.288   0.0000   0.0000  444.310   10.174  ?   ?  0.000000 10.17445 
1 1 1    4   28    9 o  1367.96   13.639  6481.16  129.131  6556.10  184.863  6409.76  180.455  1375.27   19.422  1359.86   19.173 15.40686 27.29126 
1 1 1    4   28   10 o  881.104   9.7099  2688.00   59.213  2713.17   84.666  2663.90   82.844  884.981   13.823  876.921   13.650 8.060242 19.42649 
1 1 1    4   28   11 o  836.096   9.4283  2420.64   54.559  2578.05   81.738  2294.15   73.271  862.556   13.692  813.729   13.010 48.82684 18.88701 
1 1 1    4   28   12 o  426.415   7.5560  629.567   22.300  628.293   32.268  630.732   30.854  425.860   10.948  426.707   10.447 -0.8469238 15.13255 
1 1 1    4   28   13 o  430.529   7.4511  641.917   22.202  659.024   32.161  626.341   30.688  436.056   10.656  425.120   10.430 10.93643 14.91122 
1 1 1    4   28   14 o  599.147   6.0695  1243.19   25.169  1243.19   25.169   0.0000   0.0000  599.147   6.0695  ?   ?  0.000000 6.069502 
1 1 1    4   28   15 o  494.705   5.0095  847.500   17.152  867.009   19.661  785.366   35.088  500.317   5.6780  475.646   10.659 24.67157 12.07661 
1 1 1    4   28   16 o  238.544   6.9059  197.261   11.402  196.820   13.835  198.195   20.129  238.178   8.3926  238.354   12.243 -0.1762390 14.84357 
1 1 1    4   28   17 o  123.810   8.3436   53.462   7.1080   53.495   7.8629   53.317   16.625  123.738   9.2482  121.338   20.528 2.399750 22.51527 
1 1 1    4   28   18 o  320.694   5.2726  356.510   11.703  361.730   13.232  337.756   25.080  322.961   5.9195  311.115   11.647 11.84680 13.06535 
1 1 1    4   28   19 o   51.023   17.268   8.6264   7.2552   9.2239   7.9865   5.8049   17.355   52.978   18.117   61.808   25.360 -8.830467 31.16619 
1 1 1    4   28   20 o   64.362   16.165   15.286   7.1909   19.359   8.0465  -0.8683   16.025   72.411   16.432   53.618   23.273 18.79259 28.48987 
1 1 1    4   30    0 o  1286.26   9.0540  5727.69   80.602  5470.72  108.527  6043.78  120.366  1256.84   12.476  1320.97   13.165 -64.13098 18.13783 
1 1 1    4   30    1 o  443.981   9.4113  682.439   28.920   0.0000   0.0000  682.439   28.920  ?   ?   443.981   9.4113 0.000000 9.411292 
1 1 1    4   30    2 o  419.342   4.6227  608.593   13.417  610.601   19.021  606.606   18.927  420.012   6.5433  418.636   6.5324 1.376282 9.245917 
1 1 1    4   30    3 o  1045.66   7.5970  3784.76   54.981  3743.27   76.907  3828.13   78.630  1039.79   10.687  1051.50   10.804 -11.71326 15.19680 
1 1 1    4   30    4 o  435.973   4.5969  657.814   13.871  637.812   19.275  679.296   19.976  429.276   6.4877  443.016   6.5149 -13.74008 9.194228 
1 1 1    4   30    5 o  1222.28   10.016  5171.82   84.734  5099.99  102.008  5331.71  152.184  1213.65   12.144  1240.54   17.725 -26.88892 21.48592 
1 1 1    4   30    6 o  993.556   7.2875  3416.74   50.113  3338.56   69.322  3502.30   72.526  982.039   10.199  1005.82   10.418 -23.78546 14.57957 
1 1 1    4   30    7 o  1728.03   13.632 10340.35  163.039 10082.93  275.729 10478.75  202.168  1705.29   23.362  1739.26   16.795 -33.96338 28.77211 
1 1 1    4   30    8 o  417.450   7.2460  603.182   20.935  619.024   30.339  588.781   28.926  422.849   10.367  412.394   10.134 10.45499 14.49730 
1 1 1    4   30    9 o  893.056   9.8259  2761.31   60.734  3052.20   93.785  2551.22   79.704  938.653   14.436  858.230   13.418 80.42279 19.70921 
1 1 1    4   30   10 o  622.476   11.252  1341.95   48.475   0.0000   0.0000  1341.95   48.475  ?   ?   622.476   11.252 0.000000 11.25160 
1 1 1    4   30   11 o  169.202   11.364   99.622   13.231  108.098   19.683   92.634   17.872  175.798   16.365  162.655   16.086 13.14316 22.94745 
1 1 1    4   30   12 o  365.801   7.7229  463.355   19.552  462.244   28.159  464.390   27.170  365.235   11.139  366.100   10.723 -0.8648987 15.46198 
1 1 1    4   30   13 o  229.303   9.1584  182.200   14.535  190.976   20.636  173.561   20.475  234.265   12.776  223.240   13.312 11.02550 18.45102 
1 1 1    4   30   14 o  414.474   7.5353  595.255   21.616  609.756   30.960  581.463   30.193  419.220   10.671  409.380   10.656 9.840057 15.08031 
1 1 1    4   30   15 o   90.738   8.8489   28.830   5.4865   30.503   5.8712   17.307   15.409   93.314   9.2111   73.185   25.160 20.12836 26.79331 
1 1 1    4   30   16 o  112.398   8.2337   44.070   6.3606   44.369   6.9198   42.439   16.150  112.701   8.9449  107.758   22.386 4.942261 24.10708 
1 1 1    4   30   17 f   61.763   18.951   13.475   8.8751   8.5534   10.566   25.268   16.356   55.572   20.627   83.819   25.729 -28.24706 32.97639 
1 1 1    4   30   18 o  177.270   6.5679  109.057   8.0582  106.396   8.7802  123.268   20.292  175.040   7.2475  186.550   15.867 -11.51009 17.44369 
1 1 1    4   30   19 o  222.852   6.4536  172.465   9.9540  172.465   9.9540   0.0000   0.0000  222.852   6.4536  ?   ?  0.000000 6.453643 
1 1 1    4   30   20 o  110.677   10.045   43.211   7.6111   41.812   8.4200   49.463   17.796  108.563   11.375  114.320   23.283 -5.756386 25.91301 
1 1 1    4   32    0 o  608.375   6.1238  1281.03   25.785  1254.43   30.980  1340.98   46.518  602.006   7.4355  622.346   10.800 -20.34009 13.11178 
1 1 1    4   32    1 o  1006.08   7.3877  3503.53   51.442  3425.64   71.118  3589.00   74.498  994.722   10.330  1018.15   10.572 -23.43127 14.78095 
1 1 1    4   32    2 o  1516.79   10.471  7965.04  109.919  7820.33  152.407  8121.92  158.681  1502.64   14.655  1531.31   14.972 -28.67249 20.95044 
1 1 1    4   32    3 o  1046.82   10.773  3793.88   78.056   0.0000   0.0000  3793.88   78.056  ?   ?   1046.82   10.773 0.000000 10.77342 
1 1 1    4   32    4 o  806.587   6.2624  2251.69   34.960  2233.68   49.037  2270.31   49.853  803.299   8.8201  809.858   8.8942 -6.558838 12.52604 
1 1 1    4   32    5 o  967.102   7.1540  3237.18   47.884  3174.10   66.469  3305.25   69.042  957.551   10.029  977.127   10.209 -19.57593 14.31141 
1 1 1    4   32    6 f  115.830   6.5678   46.586   5.2436   52.234   7.1565   40.039   7.7051  122.549   8.4898  107.026   10.539 15.52295 13.53288 
1 1 1    4   32    7 o  1136.56   8.1613  4471.39   64.199  4268.90   86.543  4719.18   95.734  1110.39   11.261  1167.46   11.848 -57.06335 16.34585 
1 1 1    4   32    8 o  729.364   6.9042  1841.33   34.852  1817.56   61.230  1852.73   42.389  724.467   12.212  731.578   8.3718 -7.110840 14.80569 
1 1 1    4   32    9 o  594.134   11.182  1222.44   45.981   0.0000   0.0000  1222.44   45.981  ?   ?   594.134   11.182 0.000000 11.18203 
1 1 1    4   32   10 o  271.794   8.5153  255.770   16.018  261.463   23.627  250.927   21.791  274.723   12.426  269.148   11.698 5.575714 17.06602 
1 1 1    4   32   11 o  479.565   7.6755  796.297   25.476  833.659   37.235  763.415   34.932  490.549   10.967  469.438   10.751 21.11148 15.35808 
1 1 1    4   32   12 o  422.024   7.5674  616.800   22.103  639.024   32.026  596.585   30.544  429.396   10.776  414.901   10.637 14.49548 15.14169 
1 1 1    4   32   13 o  353.756   7.6149  433.540   18.644  440.049   26.615  427.268   26.126  356.206   10.796  350.998   10.754 5.207886 15.23831 
1 1 1    4   32   14 o  267.922   8.2900  248.844   15.372  228.537   22.050  268.049   21.443  256.477   12.422  277.871   11.150 -21.39423 16.69162 
1 1 1    4   32   16 o  308.089   4.5963  328.775   9.8007  339.207   10.842  282.146   22.922  312.912   5.0061  284.700   11.633 28.21155 12.66410 
1 1 1    4   32   17 o   52.984   15.091   10.082   5.8008   10.967   6.1741   3.4273   16.940   55.170   15.518   59.498   24.792 -4.328003 29.24842 
1 1 1    4   32   18 o  267.641   7.7018  248.929   14.267  248.929   14.267   0.0000   0.0000  267.641   7.7018  ?   ?  0.000000 7.701770 
1 1 1    4   32   19 o  193.103   6.1639  129.486   8.2380  124.304   8.9228  159.415   21.443  189.127   6.8166  212.076   14.700 -22.94946 16.20328 
1 1 1    4   34    0 o  1410.68   11.341  6889.80  110.732  6741.24  132.482  7234.15  201.698  1395.24   13.719  1444.78   20.171 -49.54089 24.39420 
1 1 1    4   34    1 o  946.740   7.0636  3102.31   46.284  3058.74   64.505  3148.56   66.450  939.987   9.9151  953.683   10.067 -13.69696 14.13014 
1 1 1    4   34    2 o  831.910   7.4365  2395.43   42.817  2274.63   70.002  2467.64   54.122  810.522   12.479  844.311   9.2619 -33.78937 15.54018 
1 1 1    4   34    3 o  1096.90   7.9292  4164.59   60.197  4105.82   84.012  4226.60   86.295  1089.02   11.146  1104.91   11.284 -15.89673 15.86128 
1 1 1    4   34    4 o  191.902   5.3168  127.452   7.0616  120.957   9.8373  134.358   10.143  186.939   7.6032  197.023   7.4383 -10.08400 10.63662 
1 1 1    4   34    5 o  492.859   4.8473  840.674   16.535  796.098   22.546  892.550   24.322  479.595   6.7923  507.816   6.9202 -28.22110 9.696615 
1 1 1    4   34    6 o  959.788   10.047  3189.09   66.743  3189.09   66.743   0.0000   0.0000  959.788   10.047  ?   ?  0.000000 10.04739 
1 1 1    4   34    7 o  971.584   7.1997  3267.46   48.414  3125.91   65.550  3437.36   71.814  950.204   9.9673  996.396   10.414 -46.19208 14.41487 
1 1 1    4   34    8 o  485.180   5.7135  814.761   19.186  786.341   34.651  827.325   23.040  476.543   10.506  488.889   6.8092 -12.34579 12.51958 
1 1 1    4   34    9 o  722.051   8.6585  1805.08   43.270  1777.56   60.621  1833.66   61.782  716.352   12.227  727.565   12.269 -11.21332 17.32133 
1 1 1    4   34   10 o  696.517   8.5386  1679.84   41.162  1655.12   57.747  1705.37   58.688  691.169   12.072  701.581   12.086 -10.41132 17.08230 
1 1 1    4   34   11 o  497.575   7.6974  857.322   26.508  845.854   37.496  868.781   37.480  494.072   10.965  500.732   10.815 -6.660095 15.40130 
1 1 1    4   34   12 o  501.000   10.970  870.244   38.038  870.244   38.038   0.0000   0.0000  501.000   10.970  ?   ?  0.000000 10.97000 
1 1 1    4   34   13 o  347.926   7.6649  419.448   18.457  431.024   26.621  408.732   25.613  352.463   10.913  343.238   10.782 9.225128 15.34069 
1 1 1    4   34   14 o  229.183   8.9530  182.185   14.201  188.927   21.083  176.585   19.214  232.710   13.144  225.060   12.383 7.649506 18.05800 
1 1 1    4   34   15 o   82.065   19.964   24.583   11.231   26.649   16.099   22.624   15.675   85.977   25.336   80.275   25.278 5.701736 35.78978 
1 1 1    4   34   16 o  161.548   11.478   91.330   12.750   88.146   19.386   93.756   16.926  157.380   18.129  163.025   15.175 -5.644165 23.64210 
1 1 1    4   34   17 o   85.685   20.552   27.067   12.032   22.771   16.279   32.239   17.861   80.220   25.815   93.257   26.452 -13.03753 36.96075 
1 1 1    4   34   19 o  102.417   9.0526   36.872   6.3508   32.997   6.7923   63.805   17.907   96.608   10.318  131.783   20.284 -35.17476 22.75730 
1 1 1    4   36    0 o  461.470   4.8900  737.002   15.618  698.234   21.359  781.548   22.896  449.151   6.8709  475.192   6.9616 -26.04083 9.781244 
1 1 1    4   36    1 o  1988.17   26.956 13712.20  370.924   0.0000   0.0000 13712.20  370.924  ?   ?   1988.17   26.956 0.000000 26.95599 
1 1 1    4   36    2 o  803.416   6.3089  2234.01   35.081  2154.98   47.950  2325.04   51.459  789.026   8.7805  819.562   9.0720 -30.53662 12.62528 
1 1 1    4   36    3 o  966.487   7.1953  3233.08   48.131  3168.07   66.719  3303.63   69.501  956.639   10.077  976.885   10.279 -20.24615 14.39474 
1 1 1    4   36    4 o  697.181   6.7222  1682.32   32.436  1616.10   55.448  1716.77   39.993  683.208   11.726  704.255   8.2050 -21.04675 14.31177 
1 1 1    4   36    5 o  1080.46   9.0153  4041.13   67.416  3994.18   81.872  4140.00  118.813  1074.08   11.013  1093.24   15.703 -19.16077 19.17987 
1 1 1    4   36    6 o  413.504   4.7029  591.766   13.459  564.142   18.430  623.336   19.702  403.718   6.5957  424.369   6.7081 -20.65112 9.407558 
1 1 1    4   36    7 o  1121.03   8.0853  4350.44   62.733  4214.41   85.824  4506.51   91.925  1103.19   11.240  1140.75   11.643 -37.56311 16.18350 
1 1 1    4   36    8 o  538.789   7.1650  1004.90   26.719   0.0000   0.0000  1004.90   26.719  ?   ?   538.789   7.1650 0.000000 7.165008 
1 1 1    4   36    9 o  973.225   10.476  3280.44   70.561  3183.42   96.943  3389.76  102.899  958.351   14.616  988.876   15.035 -30.52527 20.96803 
1 1 1    4   36   10 o  844.384   9.5485  2469.50   55.802  2465.85   78.740  2473.17   79.093  843.392   13.489  844.638   13.530 -1.245972 19.10541 
1 1 1    4   36   11 o  602.888   11.362  1260.00   47.409  1260.00   47.409   0.0000   0.0000  602.888   11.362  ?   ?  0.000000 11.36190 
1 1 1    4   36   12 o  282.217   8.0080  275.953   15.642  288.146   23.059  265.561   21.289  288.196   11.560  276.697   11.116 11.49890 16.03801 
1 1 1    4   36   13 o  298.643   7.9025  309.120   16.334  305.902   23.561  312.098   22.665  296.829   11.469  299.865   10.921 -3.036407 15.83626 
1 1 1    4   36   14 o  311.732   7.9437  336.973   17.139  300.390   24.666  371.122   23.831  293.927   12.125  326.894   10.533 -32.96716 16.06133 
1 1 1    4   36   15 o   48.610   20.076   2.4874   10.968  -5.0146   16.175   8.8732   14.923   51.582   22.851   62.247   24.176 -10.66503 33.26638 
1 1 1    4   36   16 f  138.384   14.111   67.632   13.326   53.171   17.805   86.049   20.094  120.652   22.138  155.111   19.122 -34.45835 29.25343 
1 1 1    4   36   17 o   56.962   23.855   2.7737   15.796   2.7737   15.796   0.0000   0.0000   56.962   23.855  ?   ?  0.000000 23.85531 
1 1 1    4   36   18 o  159.680   12.124   89.807   13.299   70.780   18.428  110.488   19.212  139.577   19.617  176.165   15.930 -36.58809 25.27056 
1 1 1    4   36   19 o  209.976   5.4272  153.067   7.8871  156.895   8.5255  130.342   20.774  212.537   5.7957  190.859   15.870 21.67822 16.89563 
1 1 1    4   38    0 o  388.992   4.8341  523.677   13.015  494.663   17.793  557.063   19.086  378.047   6.8003  401.183   6.8739 -23.13583 9.669225 
1 1 1    4   38    1 o  855.634   6.6084  2533.91   39.135  2488.85   54.453  2582.03   56.282  847.930   9.2787  863.654   9.4157 -15.72375 13.21933 
1 1 1    4   38    2 o  192.909   8.0331  128.811   10.725  128.811   10.725   0.0000   0.0000  192.909   8.0331  ?   ?  0.000000 8.033111 
1 1 1    4   38    3 o  1360.57   9.5353  6408.28   89.791  6302.50  124.757  6521.96  129.334  1349.07   13.361  1372.34   13.617 -23.26941 19.07734 
1 1 1    4   38    4 o  1432.71   11.505  7107.31  114.088  6770.73  186.751  7307.72  144.105  1397.68   19.305  1452.55   14.334 -54.87183 24.04506 
1 1 1    4   38    5 o  413.732   6.7845  592.487   19.427   0.0000   0.0000  592.487   19.427  ?   ?   413.732   6.7845 0.000000 6.784538 
1 1 1    4   38    6 o  475.830   4.9281  783.623   16.230  754.852   22.301  816.018   23.664  466.985   6.9000  485.534   7.0420 -18.54901 9.858967 
1 1 1    4   38    7 f  585.179   7.4214  1185.42   30.057  1153.17   39.323  1230.73   46.617  577.091   9.8453  596.126   11.299 -19.03522 14.98628 
1 1 1    4   38    8 o  232.812   4.8781  187.600   7.8602  159.048   10.467  224.517   11.902  214.345   7.0558  254.671   6.7527 -40.32651 9.766482 
1 1 1    4   38    9 o  550.866   6.0555  1050.46   23.087  1003.90   40.907  1072.23   27.967  538.318   10.980  556.503   7.2611 -18.18524 13.16344 
1 1 1    4   38   10 f  516.020   7.7952  922.134   27.840  913.171   39.239  931.219   39.505  513.319   11.045  518.370   11.011 -5.050293 15.59604 
1 1 1    4   38   11 o  450.479   7.6630  702.938   23.892  728.781   34.463  679.024   33.152  458.461   10.861  442.537   10.824 15.92395 15.33361 
1 1 1    4   38   12 o  412.721   7.5241  590.206   21.492  621.951   31.465  562.439   29.428  423.401   10.737  402.652   10.560 20.74927 15.05965 
1 1 1    4   38   13 o  191.332   13.430  127.951   17.672   0.0000   0.0000  127.951   17.672  ?   ?   191.332   13.430 0.000000 13.43031 
1 1 1    4   38   14 o  341.585   7.6135  404.628   17.999  419.268   26.589  392.244   24.455  347.305   11.062  335.997   10.516 11.30798 15.26253 
1 1 1    4   38   15 o  136.243   12.505   65.227   11.660   62.829   16.516   67.610   16.464  132.490   18.517  137.716   17.681 -5.226410 25.60308 
1 1 1    4   38   16 f  107.526   16.856   41.590   12.132   34.415   16.326   50.439   18.131   96.264   24.455  117.032   23.203 -20.76830 33.71139 
1 1 1    4   38   17 o  167.015   12.094   98.034   13.885   96.195   18.614  100.341   20.848  164.325   16.594  167.361   18.297 -3.036316 24.70101 
1 1 1    4   38   18 o  135.971   13.931   65.750   12.925   87.512   18.422   44.654   18.138  156.018   17.354  108.648   24.683 47.37041 30.17280 
1 1 1    4   40    0 o  444.561   5.7656  684.018   17.740  587.317   28.058  748.421   22.898  411.887   9.8424  465.002   7.1147 -53.11560 12.14463 
1 1 1    4   40    1 o  489.506   5.0623  829.294   17.151  799.732   23.721  861.675   24.827  480.677   7.1302  498.944   7.1893 -18.26721 10.12552 
1 1 1    4   40    2 o  1196.85   9.8994  4959.17   82.002  4876.12   98.531  5146.34  147.910  1186.67   11.997  1218.68   17.536 -32.01367 21.24696 
1 1 1    4   40    3 o  440.449   4.9498  671.410   15.089  645.498   20.717  700.686   22.021  431.843   6.9315  449.924   7.0716 -18.08026 9.902202 
1 1 1    4   40    4 o  730.264   6.8706  1845.90   34.726  1808.84   42.092  1924.88   61.446  722.854   8.4134  745.548   11.908 -22.69489 14.58035 
1 1 1    4   40    5 o  510.177   5.1059  900.848   18.029  903.538   25.449  898.138   25.545  510.902   7.1969  509.372   7.2461 1.530090 10.21280 
1 1 1    4   40    6 o  412.623   4.8688  589.275   13.904  574.246   19.287  605.537   20.063  407.298   6.8420  418.246   6.9310 -10.94797 9.739177 
1 1 1    4   40    7 o  374.216   4.8168  484.689   12.475  481.405   17.171  488.360   18.156  372.918   6.6528  375.596   6.9843 -2.677979 9.645754 
1 1 1    4   40    8 o  202.645   7.1915  142.172   10.086  131.219   20.259  145.781   11.630  193.940   15.215  205.188   8.1895 -11.24770 17.27901 
1 1 1    4   40    9 o  343.744   5.6697  409.046   13.489  372.049   25.684  423.137   15.851  327.657   11.326  349.594   6.5510 -21.93735 13.08397 
1 1 1    4   40   10 o  278.726   11.902  269.415   22.959  269.415   22.959   0.0000   0.0000  278.726   11.902  ?   ?  0.000000 11.90163 
1 1 1    4   40   11 o  420.780   7.5370  613.407   21.950  615.122   31.108  611.707   30.976  421.128   10.673  419.959   10.657 1.169067 15.08259 
1 1 1    4   40   12 o  330.494   7.7100  378.559   17.636  356.878   24.775  400.829   25.110  320.623   11.165  339.839   10.676 -19.21634 15.44729 
1 1 1    4   40   13 o  267.056   8.2216  247.345   15.196  225.658   21.566  268.732   21.416  254.743   12.232  278.110   11.126 -23.36710 16.53516 
1 1 1    4   40   15 o  106.288   15.915   40.435   11.348   40.810   16.426   40.093   15.695  105.216   23.182  104.424   22.388 0.7925873 32.22831 
1 1 1    4   40   16 o   55.194   21.051   7.7363   11.172   3.6946   14.750   13.176   17.111   56.216   23.255   69.236   26.138 -13.02009 34.98508 
1 1 1    4   40   17 f  139.027   14.234   68.622   13.503   79.610   18.386   55.756   19.896  148.722   18.245  122.192   24.380 26.53003 30.45105 
1 1 1    4   40   18 o  107.194   24.483   43.668   17.766   0.0000   0.0000   43.668   17.766  ?   ?   107.194   24.483 0.000000 24.48304 
1 1 1    4   42    0 o  724.399   6.9723  1816.38   34.957  1772.68   59.337  1839.60   43.261  715.468   11.983  728.971   8.5745 -13.50330 14.73454 
1 1 1    4   42    1 o  245.255   8.1380  208.221   13.814   0.0000   0.0000  208.221   13.814  ?   ?   245.255   8.1380 0.000000 8.138043 
1 1 1    4   42    2 o  866.861   6.7181  2601.03   40.306  2546.49   55.862  2660.27   58.214  857.627   9.4111  876.572   9.5955 -18.94440 13.44032 
1 1 1    4   42    3 o  507.765   5.8932  892.390   20.710  900.559   25.507  876.585   35.480  510.060   7.2254  503.155   10.188 6.905151 12.49031 
1 1 1    4   42    4 o  552.987   5.2899  1058.40   20.246  1080.20   28.828  1037.18   28.440  558.609   7.4565  547.370   7.5070 11.23920 10.58085 
1 1 1    4   42    5 o  284.757   5.2792  280.655   10.404  274.260   14.434  287.572   15.011  281.469   7.4095  288.217   7.5250 -6.748413 10.56055 
1 1 1    4   42    6 o  420.629   5.9915  612.435   17.443  580.976   32.056  625.666   20.790  409.546   11.309  425.127   7.0657 -15.58109 13.33497 
1 1 1    4   42    7 o  284.150   5.1050  279.472   10.040  246.327   13.228  324.504   15.419  266.739   7.1653  306.152   7.2766 -39.41315 10.21228 
1 1 1    4   42    8 o  342.810   5.7626  406.825   13.673  394.294   15.573  448.976   28.561  337.469   6.6674  359.942   11.465 -22.47351 13.26260 
1 1 1    4   42    9 o  278.314   5.0779  268.147   9.7813  251.441   12.083  299.902   16.659  269.474   6.4788  294.247   8.1803 -24.77356 10.43512 
1 1 1    4   42   10 f  159.116   11.947   88.338   13.061   77.415   18.085  100.244   18.882  148.050   18.021  169.004   16.347 -20.95340 24.33056 
1 1 1    4   42   11 o  269.896   8.4623  252.506   15.807  255.366   22.899  249.902   21.849  271.174   12.201  268.291   11.766 2.883728 16.95001 
1 1 1    4   42   12 o  489.920   7.6534  832.045   25.951  791.219   36.119  875.610   37.311  477.321   10.933  502.163   10.735 -24.84201 15.32256 
1 1 1    4   42   13 o  240.304   8.5386  200.368   14.201  193.024   21.018  206.537   19.263  235.099   12.967  243.719   11.420 -8.619919 17.27914 
1 1 1    4   42   14 o   81.033   19.665   24.029   10.917   18.312   15.614   29.498   15.270   74.320   25.332   89.616   24.097 -15.29598 34.96233 
1 1 1    4   42   15 o  195.224   14.148  134.049   18.987  134.049   18.987   0.0000   0.0000  195.224   14.148  ?   ?  0.000000 14.14846 
1 1 1    4   42   16 o   57.764   21.762   9.0202   11.847  -5.7024   15.990   26.937   17.639   50.366   22.491   86.010   26.771 -35.64404 34.96527 
1 1 1    4   42   17 o   83.453   27.231   25.176   18.077   0.0000   0.0000   25.176   18.077  ?   ?    83.453   27.231 0.000000 27.23099 
1 1 1    4   44    0 o  686.291   5.8892  1630.24   27.973  1588.54   38.556  1676.58   40.648  677.393   8.2238  695.903   8.4394 -18.51044 11.78362 
1 1 1    4   44    1 o  1068.07   7.8540  3949.15   58.058  3863.19   80.359  4043.01   83.974  1056.20   10.993  1080.48   11.229 -24.28589 15.71432 
1 1 1    4   44    2 o  584.849   6.2806  1183.97   25.423  1146.60   30.540  1268.29   45.882  575.514   7.6671  605.170   10.954 -29.65656 13.37089 
1 1 1    4   44    3 o  638.266   5.6826  1410.07   25.103  1387.04   34.808  1435.02   36.237  632.971   7.9454  643.818   8.1323 -10.84796 11.36949 
1 1 1    4   44    4 o  818.854   6.4817  2321.06   36.734  2278.98   50.969  2366.55   52.991  811.283   9.0772  826.714   9.2612 -15.43060 12.96790 
1 1 1    4   44    5 o  848.766   7.6433  2494.13   44.900  2401.95   73.564  2548.85   56.682  832.597   12.766  857.918   9.5461 -25.32068 15.94044 
1 1 1    4   44    6 o  653.197   5.7160  1476.94   25.841  1444.44   35.902  1511.88   37.224  645.878   8.0313  660.779   8.1393 -14.90094 11.43460 
1 1 1    4   44    7 o  292.424   5.1184  296.003   10.359  268.075   13.795  332.115   15.686  278.249   7.1634  309.702   7.3182 -31.45319 10.24058 
1 1 1    4   44    8 o  385.000   4.8442  513.110   12.908  482.315   17.225  552.557   19.495  373.215   6.6683  399.453   7.0515 -26.23868 9.705105 
1 1 1    4   44    9 f  274.748   4.7870  261.331   9.1028  258.364   12.399  264.800   13.406  273.135   6.5591  276.501   7.0054 -3.366333 9.596737 
1 1 1    4   44   10 o  380.297   5.5828  500.835   14.694  506.341   28.814  498.899   17.083  382.011   10.898  379.515   6.5036 2.496155 12.69101 
1 1 1    4   44   11 o  162.635   16.397   93.122   18.204   0.0000   0.0000   93.122   18.204  ?   ?   162.635   16.397 0.000000 16.39655 
1 1 1    4   44   12 o  526.106   7.7701  959.800   28.293  968.293   40.504  951.707   39.538  527.872   11.086  523.365   10.915 4.507141 15.55790 
1 1 1    4   44   13 o   65.377   20.699   14.847   10.499   14.873   15.514   14.824   14.260   69.983   25.147   68.656   24.168 1.327843 34.87806 
1 1 1    4   44   14 o   57.027   23.796   2.8463   15.638   2.8463   15.638   0.0000   0.0000   57.027   23.796  ?   ?  0.000000 23.79638 
1 1 1    4   44   15 o   95.982   17.821   33.496   11.402   22.595   16.701   43.015   15.606   80.173   26.175  108.141   21.606 -27.96761 33.94061 
1 1 1    4   44   16 f  103.662   18.209   39.163   12.587   33.590   17.592   45.010   18.018   94.554   26.050  109.596   24.383 -15.04193 35.68096 
1 1 1    4   44   17 o   55.384   21.587   7.3421   11.931   14.102   16.416  -0.2258   17.369   68.780   25.675   56.361   24.347 12.41937 35.38330 
1 1 1    4   46    0 o  902.391   6.9598  2818.92   43.468  2724.39   59.391  2927.97   63.791  886.993   9.6744  919.513   10.024 -32.52051 13.93074 
1 1 1    4   46    1 f  532.505   5.3809  981.483   19.831  981.841   27.833  981.113   28.263  532.549   7.5513  532.349   7.6710 0.2006836 10.76415 
1 1 1    4   46    2 o  483.508   5.2408  809.173   17.538  772.371   24.041  851.036   25.641  472.339   7.3540  495.806   7.4721 -23.46750 10.48398 
1 1 1    4   46    3 o  373.569   5.1322  483.033   13.270  459.754   18.047  510.428   19.578  364.421   7.1554  383.974   7.3669 -19.55380 10.26990 
1 1 1    4   46    4 f  367.219   7.1491  466.859   18.170  464.049   23.806  470.780   28.122  366.054   9.3965  368.648   11.022 -2.593658 14.48364 
1 1 1    4   46    5 o  712.694   5.9679  1758.34   29.438  1719.22   40.718  1801.17   42.608  704.606   8.3496  721.192   8.5362 -16.58557 11.94076 
1 1 1    4   46    6 o  366.230   5.0518  464.283   12.805  460.641   17.673  468.308   18.578  364.741   7.0008  367.755   7.2992 -3.013916 10.11384 
1 1 1    4   46    7 o  585.047   6.4370  1185.18   26.065  1138.54   45.363  1208.17   31.847  573.057   11.437  590.613   7.7908 -17.55566 13.83870 
1 1 1    4   46    8 o  104.402   9.7940   38.114   6.9942   43.631   8.3680   25.327   12.740  111.632   10.972   83.665   21.787 27.96794 24.39365 
1 1 1    4   46    9 f  348.246   5.6338  419.967   13.579  415.794   15.649  432.683   27.316  346.470   6.5262  353.124   11.177 -6.653229 12.94259 
1 1 1    4   46   10 o  413.010   4.8562  590.659   13.881  548.781   30.310  601.774   15.615  397.591   11.015  416.847   5.4125 -19.25638 12.27254 
1 1 1    4   46   11 o  137.376   13.419   66.298   12.596   77.561   17.809   55.024   17.818  147.941   17.747  123.449   21.643 24.49232 27.98909 
1 1 1    4   46   12 o  273.138   8.2561  258.852   15.608  261.951   22.166  255.805   21.980  274.409   11.671  271.165   11.712 3.243347 16.53407 
1 1 1    4   46   13 o  156.862   11.342   86.101   12.231   74.634   17.993   95.951   16.676  144.610   18.393  165.037   14.755 -20.42656 23.57997 
1 1 1    4   46   14 o  214.601   9.3357  160.164   13.866  164.781   20.328  156.146   18.962  216.654   13.626  211.005   13.049 5.649216 18.86618 
1 1 1    4   46   15 o  140.090   13.790   69.444   13.198   52.049   17.875   90.293   19.569  118.773   22.569  158.773   18.133 -40.00059 28.95113 
1 1 1    4   46   16 o  156.990   17.449   88.488   18.638   0.0000   0.0000   88.488   18.638  ?   ?   156.990   17.449 0.000000 17.44868 
1 1 1    4   48    0 o  110.599   11.154   42.806   8.4215   29.145   11.203   60.551   12.769   89.989   18.603  131.393   14.271 -41.40311 23.44602 
1 1 1    4   48    1 o  440.772   5.2449  672.482   16.000  674.992   22.335  669.835   22.933  441.544   7.3084  439.848   7.5331 1.696381 10.49579 
1 1 1    4   48    2 f  197.411   8.1209  134.943   11.096  130.098   18.927  137.480   13.696  193.189   14.256  199.228   9.9326 -6.038620 17.37493 
1 1 1    4   48    3 o  413.550   5.2049  591.996   14.898  572.284   20.525  613.945   21.658  406.555   7.2944  421.089   7.4313 -14.53384 10.41308 
1 1 1    4   48    4 o  520.899   5.2991  939.265   19.104  946.042   26.936  932.404   27.101  522.696   7.4456  518.911   7.5459 3.785461 10.60084 
1 1 1    4   48    5 o  516.755   5.2736  924.420   18.861  953.237   26.908  896.587   26.445  524.657   7.4103  508.823   7.5093 15.83334 10.54997 
1 1 1    4   48    6 o  135.558   8.2150   63.889   7.6710   62.408   10.196   65.821   11.645  133.706   11.119  137.199   12.397 -3.492447 16.65263 
1 1 1    4   48    7 o  265.783   6.7817  244.661   12.475  258.634   16.722  227.122   18.734  273.188   8.8439  255.928   10.576 17.26096 13.78668 
1 1 1    4   48    8 o  558.711   5.3231  1080.90   20.584  1040.69   28.134  1127.21   30.194  548.063   7.4170  570.369   7.6488 -22.30591 10.65443 
1 1 1    4   48    9 o  296.428   4.8678  304.264   9.9870  284.290   13.338  329.753   15.067  286.454   6.7276  308.491   7.0567 -22.03726 9.749750 
1 1 1    4   48   10 o  109.801   7.0211   41.954   5.3078   52.435   6.7327   24.746   8.6274  122.716   7.9702   82.924   15.605 39.79291 17.52248 
1 1 1    4   48   11 o  158.000   11.676   87.288   12.678   94.049   17.748   80.244   18.117  163.348   15.900  150.405   17.746 12.94365 23.82668 
1 1 1    4   48   12 o  163.230   11.088   93.123   12.452  111.073   17.551   74.927   17.670  177.782   14.387  145.056   17.987 32.72585 23.03276 
1 1 1    4   48   13 o  159.789   16.493   90.537   17.978   90.537   17.978   0.0000   0.0000  159.789   16.493  ?   ?  0.000000 16.49329 
1 1 1    4   48   14 o  165.597   11.648   96.177   13.265   78.829   19.115  112.293   18.424  148.082   19.095  178.241   15.076 -30.15929 24.32930 
1 1 1    4   48   15 o   52.209   23.260  -5.4049   16.995   0.0000   0.0000  -5.4049   16.995  ?   ?    52.209   23.260 0.000000 23.25972 
1 1 1    4   48   16 o   67.811   22.684   16.007   12.518   18.498   18.009   13.678   17.413   75.174   27.085   69.321   26.319 5.853180 37.76624 
1 1 1    4   50    0 o  128.175   11.142   57.362   9.7860   49.653   11.676   75.561   17.940  118.766   14.506  146.395   18.091 -27.62946 23.18856 
1 1 1    4   50    1 o  227.362   6.4220  178.974   10.106  199.607   14.065  156.957   14.530  240.068   8.4651  212.849   9.8629 27.21843 12.99743 
1 1 1    4   50    2 o  507.150   5.3425  890.371   18.753  893.855   26.412  886.829   26.630  508.056   7.5112  506.051   7.6032 2.004791 10.68769 
1 1 1    4   50    3 o  269.266   6.4204  251.041   11.965  259.268   19.348  245.946   15.226  273.529   10.220  266.472   8.2556 7.056763 13.13800 
1 1 1    4   50    4 o  857.581   6.7273  2546.74   39.929  2524.38   55.912  2570.02   57.042  853.530   9.4648  861.199   9.5700 -7.669250 13.45988 
1 1 1    4   50    5 o  130.844   14.703   60.200   13.084   62.634   18.882   57.951   18.149  132.401   21.330  127.232   21.367 5.168358 30.19108 
1 1 1    4   50    6 o  327.294   5.1733  370.891   11.719  380.856   16.142  359.788   17.040  331.589   7.0337  322.260   7.6398 9.329437 10.38455 
1 1 1    4   50    7 o  231.544   6.2137  185.689   9.9578  188.849   12.400  179.951   16.710  233.453   7.6744  227.753   10.601 5.700897 13.08715 
1 1 1    4   50    8 o  189.871   8.0897  124.968   10.631  132.049   20.787  122.460   12.371  194.116   15.604  187.652   9.5569 6.464554 18.29820 
1 1 1    4   50    9 o  403.475   5.4251  563.854   15.150  523.903   22.944  594.735   20.172  388.664   8.5295  414.250   7.0358 -25.58701 11.05690 
1 1 1    4   50   10 o  104.899   9.0862   38.476   6.5317   40.298   6.9759   25.522   18.602  107.324   9.4891   85.675   27.597 21.64856 29.18312 
1 1 1    4   50   11 o  128.436   6.9481   57.367   6.1534   29.420   16.467   61.903   6.6339   89.764   25.376  133.407   7.2116 -43.64316 26.38120 
1 1 1    4   50   12 o  187.021   15.211  123.219   19.519  123.219   19.519   0.0000   0.0000  187.021   15.211  ?   ?  0.000000 15.21147 
1 1 1    4   50   13 o  285.779   8.2958  283.784   16.408  299.024   24.409  271.220   22.163  292.689   12.050  278.859   11.483 13.82990 16.64507 
1 1 1    4   50   14 o  193.459   9.9328  130.763   13.255  134.000   19.440  127.951   18.119  194.803   14.523  190.509   13.836 4.294754 20.05921 
1 1 1    4   50   15 o   35.068   16.869 -17.3880   12.031  -7.1854   17.742 -26.0732   16.369   52.100   23.445   39.673   19.229 12.42689 30.32203 
1 1 1    4   52    0 o  149.119   9.7671   77.392   10.025   87.024   11.963   54.683   18.369  158.052   11.005  123.376   22.334 34.67606 24.89791 
1 1 1    4   52    1 o  187.084   7.2653  121.220   9.4073  120.641   12.888  121.880   13.763  186.299   10.032  187.202   10.666 -0.9029083 14.64317 
1 1 1    4   52    2 o  274.847   6.4384  261.589   12.247  259.756   20.187  262.657   15.407  273.724   10.656  275.355   8.0844 -1.630493 13.37527 
1 1 1    4   52    3 o  444.885   5.2937  685.256   16.300  704.358   23.359  667.127   22.756  450.934   7.4846  438.854   7.4920 12.07993 10.59005 
1 1 1    4   52    4 o  558.085   5.4745  1078.43   21.146  1040.03   29.007  1121.99   30.892  547.911   7.6491  569.075   7.8432 -21.16443 10.95559 
1 1 1    4   52    5 o  295.111   6.4551  301.644   13.185  310.210   15.643  280.634   24.499  299.223   7.5535  284.311   12.450 14.91190 14.56253 
1 1 1    4   52    6 o  128.236   10.132   57.398   8.9197   61.324   10.227   44.922   18.232  132.447   11.264  111.053   24.388 21.39444 26.86348 
1 1 1    4   52    7 o  265.897   5.3639  244.855   9.8713  246.648   13.519  242.806   14.447  266.781   7.3218  264.665   7.8870 2.116486 10.76169 
1 1 1    4   52    8 o  243.545   6.0251  205.488   10.156  200.829   14.775  209.661   13.983  240.612   8.8721  245.888   8.2167 -5.276001 12.09249 
1 1 1    4   52    9 o   63.237   14.174   14.484   6.0499   18.116   7.6040   8.2184   9.9866   70.658   15.930   54.423   20.083 16.23471 25.63326 
1 1 1    4   52   10 o   92.974   9.1098   30.301   5.7867   30.457   7.2211   30.021   9.6740   92.870   11.479   91.392   15.870 1.478142 19.58603 
1 1 1    4   52   11 o   52.537   15.280   9.8484   5.8898   9.8488   16.272   9.8484   6.3183   64.972   25.242   52.821   15.946 12.15177 29.85646 
1 1 1    4   52   12 o  143.340   13.066   72.367   12.820   49.902   18.887   91.561   17.458  116.141   24.278  160.760   15.899 -44.61852 29.02013 
1 1 1    4   52   13 o   73.625   21.420   19.752   11.572   61.366   17.970  -9.7366   15.127  129.844   20.690   46.038   21.080 83.80669 29.53706 
1 1 1    4   52   14 o   69.402   25.203   14.976   15.638   0.0000   0.0000   14.976   15.638  ?   ?    69.402   25.203 0.000000 25.20323 
1 1 1    4   52   15 o   42.921   20.657 -25.3707   18.097   0.0000   0.0000 -25.3707   18.097  ?   ?    42.921   20.657 0.000000 20.65676 
1 1 1    4   54    0 o  500.066   5.3626  865.855   18.560  871.517   26.032  860.001   26.469  501.564   7.4991  498.226   7.6761 3.337921 10.73121 
1 1 1    4   54    1 o  417.626   5.3301  603.903   15.406  631.063   22.143  578.417   21.449  426.797   7.4961  408.602   7.5846 18.19592 10.66388 
1 1 1    4   54    2 f  460.266   5.2655  733.519   16.774  725.637   23.409  741.836   24.046  457.661   7.3903  462.733   7.5083 -5.071899 10.53527 
1 1 1    4   54    3 o  141.427   8.8065   69.600   8.5773   84.043   11.830   53.590   12.455  155.242   11.083  123.263   14.901 31.97859 18.57107 
1 1 1    4   54    4 o  161.153   9.6242   90.384   10.685   75.512   18.168   98.249   13.212  146.023   18.385  167.855   11.441 -21.83232 21.65369 
1 1 1    4   54    5 o  189.960   7.5377  125.054   9.9101  128.516   12.142  118.146   17.152  192.507   9.1129  183.848   13.576 8.659775 16.35081 
1 1 1    4   54    6 o  241.078   5.8243  201.316   9.7180  211.527   13.368  189.872   14.152  247.022   7.8191  233.986   8.7388 13.03551 11.72630 
1 1 1    4   54    7 o  227.973   5.8711  180.047   9.2636  196.467   12.852  162.292   13.364  238.042   7.8009  216.286   8.9276 21.75632 11.85566 
1 1 1    4   54    8 o   86.207   12.204   26.360   7.0780   30.530   9.0299   19.715   11.399   92.475   14.592   73.996   21.181 18.47951 25.72105 
1 1 1    4   54   10 f  182.795   5.8162  115.816   7.3583  117.142   9.7325  114.048   11.243  183.730   7.6536  181.194   8.9649 2.535675 11.78760 
1 1 1    4   54   11 o  246.941   6.9682  211.590   11.909  247.902   21.900  196.342   14.191  266.617   11.868  237.708   8.6259 28.90909 14.67143 
1 1 1    4   54   12 o  237.976   9.2903  197.069   15.302  221.219   23.509  179.317   20.156  250.996   13.583  226.062   12.936 24.93335 18.75762 
1 1 1    4   54   13 f  108.159   21.887   43.327   15.822   0.0000   0.0000   43.327   15.822  ?   ?   108.159   21.887 0.000000 21.88664 
1 1 1    4   54   14 o  118.802   16.401   50.920   13.126   45.210   18.261   57.024   18.880  109.278   24.723  123.688   22.897 -14.40931 33.69720 
1 1 1    4   56    0 o  261.204   5.9211  236.304   10.704  239.634   14.857  232.710   15.436  262.938   8.1640  259.088   8.6082 3.849701 11.86388 
1 1 1    4   56    1 o  165.422   7.8051   94.837   8.9361  107.967   12.126   79.229   13.220  176.138   9.9878  150.471   12.816 25.66725 16.24841 
1 1 1    4   56    2 o   86.619   13.807   26.728   7.9995   9.4736   10.725   48.367   12.010   57.431   20.870  116.920   15.201 -59.48918 25.81890 
1 1 1    4   56    3 o  190.603   8.4267  125.956   11.116  134.390   19.047  121.599   13.690  196.050   14.132  186.875   10.628 9.174805 17.68277 
1 1 1    4   56    4 o  334.474   6.0805  387.546   14.076  389.457   17.341  383.854   24.101  335.209   7.4745  332.538   10.472 2.671112 12.86568 
1 1 1    4   56    5 o  328.161   5.3537  372.993   12.160  366.499   16.867  380.020   17.545  325.156   7.4950  331.087   7.6567 -5.931213 10.71448 
1 1 1    4   56    6 o  135.598   8.5597   64.037   7.9920   69.119   10.996   58.345   11.636  140.565   11.400  128.802   13.242 11.76323 17.47319 
1 1 1    4   56    7 o  307.089   6.3653  326.835   13.529  343.016   16.247  290.244   24.432  314.510   7.4638  288.805   12.223 25.70447 14.32168 
1 1 1    4   56    9 o   46.219   16.199   6.6327   6.4019   10.079   8.2243   1.3327   10.198   55.055   18.386   45.715   19.158 9.339802 26.55334 
1 1 1    4   56   10 o  361.800   5.4646  453.722   13.684  450.892   17.029  458.878   22.987  360.507   6.8251  363.320   9.1416 -2.813751 11.40836 
1 1 1    4   56   11 o  166.220   7.0384   95.909   8.0972   98.336   8.9808   85.366   18.720  168.257   7.7120  154.567   17.826 13.69025 19.42237 
1 1 1    4   56   12 o   61.524   13.342   13.770   5.5177   25.600   20.006   12.796   5.7404   85.335   28.676   59.211   14.192 26.12427 31.99552 
1 1 1    4   56   13 f  162.611   12.794   93.359   14.282  120.634   22.300   74.390   18.597  183.402   17.792  143.165   19.257 40.23759 26.21777 
1 1 1    4   58    0 o  239.354   7.0631  198.544   11.701  216.537   19.745  188.807   14.526  249.671   11.426  233.305   8.9959 16.36594 14.54270 
1 1 1    4   58    1 o  187.755   7.1627  122.176   9.3078  126.834   12.896  117.112   13.448  190.927   9.7922  183.350   10.643 7.576797 14.46228 
1 1 1    4   58    2 f   87.959   15.846   27.787   9.2917   27.896   10.917   27.502   17.701   87.706   18.563   87.911   26.724 -0.2050018 32.53793 
1 1 1    4   58    3 o  268.735   6.7803  250.280   12.611  260.762   14.877  223.512   23.774  274.238   7.8379  253.041   13.625 21.19702 15.71856 
1 1 1    4   58    4 o  214.642   6.3834  159.650   9.4830  147.729   13.021  173.112   13.838  206.327   9.1186  223.362   8.9510 -17.03526 12.77771 
1 1 1    4   58    5 o  242.829   7.0750  204.424   11.891  213.073   21.431  200.577   14.292  247.119   12.572  240.431   8.5889 6.688065 15.22542 
1 1 1    4   58    6 o  406.843   5.8719  573.573   16.534  651.707   28.992  535.908   20.129  433.167   9.6703  393.102   7.3983 40.06561 12.17577 
1 1 1    4   58    7 o   75.746   14.606   20.703   7.3796   22.918   9.9209   17.960   11.041   79.244   18.436   70.834   21.011 8.409653 27.95234 
1 1 1    4   58    8 o  150.668   7.7728   78.997   8.0778   81.300   10.643   75.868   12.406  152.563   10.137  147.023   12.305 5.540497 15.94289 
1 1 1    4   58    9 o  143.275   7.6857   71.470   7.5935   77.344   9.9546   63.296   11.743  148.802   9.7192  134.046   12.814 14.75636 16.08311 
1 1 1    4   58   10 o  159.655   10.638   89.216   11.688   0.0000   0.0000   89.216   11.688  ?   ?   159.655   10.638 0.000000 10.63795 
1 1 1    4   58   11 o   90.440   9.8092   28.827   6.0416   26.538   7.9683   31.924   9.2659   85.939   13.869   94.259   14.681 -8.319511 20.19630 
1 1 1    4   58   12 o  135.669   7.0571   64.133   6.6036   84.146   21.127   61.966   6.9520  152.011   20.613  133.282   7.5675 18.72845 21.95797 
1 1 1    4   60    0 o  152.874   9.9508   81.494   10.471  119.463   18.948   64.801   12.564  184.489   14.969  135.746   13.554 48.74321 20.19347 
1 1 1    4   60    1 o  215.394   6.5760  160.795   9.8033  173.947   13.810  147.434   13.919  223.888   8.9121  206.064   9.7592 17.82442 13.21622 
1 1 1    4   60    2 o  262.156   5.8970  238.127   10.700  252.679   14.988  223.003   15.279  269.904   8.0233  253.508   8.7083 16.39665 11.84091 
1 1 1    4   60    3 o  304.297   5.5400  320.804   11.668  331.138   16.315  309.986   16.693  309.000   7.6286  298.929   8.0685 10.07053 11.10389 
1 1 1    4   60    4 o  301.151   5.4520  314.214   11.364  308.650   15.823  320.139   16.330  298.302   7.6640  303.794   7.7667 -5.491791 10.91135 
1 1 1    4   60    5 o   56.054   17.753   10.851   7.7227   9.2878   11.236   12.251   10.632   57.647   21.296   61.297   20.903 -3.650070 29.84067 
1 1 1    4   60    6 o  192.080   6.7235  127.943   8.9383  135.721   12.631  120.141   12.650  197.651   9.2335  185.649   9.8809 12.00238 13.52369 
1 1 1    4   60    7 o  152.652   7.5813   80.875   8.0098   88.832   11.020   71.962   11.663  159.502   10.033  143.213   11.873 16.28885 15.54500 
1 1 1    4   60    8 o  181.126   7.9422  113.932   9.9563  126.894   11.592   77.463   19.443  191.079   8.7650  146.824   19.624 44.25487 21.49253 
1 1 1    4   60    9 o  256.004   5.6270  227.251   9.9701  251.988   13.814  200.357   14.404  269.381   7.4093  240.051   8.6697 29.33017 11.40446 
1 1 1    4   60   10 o  284.098   9.9283  281.268   19.522   0.0000   0.0000  281.268   19.522  ?   ?   284.098   9.9283 0.000000 9.928309 
1 1 1    4   60   11 o   57.181   16.119   11.875   6.6536   1.6527   8.9992   24.201   9.8818   43.320   18.062   81.016   18.082 -37.69630 25.55752 
1 1 1    4   62    0 o   98.956   12.332   34.616   8.2625   44.382   11.619   24.627   11.751  111.675   15.447   82.066   20.694 29.60850 25.82321 
1 1 1    4   62    1 o  119.458   12.285   50.206   10.012   85.122   17.627   33.577   12.165  155.080   16.685   96.175   18.949 58.90504 25.24826 
1 1 1    4   62    2 o  228.396   7.1920  180.916   11.369  201.419   14.088  142.634   19.250  240.890   8.4500  201.731   13.872 39.15865 16.24302 
1 1 1    4   62    3 o  142.930   10.061   71.358   9.8892   72.612   11.713   68.244   18.453  143.928   11.864  137.884   19.914 6.043854 23.18000 
1 1 1    4   62    4 o   77.220   14.860   21.534   7.6537   25.399   10.763   17.580   10.887   83.351   19.070   70.088   20.880 13.26327 28.27753 
1 1 1    4   62    5 o  149.710   8.3032   78.064   8.5697   73.776   12.138   82.327   12.101  144.972   12.211  153.317   11.488 -8.345200 16.76491 
1 1 1    4   62    6 o   45.096   17.239   4.9481   7.5027   7.0295   10.870   3.0540   10.369   53.900   20.715   48.006   19.638 5.893616 28.54439 
1 1 1    4   62    7 o   79.739   14.130   22.902   7.5129   8.0325   10.284   39.920   11.002   54.345   20.315  105.587   15.518 -51.24289 25.56345 
1 1 1    4   62    8 o  289.103   6.0476  289.919   12.101  302.580   15.348  269.122   19.671  295.159   7.5133  277.932   10.226 17.22678 12.68939 
1 1 1    4   62    9 o   73.068   14.961   19.436   7.3112   22.646   9.4839   14.733   11.479   78.489   17.860   65.505   21.715 12.98378 28.11650 
1 1 1    4   62   10 o  117.005   9.3673   48.020   7.5221   53.723   9.9785   40.512   11.448  123.335   11.835  105.936   16.123 17.39910 20.00018 
1 1 1    4   64    0 o   58.163   17.992   11.865   7.9812   5.2315   10.762   19.973   11.898   51.452   20.366   74.393   21.741 -22.94100 29.78973 
1 1 1    4   64    1 o   55.380   20.921   7.9771   10.967   7.9771   10.967   0.0000   0.0000   55.380   20.921  ?   ?  0.000000 20.92071 
1 1 1    4   64    2 o  325.309   5.4976  366.770   12.378  374.147   17.296  359.026   17.722  328.338   7.6111  321.591   7.9620 6.746948 11.01467 
1 1 1    4   64    3 o   49.035   17.601   7.1793   7.5988   2.4088   10.417   12.605   11.109   47.351   19.562   62.206   21.364 -14.85406 28.96715 
1 1 1    4   64    4 o   87.100   17.925   27.653   10.446   29.512   13.179   24.512   17.131   89.488   21.538   83.092   26.455 6.395721 34.11372 
1 1 1    4   64    5 o  165.260   7.7514   94.839   8.8659  107.660   12.761   82.876   12.327  175.508   10.555  153.717   11.673 21.78995 15.73758 
1 1 1    4   64    7 o   97.691   17.677   34.699   11.512   57.220   19.078   21.805   14.436  124.601   22.969   77.837   24.218 46.76394 33.37784 
1 1 1    4   64    8 o  249.046   8.3094  215.749   14.323   0.0000   0.0000  215.749   14.323  ?   ?   249.046   8.3094 0.000000 8.309392 
1 1 1    4   66    0 o   35.064   15.890  -4.6534   8.3163 -11.1314   11.349   2.8604   12.222   37.392   17.509   51.184   21.171 -13.79210 27.47261 
1 1 1    4   66    1 f  131.092   9.7478   60.117   8.7810   64.711   12.188   55.160   12.662  135.457   13.167  124.596   14.984 10.86136 19.94665 
1 1 1    4   66    2 o  302.600   6.6485  317.689   13.924  371.024   26.076  296.415   16.468  326.172   11.551  292.105   8.1459 34.06693 14.13441 
1 1 1    4   66    3 o  183.735   7.9569  117.269   10.118  135.805   16.381  105.834   12.866  196.875   12.080  173.951   10.739 22.92395 16.16395 
1 1 1    4   66    4 o  126.039   9.5805   55.606   8.2948   64.240   11.681   46.824   11.781  134.994   12.650  114.525   15.241 20.46893 19.80685 
1 1 1    4   66    5 o  123.430   10.115   53.430   8.5648   51.180   12.097   55.693   12.128  119.844   14.906  125.238   14.246 -5.394073 20.61867 
1 1 1    4   66    6 o  101.687   12.020   36.643   8.2958   68.496   11.708   4.5274   11.756  139.413   12.259   52.043   21.051 87.37035 24.36055 
1 1 1    4   66    7 f  192.904   6.8277  129.251   9.1157  134.331   12.882  124.157   12.901  196.322   9.4809  188.422   9.9275 7.900375 13.72746 
1 1 1    4   66    8 o  158.598   7.8395   87.522   8.6053   76.338   11.793  100.261   12.585  147.187   11.672  168.998   10.816 -21.81143 15.91326 
1 1 1    4   68    0 o  247.235   6.5142  212.119   11.147  246.258   16.134  180.945   15.418  266.088   8.7609  227.948   9.7725 38.13936 13.12455 
1 1 1    4   68    1 o  132.655   9.6685   61.594   8.8158   58.625   12.373   64.657   12.564  128.561   14.139  135.201   13.612 -6.639740 19.62640 
1 1 1    4   68    2 o  173.582   7.8758  104.708   9.4618  114.825   13.783   95.691   13.012  181.078   11.051  165.168   11.454 15.91022 15.91543 
1 1 1    4   68    3 o   32.618   15.107  -6.6842   8.0903 -10.9134   11.438  -2.4506   11.444   37.652   17.614   44.269   19.432 -6.616982 26.22651 
1 1 1    4   68    4 o  175.071   7.5285  106.511   9.1222  119.356   13.176   94.685   12.642  184.702   10.349  164.283   11.185 20.41893 15.23817 
1 1 1    4   68    5 o  130.866   10.875   60.220   9.7608   59.366   11.820   62.049   17.305  129.400   13.392  130.571   19.768 -1.170715 23.87729 
1 1 1    4   68    6 o  104.094   11.718   38.402   8.2954   41.884   11.741   34.931   11.722  107.674   16.262   97.685   18.001 9.989449 24.25865 
1 1 1    4   70    0 o   94.419   16.208   32.319   10.210   36.577   12.198   22.351   18.662  100.051   18.289   80.598   27.689 19.45328 33.18433 
1 1 1    4   70    1 o   38.324   16.752  -1.5749   8.4268   0.8891   11.914  -4.0413   11.920   48.322   20.502   43.780   19.494 4.541550 28.29046 
1 1 1    4   70    2 o  212.166   6.9442  156.384   10.197  162.097   14.260  150.405   14.587  215.632   9.5550  207.612   10.152 8.020447 13.94116 
1 1 1    4   70    3 o  228.288   6.6184  181.015   10.457  193.334   14.828  168.826   14.749  235.544   9.0957  220.006   9.6864 15.53719 13.28758 
1 1 1    4   70    4 o   98.489   12.719   34.590   8.4675   33.356   12.076   35.783   11.876   95.097   19.012   98.846   18.024 -3.748520 26.19752 
1 1 1    5    1    0 o  1971.99   13.249 13460.32  180.824 13598.00  258.633 13328.66  252.911  1981.82   18.856  1962.11   18.624 19.71399 26.50246 
1 1 1    5    1    1 o  1120.76   7.9033  4347.18   61.306  4324.44   86.276  4370.37   87.129  1117.78   11.152  1123.70   11.203 -5.919800 15.80748 
1 1 1    5    1    2 o  1016.81   7.2878  3578.14   51.287  3652.19   73.992  3509.66   71.153  1027.24   10.407  1007.00   10.209 20.24164 14.57873 
1 1 1    5    1    3 o  794.657   6.0022  2185.39   33.012  2166.41   46.315  2205.00   47.065  791.178   8.4580  798.193   8.5194 -7.015137 12.00496 
1 1 1    5    1    4 o  106.147   5.6954   39.105   4.1689   37.883   7.2351   39.713   5.1007  104.123   10.170  106.897   6.9317 -2.773300 12.30722 
1 1 1    5    1    5 o  1326.64   9.2066  6091.46   84.533  6041.39  118.523  6143.31  120.600  1321.07   12.963  1332.16   13.080 -11.09314 18.41535 
1 1 1    5    1    6 o  532.865   4.7499  982.672   17.518  960.000   24.391  1006.83   25.176  526.665   6.6913  539.357   6.7442 -12.69110 9.500394 
1 1 1    5    1    7 o  1232.93   9.9999  5263.31   85.331  5273.17  147.971  5258.40  104.448  1233.41   17.334  1232.19   12.248 1.225342 21.22404 
1 1 1    5    1    8 o  808.990   7.1620  2265.71   40.101  2285.29   49.491  2228.29   68.423  812.397   8.8020  801.973   12.327 10.42371 15.14719 
1 1 1    5    1    9 o  516.667   4.8063  923.902   17.187  932.944   24.458  915.082   24.157  519.155   6.8069  514.162   6.7883 4.993591 9.613276 
1 1 1    5    1   10 o  451.703   4.6382  706.143   14.500  721.400   20.727  691.520   20.292  456.535   6.5599  446.981   6.5594 9.554565 9.276733 
1 1 1    5    1   11 o  924.575   7.9799  2958.93   51.064  2982.11   63.025  2914.63   87.120  928.133   9.8113  917.414   13.721 10.71863 16.86766 
1 1 1    5    1   12 o  996.880   7.3489  3439.79   50.704  3422.20   71.355  3457.74   72.064  994.214   10.370  999.362   10.419 -5.147339 14.69971 
1 1 1    5    1   13 o  362.955   4.7870  455.942   12.025  465.677   17.152  446.531   16.864  366.785   6.7566  359.166   6.7840 7.619446 9.574718 
1 1 1    5    1   14 o  325.350   5.7881  366.406   13.034  372.009   16.089  355.707   22.232  327.807   7.0912  320.482   10.023 7.325226 12.27771 
1 1 1    5    1   15 o  431.750   5.0170  645.259   14.992  637.630   21.084  653.059   21.321  429.129   7.0989  434.290   7.0933 -5.161041 10.03543 
1 1 1    5    1   16 f  502.486   5.1526  874.189   17.920  877.782   25.418  870.638   25.267  503.395   7.2956  501.343   7.2818 2.051666 10.30777 
1 1 1    5    1   17 o  459.209   5.8772  730.427   18.679  738.743   23.079  714.634   31.804  461.705   7.2223  453.798   10.126 7.907013 12.43771 
1 1 1    5    1   18 o  398.146   5.9073  549.296   16.278  560.488   28.593  543.929   19.800  401.642   10.286  396.066   7.2231 5.575684 12.56882 
1 1 1    5    1   19 o  158.769   10.631   88.123   11.614   88.123   11.614   0.0000   0.0000  158.769   10.631  ?   ?  0.000000 10.63063 
1 1 1    5    1   20 o  237.678   6.9489  196.132   11.431  190.358   13.864  208.390   20.201  233.955   8.5621  244.212   11.952 -10.25661 14.70206 
1 1 1    5    1   21 o  180.771   6.8931  113.565   8.6243  113.242   12.195  113.887   12.198  179.860   9.8335  180.379   9.8079 -0.5182953 13.88859 
1 1 1    5    1   22 o   67.075   16.846   16.721   7.8099   16.430   11.260   16.991   10.841   67.287   21.451   68.011   20.958 -0.7235031 29.98980 
1 1 1    5    3    0 o  1825.03   12.314 11528.52  155.540 11443.87  218.185 11616.01  221.794  1818.14   17.339  1831.76   17.495 -13.61694 24.63118 
1 1 1    5    3    1 o  1252.23   8.7140  5426.96   75.522  5481.95  107.935  5374.23  105.710  1258.49   12.392  1246.07   12.257 12.42334 17.42982 
1 1 1    5    3    2 o  1089.18   7.7209  4105.63   58.203  4147.73   83.141  4065.16   81.506  1094.70   10.973  1083.75   10.866 10.94922 15.44322 
1 1 1    5    3    3 o  1579.99   12.430  8640.75  135.931  8589.88  165.468  8746.34  238.385  1575.24   15.177  1589.25   21.672 -14.00781 26.45827 
1 1 1    5    3    4 o  2468.52   16.452 21096.32  281.088 21207.08  399.934 20988.19  395.145  2474.45   23.353  2461.66   23.193 12.78906 32.91264 
1 1 1    5    3    5 o  631.905   5.9965  1381.92   26.225  1384.39   45.695  1380.70   32.025  632.426   10.439  631.617   7.3259 0.8091431 12.75348 
1 1 1    5    3    6 o  972.643   10.021  3274.78   67.460  3371.71   97.809  3186.83   93.167  986.782   14.321  959.359   14.031 27.42365 20.04942 
1 1 1    5    3    7 o  374.317   4.8688  484.937   12.614  486.540   15.551  481.854   21.567  374.922   5.9928  373.077   8.3524 1.845703 10.27990 
1 1 1    5    3    8 o  680.534   5.5255  1603.05   26.025  1588.95   36.552  1617.56   37.064  677.455   7.7956  683.525   7.8347 -6.069641 11.05234 
1 1 1    5    3    9 o  1103.19   7.9086  4213.06   60.384  4279.04   86.697  4150.89   84.153  1111.59   11.269  1094.83   11.106 16.76135 15.82157 
1 1 1    5    3   10 o  433.967   5.2907  651.797   15.891  638.548   19.265  680.000   28.108  429.521   6.4805  443.203   9.1633 -13.68237 11.22334 
1 1 1    5    3   11 o  862.995   6.5725  2577.71   39.257  2604.24   56.063  2552.18   54.988  867.354   9.3390  858.643   9.2529 8.712036 13.14660 
1 1 1    5    3   12 o  473.959   5.6390  777.477   18.498  820.976   33.480  758.365   22.193  486.968   9.9337  468.082   6.8503 18.88553 12.06670 
1 1 1    5    3   13 o  546.853   5.9244  1035.09   22.423  1032.68   38.512  1036.32   27.580  546.109   10.189  547.150   7.2830 -1.040955 12.52446 
1 1 1    5    3   14 o  970.154   7.2549  3258.41   48.713  3237.33   68.569  3279.90   69.218  966.812   10.247  973.145   10.277 -6.333008 14.51276 
1 1 1    5    3   15 o  359.299   5.7755  446.914   14.362  447.688   17.591  445.366   24.873  359.577   7.0686  358.540   10.023 1.036499 12.26502 
1 1 1    5    3   16 o  309.793   5.1101  332.277   10.957  332.256   15.347  332.299   15.647  309.712   7.1598  309.726   7.2993 -0.1419067E-01 10.22458 
1 1 1    5    3   17 o  419.915   5.0517  610.625   14.682  614.105   20.777  607.154   20.750  420.964   7.1310  418.572   7.1625 2.391998 10.10705 
1 1 1    5    3   18 o  440.470   5.9349  672.299   18.093  703.903   32.192  657.707   21.875  450.090   10.334  435.518   7.2571 14.57132 12.62760 
1 1 1    5    3   19 o  107.211   11.921   40.551   8.6959   21.946   13.978   52.297   11.107   78.182   23.743  121.653   13.415 -43.47083 27.27049 
1 1 1    5    3   20 o  164.745   8.3446   94.609   9.4836   93.171   16.349   95.338   11.643  162.251   14.719  165.080   10.241 -2.829071 17.93097 
1 1 1    5    3   21 o  166.876   8.4594   97.230   9.7384  104.680   12.143   83.805   16.302  172.827   10.197  153.219   15.589 19.60762 18.62823 
1 1 1    5    5    0 o  394.324   5.6855  538.112   15.517   0.0000   0.0000  538.112   15.517  ?   ?   394.324   5.6855 0.000000 5.685466 
1 1 1    5    5    1 o  2526.90   16.826 22104.84  294.271 21950.95  412.997 22263.54  419.400  2517.62   23.702  2535.47   23.900 -17.84668 33.65957 
1 1 1    5    5    2 o  1291.31   10.341  5771.30   92.425  5823.21  114.288  5673.17  157.127  1297.06   12.731  1280.10   17.735 16.95398 21.83136 
1 1 1    5    5    3 o  3042.88   20.166 32060.81  424.697 31764.03  594.285 32370.58  607.146  3027.88   28.358  3056.60   28.700 -28.72900 40.34677 
1 1 1    5    5    4 o  1312.08   9.1066  5958.36   82.697  5953.52  116.861  5963.21  117.042  1311.46   12.875  1312.53   12.884 -1.066162 18.21434 
1 1 1    5    5    5 o  1185.50   8.3448  4864.17   68.468  4813.79   95.802  4916.77   97.890  1179.26   11.738  1191.80   11.867 -12.54272 16.69169 
1 1 1    5    5    6 o  823.353   7.2106  2346.34   41.090  2348.29   71.610  2345.38   50.171  823.557   12.563  823.151   8.8064 0.4058228 15.34239 
1 1 1    5    5    7 o  1222.01   8.5977  5169.95   72.716  5100.10  101.401  5243.91  104.335  1213.46   12.074  1230.43   12.252 -16.97351 17.20107 
1 1 1    5    5    8 o  604.970   5.1640  1266.78   21.622  1282.54   30.922  1251.70   30.246  608.660   7.3403  601.299   7.2677 7.360474 10.32950 
1 1 1    5    5    9 o  465.640   5.3559  750.439   17.261  772.748   21.389  708.781   29.229  472.492   6.5406  452.459   9.3337 20.03320 11.39723 
1 1 1    5    5   10 o  1259.35   8.8665  5490.12   77.281  5563.43  110.769  5420.60  107.873  1267.51   12.627  1251.15   12.457 16.36414 17.73751 
1 1 1    5    5   11 o  236.381   4.8202  193.379   7.8859  194.065   11.224  192.710   11.082  236.789   6.8486  235.962   6.7859 0.8274536 9.641174 
1 1 1    5    5   12 o  877.953   7.6895  2668.09   46.725  2750.73   82.908  2629.63   56.563  891.210   13.441  871.547   9.3770 19.66339 16.38892 
1 1 1    5    5   13 o  1315.24   10.688  5990.32   97.296  6078.05  171.585  5948.74  118.122  1323.91   18.726  1310.45   13.024 13.46021 22.80955 
1 1 1    5    5   14 o  556.020   5.2738  1070.10   20.295  1076.97   28.927  1063.43   28.481  557.741   7.4937  554.226   7.4250 3.515137 10.54924 
1 1 1    5    5   15 o  362.978   4.9918  456.072   12.540  446.720   17.601  465.715   17.872  359.185   7.0800  366.743   7.0410 -7.558197 9.985134 
1 1 1    5    5   16 o  286.587   5.2735  284.372   10.460  301.040   14.829  267.866   14.757  294.797   7.2678  278.064   7.6679 16.73306 10.56492 
1 1 1    5    5   17 o  167.013   7.0383   96.660   8.1357  102.136   11.552   91.272   11.459  171.291   9.7851  161.841   10.284 9.449722 14.19520 
1 1 1    5    5   18 o  340.592   7.2601  402.253   17.114  412.634   24.054  391.610   24.355  344.633   10.084  335.685   10.483 8.947571 14.54587 
1 1 1    5    5   19 o  137.637   9.5444   66.179   9.0359   49.415   16.177   73.782   10.894  116.545   20.819  145.163   10.923 -28.61848 23.51039 
1 1 1    5    5   20 o  166.095   8.4115   96.177   9.6381   95.669   12.068   97.073   16.016  165.297   10.604  165.779   14.093 -0.4825439 17.63671 
1 1 1    5    5   21 o  174.462   7.1546  105.817   8.6390  117.246   12.638   95.791   11.836  182.971   10.017  165.251   10.402 17.72031 14.44139 
1 1 1    5    7    1 f  604.975   5.7465  1266.61   24.061  1264.79   29.474  1270.24   41.660  604.533   7.0443  605.816   9.9358 -1.282715 12.17962 
1 1 1    5    7    2 o  651.630   5.2292  1469.49   23.584  1435.71   32.742  1505.90   33.999  644.086   7.3448  659.642   7.4471 -15.55603 10.45970 
1 1 1    5    7    3 o  1461.88   10.034  7396.67  101.523  7330.09  142.214  7465.86  144.975  1455.18   14.121  1468.59   14.263 -13.41052 20.07059 
1 1 1    5    7    4 o  1221.45   9.8852  5163.80   83.567  5112.19  143.575  5190.24  102.769  1215.13   17.072  1224.52   12.126 -9.392700 20.94017 
1 1 1    5    7    5 o  1453.11   11.530  7309.20  115.956  7346.34  201.537  7290.82  141.773  1456.37   19.994  1451.18   14.115 5.194092 24.47489 
1 1 1    5    7    6 o  541.699   4.7806  1015.54   17.923  1006.99   25.229  1024.26   25.468  539.391   6.7580  543.997   6.7643 -4.606262 9.561672 
1 1 1    5    7    7 o  931.696   7.9518  3005.22   51.276  3062.93   90.864  2978.25   62.111  940.192   13.964  927.414   9.6765 12.77856 16.98872 
1 1 1    5    7    8 o  1417.54   11.325  6960.23  111.105  6957.41  136.178  6965.85  192.150  1416.92   13.886  1416.80   19.596 0.1253662 24.01694 
1 1 1    5    7    9 o  533.959   4.8933  986.774   18.084  983.949   25.554  989.608   25.594  533.161   6.9250  534.692   6.9161 -1.531189 9.787148 
1 1 1    5    7   10 o  986.514   8.3824  3368.83   57.233  3430.29   71.199  3256.58   96.215  995.398   10.335  969.671   14.336 25.72662 17.67324 
1 1 1    5    7   11 o  963.591   7.1346  3213.77   47.581  3261.27   68.252  3168.85   66.369  970.591   10.160  956.744   10.023 13.84729 14.27182 
1 1 1    5    7   12 o  1197.61   8.5229  4965.02   70.645  5068.06  102.075  4870.29   97.872  1209.77   12.191  1185.95   11.924 23.82104 17.05279 
1 1 1    5    7   13 o  1204.16   8.5844  5020.05   71.543  5124.62  103.394  4923.99   99.097  1216.35   12.282  1192.33   12.009 24.02405 17.17688 
1 1 1    5    7   14 o  688.794   5.7934  1642.27   27.618  1642.91   39.137  1641.64   38.981  688.833   8.2090  688.569   8.1795 0.2644043 11.58845 
1 1 1    5    7   15 f  633.590   6.4178  1389.88   28.143  1371.10   34.270  1428.78   49.319  629.216   7.8694  642.079   11.098 -12.86304 13.60490 
1 1 1    5    7   16 o  603.942   5.5046  1262.97   23.009  1294.94   33.097  1233.06   32.009  611.357   7.8221  596.577   7.7523 14.77954 11.01287 
1 1 1    5    7   17 o  369.720   5.8629  473.498   15.002  470.390   26.835  474.911   18.094  368.104   10.533  370.190   7.0622 -2.085663 12.68155 
1 1 1    5    7   18 o  245.755   5.6302  209.264   9.5764  216.323   13.658  202.436   13.431  249.715   7.9024  241.557   8.0337 8.158234 11.26889 
1 1 1    5    7   19 o   91.724   11.767   29.798   7.2979   27.187   10.306   32.423   10.335   86.382   17.830   94.839   16.335 -8.457420 24.18123 
1 1 1    5    7   20 o  166.730   8.4010   96.917   9.6633   68.780   17.035  110.266   11.734  138.270   18.247  177.681   9.5770 -39.41159 20.60733 
1 1 1    5    7   21 o  141.302   11.335   70.341   10.992   70.341   15.354   70.341   15.743  140.050   16.136  139.915   16.580 0.1350555 23.13542 
1 1 1    5    9    0 o  1429.78   11.356  7075.65  112.376  7144.36  139.064  6946.34  190.771  1436.64   13.986  1416.41   19.460 20.23010 23.96462 
1 1 1    5    9    1 o  2750.37   18.283 26189.95  348.020 25835.35  484.665 26567.41  500.045  2731.06   25.641  2769.44   26.088 -38.37744 36.57918 
1 1 1    5    9    2 o  2166.53   14.508 16248.37  217.552 16254.24  307.780 16242.50  307.551  2166.58   20.525  2165.80   20.517 0.7822266 29.02146 
1 1 1    5    9    3 o  781.997   5.9626  2116.32   32.272  2034.48   44.058  2211.07   47.403  766.707   8.3028  799.286   8.5689 -32.57922 11.93151 
1 1 1    5    9    4 o  1917.33   14.910 12726.76  197.857 12702.44  341.644 12739.04  242.699  1914.71   25.781  1918.05   18.282 -3.342285 31.60514 
1 1 1    5    9    5 o  712.658   5.6069  1757.69   27.656  1754.85   39.065  1760.55   39.157  712.054   7.9268  713.210   7.9326 -1.156006 11.21433 
1 1 1    5    9    6 o  889.841   6.6100  2740.63   40.709  2763.77   58.003  2718.17   57.148  893.506   9.3794  886.107   9.3184 7.399719 13.22141 
1 1 1    5    9    7 o  743.229   5.8199  1912.04   29.937  1920.68   42.506  1903.53   42.172  744.817   8.2456  741.486   8.2175 3.330627 11.64120 
1 1 1    5    9    8 o  857.358   7.4518  2544.70   44.218  2544.86   54.356  2544.39   76.030  857.301   9.1609  856.985   12.818 0.3164063 15.75546 
1 1 1    5    9    9 f  634.409   5.3248  1392.99   23.380  1413.43   33.525  1373.63   32.623  639.002   7.5803  629.942   7.4826 9.059998 10.65129 
1 1 1    5    9   10 o  494.876   4.7871  847.579   16.396  862.069   23.564  833.980   22.829  499.065   6.8222  490.869   6.7197 8.196564 9.575830 
1 1 1    5    9   11 o  1244.27   10.133  5359.72   87.261  5360.98  150.703  5359.08  107.029  1243.93   17.504  1244.07   12.430 -0.1367188 21.46887 
1 1 1    5    9   12 o  215.171   5.1628  160.239   7.6886  163.343   11.298  157.561   10.493  217.230   7.5149  213.354   7.1059 3.876144 10.34247 
1 1 1    5    9   13 o  389.840   4.7865  525.995   12.915  544.255   18.767  509.569   17.799  396.519   6.8382  383.678   6.7029 12.84122 9.575520 
1 1 1    5    9   14 o  447.077   4.9478  691.831   15.310  685.352   21.648  698.315   21.655  444.931   7.0300  449.121   6.9664 -4.189758 9.897062 
1 1 1    5    9   15 o  294.140   5.1437  299.501   10.471  300.942   14.919  298.103   14.701  294.796   7.3119  293.404   7.2397 1.392120 10.28964 
1 1 1    5    9   16 o  275.661   5.2891  263.113   10.091  248.757   14.204  277.742   14.338  267.952   7.6592  283.147   7.3166 -15.19531 10.59227 
1 1 1    5    9   17 o  105.034   13.889   39.050   9.8488   47.698   13.224   28.278   14.759  115.709   17.021   88.172   23.683 27.53717 29.16480 
1 1 1    5    9   18 o  289.036   5.2643  289.426   10.531  276.370   14.735  303.057   15.056  282.276   7.5424  295.607   7.3590 -13.33084 10.53771 
1 1 1    5    9   19 o  262.006   5.4668  237.941   9.9133  244.161   14.031  231.741   14.008  265.204   7.6441  258.351   7.8342 6.853455 10.94565 
1 1 1    5    9   20 o  140.336   9.1884   68.852   8.8753   72.183   11.233   63.317   14.479  143.318   11.419  133.145   16.035 10.17326 19.68531 
1 1 1    5    9   21 o   87.561   14.385   27.710   8.4147   23.880   10.499   34.590   14.071   80.160   19.180   96.120   21.669 -15.95956 28.93862 
1 1 1    5   11    0 o  1305.07   10.470  5895.01   94.574  5941.46  165.111  5872.32  115.376  1309.99   18.211  1302.51   12.798 7.485352 22.25836 
1 1 1    5   11    1 o  1412.92   9.7352  6909.41   95.201  6857.44  133.592  6963.04  135.701  1407.49   13.714  1418.29   13.824 -10.79309 19.47247 
1 1 1    5   11    2 f  2172.26   14.553 16334.81  218.792 16115.16  304.821 16568.24  314.232  2157.27   20.416  2187.36   20.756 -30.09155 29.11409 
1 1 1    5   11    3 o  3618.86   33.879 45408.80  848.544   0.0000   0.0000 45408.80  848.544  ?   ?   3618.86   33.879 0.000000 33.87866 
1 1 1    5   11    4 o  465.451   4.3960  749.741   14.161  738.079   19.827  761.887   20.234  461.807   6.2032  469.196   6.2309 -7.388885 8.792253 
1 1 1    5   11    5 o  355.100   4.0634  436.385   9.9867  433.656   14.026  439.191   14.223  353.980   5.7251  356.232   5.7686 -2.251740 8.127288 
1 1 1    5   11    6 o  1073.57   7.6878  3989.69   57.123  4001.39   81.060  3978.15   80.511  1074.98   10.895  1071.86   10.853 3.123657 15.37808 
1 1 1    5   11    7 o  113.042   6.1716   44.365   4.8102   51.793   6.4615   35.132   7.2043  122.069   7.6874  100.161   10.551 21.90762 13.05454 
1 1 1    5   11    8 o  1260.13   8.8546  5497.84   77.225  5734.78  114.056  5297.27  104.939  1286.65   12.808  1236.65   12.261 49.99976 17.73043 
1 1 1    5   11    9 o  520.388   4.8344  937.236   17.412  941.575   24.749  932.984   24.501  521.562   6.8561  519.177   6.8186 2.384277 9.669483 
1 1 1    5   11   10 f  724.123   6.6576  1814.87   33.366  1780.98   56.221  1833.30   41.457  717.214   11.326  727.758   8.2306 -10.54346 14.00069 
1 1 1    5   11   11 o  288.597   4.5475  288.246   9.0832  301.292   13.137  276.296   12.573  295.043   6.4331  282.540   6.4297 12.50397 9.095358 
1 1 1    5   11   12 o  287.120   4.7557  285.312   9.4504  293.207   13.616  277.972   13.127  291.049   6.7592  283.387   6.6931 7.661652 9.512296 
1 1 1    5   11   13 o  988.171   7.3253  3380.36   50.100  3508.72   73.456  3268.72   68.506  1006.57   10.544  971.558   10.188 35.01062 14.66185 
1 1 1    5   11   14 o  708.691   5.8825  1738.57   28.853  1772.35   41.539  1707.08   40.108  715.430   8.3890  702.140   8.2534 13.29053 11.76832 
1 1 1    5   11   15 o  327.337   5.8630  370.968   13.283  382.439   24.549  366.220   15.795  332.183   10.678  325.203   7.0175 6.979797 12.77713 
1 1 1    5   11   16 f  334.753   7.0112  388.193   16.244   0.0000   0.0000  388.193   16.244  ?   ?   334.753   7.0112 0.000000 7.011202 
1 1 1    5   11   17 o  326.587   5.0818  369.391   11.487  373.716   16.309  365.134   16.181  328.366   7.1760  324.572   7.2033 3.794098 10.16771 
1 1 1    5   11   18 o  169.775   7.9675  100.008   9.3620  111.194   11.268   75.073   16.823  178.712   9.1405  145.459   17.033 33.25270 19.33084 
1 1 1    5   11   19 o  173.535   6.7177  104.474   8.0683  114.335   11.360   94.437   11.461  181.356   9.0506  164.423   10.121 16.93277 13.57713 
1 1 1    5   11   20 o  161.238   7.4129   90.328   8.2724   83.685   11.657   97.067   11.741  154.449   10.977  166.536   10.236 -12.08704 15.00879 
1 1 1    5   11   21 o  101.717   10.809   36.599   7.4927   29.278   10.939   43.070   10.284   89.032   18.362  109.737   13.849 -20.70509 22.99897 
1 1 1    5   13    0 o  1974.33   13.290 13492.90  181.598 13133.39  249.072 13900.89  265.336  1947.60   18.478  2003.66   19.133 -56.06189 26.59919 
1 1 1    5   13    1 o  2010.77   13.520 13995.75  188.150 13678.05  367.060 14108.97  219.128  1986.98   26.691  2018.78   15.683 -31.80176 30.95760 
1 1 1    5   13    2 o  825.153   6.2288  2356.37   35.573  2281.42   48.877  2440.79   51.871  811.898   8.6982  839.774   8.9245 -27.87695 12.46214 
1 1 1    5   13    3 o  2140.30   16.584 15860.75  245.660 15730.54  298.053 16136.58  433.818  2131.23   20.206  2157.67   29.050 -26.43994 35.38636 
1 1 1    5   13    4 o  1068.02   7.6413  3947.88   56.483  3835.00   77.596  4075.09   82.377  1052.57   10.652  1085.01   10.970 -32.43884 15.29024 
1 1 1    5   13    5 o  592.284   5.0109  1214.08   20.541  1243.61   29.621  1186.73   28.509  599.416   7.1399  585.549   7.0348 13.86688 10.02329 
1 1 1    5   13    6 o  649.189   5.3109  1458.70   23.863  1461.85   33.842  1455.58   33.652  649.834   7.5246  648.439   7.4984 1.395569 10.62286 
1 1 1    5   13    7 o  384.969   4.2635  512.930   11.360  511.952   16.129  513.894   16.002  384.575   6.0595  385.305   6.0007 -0.7299194 8.527995 
1 1 1    5   13    8 o  796.306   6.1393  2194.83   33.836  2292.47   49.779  2110.98   46.131  813.731   8.8388  780.868   8.5357 32.86304 12.28745 
1 1 1    5   13    9 o  896.646   7.7929  2782.95   48.361  2865.37   86.973  2746.07   58.186  909.563   13.816  890.628   9.4394 18.93481 16.73252 
1 1 1    5   13   10 o  609.467   5.2739  1285.56   22.246  1325.58   32.288  1249.40   30.694  618.848   7.5385  600.803   7.3815 18.04456 10.55059 
1 1 1    5   13   11 o  295.082   4.5497  301.347   9.2918  293.074   13.275  309.294   13.010  290.990   6.5913  298.936   6.2883 -7.946320 9.109800 
1 1 1    5   13   12 o  1110.03   9.2663  4265.84   71.190  4291.50   87.503  4215.61  122.432  1113.24   11.357  1102.99   16.038 10.24927 19.65173 
1 1 1    5   13   13 o  182.650   6.8840  115.485   8.7024  121.930   11.134  105.366   13.952  187.660   8.5722  174.022   11.651 13.63803 14.46472 
1 1 1    5   13   14 o  160.810   6.9248   89.530   7.7072   87.300   11.036   91.653   10.768  158.433   10.117  162.387   9.6239 -3.954193 13.96348 
1 1 1    5   13   15 o   91.705   16.974   30.149   10.377   30.149   10.377   0.0000   0.0000   91.705   16.974  ?   ?  0.000000 16.97384 
1 1 1    5   13   16 o  184.801   9.9741  118.790   12.710   96.585   18.395  139.073   17.581  165.795   16.240  199.699   12.788 -33.90445 20.66988 
1 1 1    5   13   17 o   72.664   13.904   18.992   6.7376   19.409   9.5890   18.585   9.4689   73.113   18.834   71.598   18.850 1.514183 26.64641 
1 1 1    5   13   18 o  207.862   5.9802  149.749   8.6034  155.041   12.208  144.525   12.127  211.349   8.3455  204.038   8.5874 7.311295 11.97453 
1 1 1    5   13   19 o  109.594   11.078   42.274   8.2874   44.258   10.246   38.517   14.095  111.717   13.526  102.541   20.576 9.176338 24.62372 
1 1 1    5   13   20 o  250.052   5.7165  216.906   9.8932  223.474   14.062  210.469   13.921  253.510   8.0146  245.999   8.1764 7.511230 11.44940 
1 1 1    5   13   21 o   94.719   13.003   32.122   8.2991   34.054   13.531   30.958   10.508   95.409   21.055   91.885   17.154 3.524109 27.15814 
1 1 1    5   15    0 f  2873.69   19.085 28595.59  379.582 28169.70  527.659 29052.35  546.453  2851.35   26.738  2895.60   27.267 -44.25488 38.18903 
1 1 1    5   15    1 o  1506.53   11.937  7856.15  124.467  7736.59  149.869  8121.95  223.458  1494.93   14.485  1531.39   21.083 -36.46130 25.57938 
1 1 1    5   15    2 f  1432.16   11.409  7099.68  113.088  7170.73  198.430  7065.50  137.626  1438.94   19.924  1428.62   13.919 10.32031 24.30473 
1 1 1    5   15    3 o  463.535   4.4352  743.585   14.229  714.146   28.537  753.326   16.415  454.235   9.0771  466.558   5.0835 -12.32315 10.40370 
1 1 1    5   15    4 o  757.853   5.8674  1987.75   30.776  1925.11   42.355  2057.82   44.795  745.780   8.2056  771.052   8.3940 -25.27222 11.73845 
1 1 1    5   15    5 o  1371.31   9.5090  6510.41   90.250  6387.81  125.101  6643.47  130.326  1358.06   13.310  1384.94   13.596 -26.88391 19.02643 
1 1 1    5   15    6 o  587.993   5.7233  1196.72   23.291  1182.73   28.579  1224.39   40.191  584.510   7.0646  594.619   9.7660 -10.10852 12.05333 
1 1 1    5   15    7 o  687.873   5.5436  1637.78   26.392  1680.72   38.158  1598.41   36.543  696.753   7.9128  679.482   7.7705 17.27069 11.09021 
1 1 1    5   15    8 o  711.499   5.6819  1752.14   27.980  1805.06   40.652  1704.51   38.569  722.101   8.1340  701.705   7.9416 20.39514 11.36799 
1 1 1    5   15    9 o  615.321   5.2476  1310.39   22.348  1373.04   32.926  1256.87   30.431  629.819   7.5535  602.593   7.2965 27.22589 10.50207 
1 1 1    5   15   10 o  1018.20   8.6203  3588.69   60.748  3689.27  109.252  3543.68   73.089  1032.07   15.295  1011.73   10.438 20.33667 18.51690 
1 1 1    5   15   11 o  533.762   5.6735  986.053   20.959  1011.22   36.098  973.254   25.743  540.463   9.6502  530.268   7.0143 10.19482 11.93006 
1 1 1    5   15   12 o  724.001   5.8860  1814.29   29.494  1847.30   42.417  1783.39   41.039  730.487   8.3899  717.743   8.2613 12.74371 11.77449 
1 1 1    5   15   13 o  598.881   6.2602  1241.51   25.948  1269.19   31.992  1188.29   44.360  605.479   7.6342  585.735   10.942 19.74402 13.34236 
1 1 1    5   15   14 o  397.772   4.8579  547.668   13.374  559.501   19.244  536.615   18.599  401.998   6.9167  393.693   6.8259 8.305267 9.717693 
1 1 1    5   15   15 o  244.860   7.6230  207.672   12.919   0.0000   0.0000  207.672   12.919  ?   ?   244.860   7.6230 0.000000 7.623009 
1 1 1    5   15   16 o  393.366   4.9604  535.790   13.505  519.609   19.034  552.194   19.164  387.262   7.1013  399.231   6.9357 -11.96896 9.926381 
1 1 1    5   15   17 o  263.802   5.3153  241.052   9.7048  259.081   14.117  224.895   13.364  273.365   7.4612  254.685   7.5813 18.68065 10.63698 
1 1 1    5   15   18 o  157.324   7.9595   86.113   8.6386   86.029   11.057   86.244   13.840  156.973   10.233  156.771   12.869 0.2024384 16.44178 
1 1 1    5   15   19 o  118.609   9.3239   49.232   7.5923   45.535   10.318   53.598   11.213  113.341   13.413  123.099   13.376 -9.758255 18.94237 
1 1 1    5   15   21 o   59.313   16.681   12.875   7.1344   21.532   10.172   4.4941   10.009   76.005   19.301   48.666   19.516 27.33944 27.44816 
1 1 1    5   17    0 o  718.387   5.6655  1786.05   28.169  1807.94   40.196  1764.92   39.488  722.753   8.0356  714.102   7.9897 8.651001 11.33159 
1 1 1    5   17    1 o  2370.57   18.290 19460.56  300.081 18658.54  495.254 19925.82  377.209  2319.72   30.847  2398.29   22.725 -78.56738 38.31414 
1 1 1    5   17    2 o  1899.35   14.813 12490.39  194.721 12299.01  234.358 12917.07  349.927  1884.52   17.968  1930.48   26.190 -45.96411 31.76111 
1 1 1    5   17    3 o  727.588   5.7190  1832.14   28.799  1776.58   56.778  1851.38   33.417  716.372   11.452  731.388   6.6015 -15.01581 13.21809 
1 1 1    5   17    4 o  654.603   5.3403  1483.04   24.195  1407.81   47.432  1509.50   28.130  637.669   10.747  660.404   6.1543 -22.73590 12.38458 
1 1 1    5   17    5 o  469.278   8.5459  762.439   27.757   0.0000   0.0000  762.439   27.757  ?   ?   469.278   8.5459 0.000000 8.545943 
1 1 1    5   17    6 o  1346.48   13.280  6282.35  123.760  6282.35  123.760   0.0000   0.0000  1346.48   13.280  ?   ?  0.000000 13.28024 
1 1 1    5   17    7 o  1426.50   9.8860  7046.09   97.604  7274.37  142.768  6845.77  133.739  1448.96   14.236  1405.68   13.747 43.27515 19.78995 
1 1 1    5   17    8 o  794.368   7.0179  2184.20   38.584  2300.98   69.028  2131.13   46.532  815.133   12.235  784.614   8.5688 30.51904 14.93754 
1 1 1    5   17    9 o  694.149   5.6248  1667.65   27.023  1740.87   39.666  1604.24   36.915  709.176   8.0815  680.785   7.8345 28.39124 11.25566 
1 1 1    5   17   10 o  883.133   6.6629  2699.43   40.726  2738.54   58.381  2662.35   56.840  889.433   9.4838  876.978   9.3645 12.45569 13.32806 
1 1 1    5   17   11 o  1162.94   9.6265  4682.08   77.483  4800.00  138.787  4628.68   93.392  1176.98   17.037  1156.18   11.671 20.80396 20.65146 
1 1 1    5   17   12 o  1529.48   10.563  8100.59  111.820  8429.39  164.921  7820.82  152.128  1559.66   15.278  1502.39   14.630 57.27039 21.15332 
1 1 1    5   17   13 o  465.221   4.9025  749.110   15.785  823.113   23.762  690.652   21.119  487.611   7.0409  446.661   6.8315 40.94989 9.810392 
1 1 1    5   17   14 o  736.418   8.4639  1878.16   43.139  1902.44   60.290  1852.68   61.752  740.896   11.757  731.101   12.204 9.795044 16.94610 
1 1 1    5   17   15 o  581.690   6.2748  1171.72   25.262  1171.27   30.601  1172.68   44.761  581.487   7.6037  581.513   11.121 -0.2563477E-01 13.47234 
1 1 1    5   17   16 o  287.534   5.0655  286.291   10.081  278.319   14.107  294.609   14.410  283.409   7.1919  291.588   7.1405 -8.179260 10.13457 
1 1 1    5   17   17 o   88.868   11.284   27.886   6.7837   29.992   9.4637   25.661   9.7290   91.478   15.501   84.170   17.280 7.308434 23.21342 
1 1 1    5   17   18 f   25.163   12.156 -10.2567   6.4153 -11.7451   8.9212  -8.6629   9.2319   31.172   14.869   34.119   15.916 -2.947069 21.78046 
1 1 1    5   17   19 o   74.099   14.023   19.847   6.9285   17.462   9.7251   22.305   9.8734   69.256   19.475   77.936   18.569 -8.680092 26.90828 
1 1 1    5   17   20 o  177.068   9.7067  109.642   11.850  115.366   15.322  101.122   18.694  181.084   12.299  168.437   16.237 12.64729 20.36861 
1 1 1    5   17   21 o   46.751   16.873   6.6292   6.9927   11.452   9.8089   1.6450   9.9715   58.429   20.075   45.117   18.927 13.31275 27.59034 
1 1 1    5   19    0 o  1276.02   10.303  5636.13   90.993  5453.66  152.168  5737.69  113.526  1254.87   17.521  1287.37   12.741 -32.50244 21.66357 
1 1 1    5   19    1 o  864.065   6.4842  2583.98   38.777  2526.65   53.700  2646.44   56.055  854.380   9.0812  874.394   9.2625 -20.01404 12.97164 
1 1 1    5   19    2 o  1516.13   12.029  7958.19  126.227  7800.57  151.121  8321.95  229.572  1500.88   14.548  1549.63   21.405 -48.74988 25.88079 
1 1 1    5   19    3 o  1687.62   11.496  9861.21  134.272  9497.56  258.186  9996.02  157.203  1654.95   22.541  1698.96   13.369 -44.00500 26.20730 
1 1 1    5   19    4 o  244.619   9.0007  207.171   15.238  207.171   15.238   0.0000   0.0000  244.619   9.0007  ?   ?  0.000000 9.000653 
1 1 1    5   19    5 o  1417.10   9.8080  6954.29   96.196  6858.54  190.377  6987.12  111.474  1405.83   19.566  1420.27   11.340 -14.43640 22.61493 
1 1 1    5   19    6 o  832.212   7.3402  2397.60   42.279  2364.52   50.900  2471.22   75.925  826.378   8.8995  844.556   12.989 -18.17804 15.74543 
1 1 1    5   19    7 o  277.889   6.9237  267.301   13.316  295.463   20.013  244.927   17.838  292.123   9.8986  265.972   9.6904 26.15042 13.85229 
1 1 1    5   19    8 o  774.765   6.0388  2077.56   32.381  2156.15   47.433  2008.98   44.315  789.214   8.6837  761.813   8.4047 27.40179 12.08497 
1 1 1    5   19    9 o   69.401   7.8408   16.885   3.7002   8.4489   5.4727   23.988   5.0219   49.232   14.835   82.767   8.9068 -33.53529 17.30375 
1 1 1    5   19   10 o  537.125   4.9320  998.479   18.335  1005.14   26.151  992.043   25.713  538.888   7.0116  535.367   6.9394 3.520691 9.865009 
1 1 1    5   19   11 f  1466.61   11.708  7448.33  118.839  7611.40  149.252  7165.85  196.431  1482.31   14.548  1437.66   19.741 44.65002 24.52277 
1 1 1    5   19   12 o  865.409   9.3335  2593.15   55.904   0.0000   0.0000  2593.15   55.904  ?   ?   865.409   9.3335 0.000000 9.333510 
1 1 1    5   19   13 f  883.958   6.7551  2705.04   41.327  2889.96   62.179  2558.70   55.313  913.479   9.8348  859.570   9.2976 53.90942 13.53401 
1 1 1    5   19   14 o  369.494   4.8473  472.590   12.396  491.984   18.302  456.151   16.849  376.942   7.0153  362.965   6.7073 13.97726 9.705730 
1 1 1    5   19   15 o  225.043   5.5264  175.358   8.6076  177.193   12.264  173.577   12.084  226.152   7.8352  223.834   7.8004 2.318039 11.05604 
1 1 1    5   19   16 o   65.433   14.563   15.485   6.4255   18.557   9.2690   12.644   8.9153   71.571   18.557   60.534   19.064 11.03687 26.60459 
1 1 1    5   19   17 o  181.427   6.9006  114.108   8.6649  117.580   11.058  108.585   13.947  184.072   8.6800  176.339   11.490 7.733444 14.40012 
1 1 1    5   19   18 o  150.597   8.7235   79.039   9.0536   98.098   17.554   72.132   10.568  166.714   15.387  143.577   10.711 23.13658 18.74839 
1 1 1    5   19   19 o  131.666   9.1181   60.598   8.2580   59.902   13.338   61.031   10.516  129.772   15.135  131.722   11.655 -1.950470 19.10228 
1 1 1    5   19   20 o  211.026   6.1674  154.597   9.0078  160.982   12.784  148.302   12.694  215.019   8.5905  206.332   8.8891 8.686432 12.36179 
1 1 1    5   19   21 o  124.800   10.532   54.943   9.0123   47.629   10.422   76.634   17.947  115.463   13.283  145.103   18.276 -29.63982 22.59290 
1 1 1    5   21    0 o  1080.81   8.9633  4043.71   67.049  3939.51  113.181  4100.05   83.225  1066.49   15.333  1088.23   11.050 -21.74524 18.90014 
1 1 1    5   21    1 o  1587.98   10.870  8730.52  119.464  8499.83  164.077  8990.79  174.281  1566.52   15.133  1611.07   15.630 -44.55737 21.75574 
1 1 1    5   21    2 o  512.753   4.7216  909.930   16.756  891.945   23.317  929.136   24.096  507.634   6.6366  518.109   6.7197 -10.47403 9.444481 
1 1 1    5   21    3 o  651.154   5.3604  1467.53   24.158  1388.57   32.618  1563.46   35.953  633.346   7.4412  672.039   7.7297 -38.69293 10.72938 
1 1 1    5   21    4 o  588.992   5.0667  1200.73   20.654  1185.37   41.823  1205.69   23.753  585.042   10.329  590.190   5.8149 -5.147278 11.85324 
1 1 1    5   21    5 o  217.903   5.2294  164.347   7.8866  125.122   14.483  180.882   9.4031  189.741   11.076  228.596   5.9433 -38.85492 12.57023 
1 1 1    5   21    6 o  406.868   9.5250  573.171   26.822  573.171   26.822   0.0000   0.0000  406.868   9.5250  ?   ?  0.000000 9.525018 
1 1 1    5   21    7 o  1298.17   12.950  5836.52  116.349  5956.10  168.206  5726.83  161.109  1310.86   18.540  1285.43   18.109 25.42944 25.91653 
1 1 1    5   21    8 o  602.109   7.6490  1254.87   31.876  1255.61   45.411  1254.15   44.754  602.216   10.895  601.869   10.744 0.3471680 15.30133 
1 1 1    5   21    9 o  1169.01   9.6667  4730.77   78.212  4763.72   96.282  4666.83  134.108  1172.97   11.860  1160.69   16.694 12.28162 20.47788 
1 1 1    5   21   10 o  1203.29   9.8510  5012.54   82.040  5188.51  104.391  4728.29  132.674  1224.09   12.322  1168.27   16.408 55.82605 20.51974 
1 1 1    5   21   11 o  588.750   5.2084  1199.69   21.223  1263.78   31.328  1145.33   28.853  604.225   7.4914  575.217   7.2475 29.00830 10.42334 
1 1 1    5   21   12 o  566.359   9.7151  1110.73   38.082   0.0000   0.0000  1110.73   38.082  ?   ?   566.359   9.7151 0.000000 9.715130 
1 1 1    5   21   13 o  347.365   5.2373  417.663   12.591  424.341   21.142  413.993   15.674  350.054   8.7262  345.811   6.5489 4.242950 10.91033 
1 1 1    5   21   14 o  322.627   4.8114  360.317   10.744  391.023   16.034  335.295   14.474  336.038   6.8939  311.177   6.7203 24.86105 9.627494 
1 1 1    5   21   15 o  315.306   4.8491  344.211   10.582  333.809   15.131  354.168   14.805  310.422   7.0428  319.764   6.6895 -9.342529 9.713367 
1 1 1    5   21   16 o  538.227   5.8916  1003.50   21.947  998.518   27.258  1012.68   37.008  536.740   7.3375  540.187   9.8986 -3.446838 12.32159 
1 1 1    5   21   17 o  234.210   5.4799  190.050   8.8828  187.872   12.805  192.071   12.333  232.712   7.9504  235.325   7.5719 -2.613556 10.97923 
1 1 1    5   21   18 o  177.333   6.4401  109.059   7.9042  100.406   11.323  117.283   11.038  169.650   9.6839  183.736   8.6803 -14.08591 13.00483 
1 1 1    5   21   19 o  119.259   10.474   49.957   8.5574   90.780   17.567   37.256   9.7985  159.801   16.103  102.115   14.253 57.68649 21.50461 
1 1 1    5   21   20 o  182.438   6.5581  115.615   8.2808  126.083   12.049  106.245   11.400  190.180   9.1539  174.280   9.4866 15.90005 13.18291 
1 1 1    5   21   21 o  136.385   8.6233   65.191   8.0980   72.408   11.379   57.784   11.528  143.065   11.591  127.244   13.285 15.82057 17.63101 
1 1 1    5   23    0 o  833.980   6.3620  2407.45   36.722  2325.20   50.287  2501.44   53.752  819.520   8.8658  849.999   9.1370 -30.47870 12.73130 
1 1 1    5   23    1 o  779.010   6.0472  2100.51   32.604  2054.64   45.153  2150.49   47.129  770.377   8.4685  788.135   8.6399 -17.75836 12.09809 
1 1 1    5   23    2 o  198.451   6.4081  136.324   8.8016  136.324   8.8016   0.0000   0.0000  198.451   6.4081  ?   ?  0.000000 6.408128 
1 1 1    5   23    3 o  823.465   8.8735  2347.93   50.573  2347.93   50.573   0.0000   0.0000  823.465   8.8735  ?   ?  0.000000 8.873495 
1 1 1    5   23    4 o  848.107   13.028  2492.20   76.471  2492.20   76.471   0.0000   0.0000  848.107   13.028  ?   ?  0.000000 13.02780 
1 1 1    5   23    5 o  1198.60   8.4820  4973.78   70.364  5214.63  148.801  4904.42   79.856  1226.39   17.531  1190.13   9.6947 36.25720 20.03285 
1 1 1    5   23    7 o  402.630   6.8166  561.104   18.996  564.878   27.297  557.561   26.450  403.940   9.7640  401.319   9.5227 2.620819 13.63884 
1 1 1    5   23    8 o  1511.87   14.837  7916.37  155.248  7965.85  221.155  7868.29  217.987  1515.96   21.078  1506.67   20.904 9.291626 29.68631 
1 1 1    5   23    9 o  1029.03   10.781  3665.98   76.786  3677.07  109.164  3655.12  108.027  1030.36   15.308  1027.29   15.194 3.073364 21.56804 
1 1 1    5   23   10 o  632.793   8.0125  1386.10   35.092  1402.93   50.380  1370.24   48.909  636.528   11.436  629.076   11.233 7.451599 16.02994 
1 1 1    5   23   11 o  348.140   4.4290  419.473   10.672  449.547   15.769  394.062   14.495  360.383   6.3222  337.412   6.2071 22.97104 8.859922 
1 1 1    5   23   12 o  965.676   8.2563  3228.71   55.181  3707.80  107.443  3057.06   64.311  1034.24   15.010  939.554   9.8898 94.69153 17.97515 
1 1 1    5   23   13 o  913.740   6.9315  2890.70   43.836  3105.33   66.445  2725.28   58.331  946.795   10.140  887.023   9.5014 59.77185 13.89574 
1 1 1    5   23   14 o  321.724   4.7558  358.314   10.590  359.848   15.452  356.955   14.541  322.349   6.9262  321.063   6.5439 1.285553 9.528610 
1 1 1    5   23   15 o  282.106   4.8300  275.552   9.4306  277.494   13.677  273.792   13.021  283.016   6.9824  281.135   6.6918 1.881775 9.671342 
1 1 1    5   23   16 o  197.784   5.6842  135.510   7.7811  143.119   11.360  128.785   10.680  203.156   8.0792  192.718   8.0069 10.43832 11.37469 
1 1 1    5   23   17 o  245.711   5.2234  209.167   8.8829  208.783   12.683  209.536   12.445  245.339   7.4693  245.792   7.3155 -0.4535675 10.45505 
1 1 1    5   23   18 o  133.614   8.3905   62.262   7.7198   73.854   13.010   55.963   9.5904  144.826   13.122  126.265   11.087 18.56021 17.17872 
1 1 1    5   23   19 o  100.281   10.034   35.393   6.8707   33.188   10.168   37.245   9.3204   95.868   15.881  102.229   13.503 -6.361588 20.84567 
1 1 1    5   23   20 o   37.213   16.249  -1.3649   7.9096  -2.0449   16.790  -1.1710   8.9669   54.109   23.649   39.952   17.376 14.15662 29.34589 
1 1 1    5   25    0 o  1544.62   12.267  8265.40  131.140  8068.29  221.062  8372.44  162.899  1524.51   20.951  1554.15   15.144 -29.63879 25.85142 
1 1 1    5   25    1 o  704.629   6.5762  1718.72   32.071  1675.12   54.533  1741.77   39.653  695.419   11.330  709.281   8.0776 -13.86182 13.91480 
1 1 1    5   25    2 o  654.534   6.2339  1482.98   28.240  1462.47   34.338  1525.85   49.642  649.945   7.6334  663.737   10.806 -13.79218 13.23037 
1 1 1    5   25    3 o  1108.76   7.9451  4256.15   60.970  4180.88   84.647  4337.31   87.893  1098.68   11.132  1119.03   11.348 -20.34570 15.89661 
1 1 1    5   25    4 o  738.336   5.8427  1886.89   29.857  1866.95   41.850  1907.55   42.608  734.349   8.2341  742.290   8.2936 -7.940247 11.68690 
1 1 1    5   25    6 o  460.323   4.5477  733.351   14.489  723.415   31.248  736.072   16.353  457.117   9.8769  461.171   5.1233 -4.053772 11.12660 
1 1 1    5   25    7 o  728.968   8.4850  1839.43   42.809  1825.37   60.370  1853.66   60.714  726.076   12.013  731.682   11.989 -5.606201 16.97239 
1 1 1    5   25    8 f  732.376   8.5284  1856.65   43.229  1876.10   61.835  1838.05   60.459  736.104   12.137  728.606   11.989 7.497986 17.06031 
1 1 1    5   25    9 o  511.104   10.545  904.390   37.300  904.390   37.300   0.0000   0.0000  511.104   10.545  ?   ?  0.000000 10.54454 
1 1 1    5   25   10 o  1304.84   13.115  5897.01  118.442  6136.58  174.577  5692.68  161.224  1330.46   18.959  1281.53   18.177 48.93201 26.26474 
1 1 1    5   25   11 f  543.381   7.6771  1022.16   28.872  1062.44   42.238  986.829   39.556  553.875   11.018  533.814   10.707 20.06079 15.36338 
1 1 1    5   25   12 o  653.797   6.5189  1479.73   29.498  1521.28   36.380  1400.00   50.400  662.857   7.9298  635.709   11.455 27.14795 13.93200 
1 1 1    5   25   13 o  547.152   9.4666  1037.07   35.849   0.0000   0.0000  1037.07   35.849  ?   ?   547.152   9.4666 0.000000 9.466551 
1 1 1    5   25   14 o  119.787   7.2647   49.884   5.9945   50.789   9.3318   49.249   7.8216  120.482   11.324  118.814   9.5934 1.668083 14.84117 
1 1 1    5   25   15 o  239.401   5.4672  198.484   9.0588  209.630   12.104  184.293   13.658  245.967   7.1102  230.558   8.5593 15.40903 11.12725 
1 1 1    5   25   16 o  416.552   4.7825  600.931   13.788  600.662   19.762  601.187   19.246  416.288   6.8590  416.487   6.6769 -0.1994324 9.572139 
1 1 1    5   25   17 o  226.339   6.6157  177.632   10.364  183.112   12.199  163.415   19.648  229.727   7.6723  216.067   13.202 13.65915 15.26924 
1 1 1    5   25   18 o  160.919   6.6322   89.842   7.3865   92.642   10.883   87.450   10.058  162.886   9.6978  158.309   9.2193 4.577072 13.38073 
1 1 1    5   25   19 f   80.714   12.229   23.296   6.6174   25.319   9.7641   21.577   8.9995   83.087   17.531   76.628   17.370 6.459335 24.67851 
1 1 1    5   25   20 o  112.784   9.5225   44.719   7.3637   40.515   10.620   48.612   10.219  106.091   14.873  116.910   12.841 -10.81861 19.64888 
1 1 1    5   27    0 o  299.368   5.1358  310.197   10.641  307.246   12.930  316.390   18.733  297.928   6.2706  302.287   8.9538 -4.358917 10.93120 
1 1 1    5   27    1 o  1635.50   12.925  9266.97  146.309  9121.61  176.158  9590.24  262.703  1622.19   15.690  1661.80   22.841 -39.61133 27.71045 
1 1 1    5   27    2 o  808.828   6.2487  2264.47   34.980  2204.23   48.213  2331.43   50.830  797.903   8.7305  820.593   8.9498 -22.69049 12.50281 
1 1 1    5   27    3 o  846.160   6.4447  2478.30   37.743  2399.03   51.829  2567.80   55.071  832.425   8.9961  861.197   9.2394 -28.77246 12.89553 
1 1 1    5   27    4 f  214.751   5.4852  159.619   8.1528  163.843   9.6745  149.268   15.144  217.569   6.4248  207.359   10.587 10.20958 12.38402 
1 1 1    5   27    5 o  1181.40   8.3810  4831.42   68.528  4768.61   95.661  4897.63   98.217  1173.52   11.778  1189.28   11.932 -15.76062 16.76601 
1 1 1    5   27    6 o  965.224   7.1199  3224.70   47.564  3324.88   99.506  3195.03   54.151  979.789   14.674  960.745   8.1437 19.04382 16.78211 
1 1 1    5   27    7 o  1296.47   10.562  5819.01   94.769  5775.61  163.632  5840.91  116.251  1291.11   18.312  1298.78   12.933 -7.670044 22.41801 
1 1 1    5   27    8 o  666.507   11.494  1538.05   53.022  1538.05   53.022   0.0000   0.0000  666.507   11.494  ?   ?  0.000000 11.49403 
1 1 1    5   27    9 o  464.267   7.3533  746.081   23.628  746.829   33.789  745.366   33.054  464.442   10.511  463.991   10.293 0.4505920 14.71163 
1 1 1    5   27   10 o  653.258   8.2006  1477.33   37.077  1476.10   52.798  1478.54   52.080  652.859   11.685  653.405   11.516 -0.5462036 16.40599 
1 1 1    5   27   11 o  819.412   13.085  2326.34   74.210   0.0000   0.0000  2326.34   74.210  ?   ?   819.412   13.085 0.000000 13.08532 
1 1 1    5   27   12 o  490.352   7.6137  832.520   25.839  829.268   37.017  835.610   36.085  489.255   10.932  491.138   10.616 -1.882538 15.23796 
1 1 1    5   27   13 o   84.955   9.0384   25.286   5.2328   24.739   5.5361   29.873   16.030   83.939   9.7085   91.066   24.775 -7.126671 26.60913 
1 1 1    5   27   14 o  129.776   8.1407   58.589   7.2749   58.589   7.2749   0.0000   0.0000  129.776   8.1407  ?   ?  0.000000 8.140666 
1 1 1    5   27   15 o  244.045   5.2733  206.264   8.9070  214.334   10.006  175.463   19.548  248.753   5.8119  224.327   12.642 24.42686 13.91378 
1 1 1    5   27   16 o  392.491   5.7023  533.737   15.490  547.006   18.573  503.415   28.076  397.243   6.7552  380.609   10.658 16.63397 12.61866 
1 1 1    5   27   17 o  100.260   8.6348   35.167   5.9333   25.423   9.2167   42.062   7.7536   83.754   16.487  109.484   10.355 -25.73067 19.46921 
1 1 1    5   27   18 o  164.076   8.0143   93.535   9.1009   95.459   10.577   88.049   17.861  165.386   9.2778  157.318   16.657 8.067932 19.06665 
1 1 1    5   27   19 o  173.805   6.2693  104.867   7.5415  112.492   10.852   97.744   10.488  179.750   8.7227  167.267   9.0938 12.48247 12.60092 
1 1 1    5   27   20 o  123.010   9.5433   53.174   8.0613   40.627   10.354   72.488   12.846  106.281   14.450  142.867   13.139 -36.58600 19.53026 
1 1 1    5   29    0 o  854.317   6.5261  2526.30   38.588  2437.61   52.737  2628.50   56.611  839.096   9.0808  871.318   9.3875 -32.22192 13.06086 
1 1 1    5   29    1 o  1099.15   7.9258  4182.23   60.295  4095.76   83.432  4276.75   87.234  1087.56   11.084  1111.31   11.342 -23.75244 15.85850 
1 1 1    5   29    2 o  1059.49   8.8894  3886.12   65.185  3721.95  108.613  3978.54   81.493  1036.48   15.141  1071.90   10.985 -35.42676 18.70570 
1 1 1    5   29    3 o  814.817   6.2966  2297.99   35.509  2267.06   49.572  2330.59   50.890  809.241   8.8508  820.498   8.9614 -11.25684 12.59533 
1 1 1    5   29    4 o  997.979   7.3202  3447.38   50.562  3367.76   69.925  3534.63   73.197  986.278   10.244  1010.41   10.467 -24.12994 14.64549 
1 1 1    5   29    5 o  984.335   8.3941  3353.91   57.187  3272.23   68.051  3550.24  105.502  972.214   10.113  1012.43   15.056 -40.21509 18.13765 
1 1 1    5   29    6 o  759.959   6.0034  1998.87   31.577  1919.02   62.915  2025.75   36.508  744.476   12.210  765.037   6.8949 -20.56158 14.02257 
1 1 1    5   29    7 o  859.239   6.5411  2555.30   38.899  2442.44   76.726  2594.35   45.129  839.850   13.200  865.757   7.5315 -25.90771 15.19729 
1 1 1    5   29    8 o  1069.62   11.142  3961.18   82.482  3991.71  117.689  3931.71  115.633  1073.46   15.841  1065.37   15.682 8.087402 22.29027 
1 1 1    5   29    9 o  819.430   9.2937  2324.65   52.708  2313.66   74.607  2335.61   74.475  817.311   13.189  821.184   13.104 -3.872742 18.59183 
1 1 1    5   29   10 o  576.067   11.003  1149.27   43.870   0.0000   0.0000  1149.27   43.870  ?   ?   576.067   11.003 0.000000 11.00304 
1 1 1    5   29   11 o  136.870   13.216   65.520   12.364   60.049   17.922   70.488   17.079  129.928   20.619  141.431   17.844 -11.50230 27.26841 
1 1 1    5   29   12 o  216.985   9.5413  163.090   14.329  163.610   20.960  162.634   19.633  216.757   14.047  216.187   13.185 0.5701141 19.26533 
1 1 1    5   29   13 o  458.824   7.5273  729.168   23.903  780.000   35.241  685.854   32.531  474.329   10.735  444.795   10.567 29.53357 15.06314 
1 1 1    5   29   14 o  167.434   5.2826   97.075   6.1216  103.507   6.4861   44.629   18.522  172.888   5.4206  110.661   24.797 62.22756 25.38280 
1 1 1    5   29   15 f   91.550   9.7103   29.413   6.0588   24.995   6.5429   56.000   16.050   84.038   11.555  125.121   19.143 -41.08334 22.36009 
1 1 1    5   29   16 o  353.058   5.3523  431.856   13.079  436.342   15.172  418.878   25.803  354.819   6.1782  347.109   10.741 7.710327 12.39078 
1 1 1    5   29   17 f  209.707   5.8292  152.454   8.4606  152.470   9.4361  152.390   19.107  209.672   6.5024  208.476   13.312 1.195984 14.81493 
1 1 1    5   29   18 o  203.141   6.2126  143.173   8.7347  150.035   9.6606  112.439   20.446  207.907   6.7137  177.835   16.811 30.07214 18.10194 
1 1 1    5   29   19 o  100.545   13.422   36.118   9.1067   36.118   9.1067   0.0000   0.0000  100.545   13.422  ?   ?  0.000000 13.42167 
1 1 1    5   29   20 o   89.175   12.335   28.495   7.4089   26.399   8.0779   39.600   18.594   85.311   14.179  101.197   26.305 -15.88613 29.88255 
1 1 1    5   31    0 o  673.841   6.4622  1571.60   30.138  1549.83   36.406  1619.02   53.725  669.126   7.8612  683.796   11.352 -14.67065 13.80817 
1 1 1    5   31    1 o  551.272   5.0873  1051.79   19.410  985.942   26.144  1132.67   28.974  533.708   7.0776  572.040   7.3183 -38.33185 10.18088 
1 1 1    5   31    2 o  728.822   5.8891  1838.46   29.706  1797.54   41.229  1882.65   42.840  720.613   8.2665  737.472   8.3932 -16.85919 11.78048 
1 1 1    5   31    3 o  240.821   6.7900  200.732   11.317   0.0000   0.0000  200.732   11.317  ?   ?   240.821   6.7900 0.000000 6.790041 
1 1 1    5   31    4 o  1279.73   8.9993  5669.11   79.708  5536.15  109.925  5816.53  115.748  1264.45   12.561  1296.05   12.904 -31.60229 18.00778 
1 1 1    5   31    5 o  550.163   5.0342  1047.54   19.169  1069.76   27.449  1026.38   26.782  555.943   7.1337  544.554   7.1059 11.38873 10.06897 
1 1 1    5   31    6 o  926.282   6.9128  2969.66   44.318  2879.17   60.855  3071.85   64.668  911.986   9.6412  941.999   9.9189 -30.01324 13.83246 
1 1 1    5   31    7 o  371.344   4.5258  477.237   11.632  412.146   25.196  494.867   13.113  345.031   10.551  378.137   5.0104 -33.10602 11.68018 
1 1 1    5   31    8 o  1179.22   8.5510  4813.77   69.789  4683.90  135.484  4860.67   81.422  1162.64   16.837  1184.88   9.9287 -22.24292 19.54647 
1 1 1    5   31    9 o  786.384   9.0607  2141.01   49.314  2133.17   69.916  2148.78   69.567  784.755   12.873  787.628   12.762 -2.872437 18.12623 
1 1 1    5   31   10 o  1088.91   11.368  4107.03   85.676  4262.44  125.824  3972.68  116.987  1108.78   16.396  1070.51   15.790 38.27698 22.76269 
1 1 1    5   31   11 o  631.842   8.2016  1382.38   35.866  1414.63   51.807  1352.68   49.703  638.971   11.715  624.837   11.493 14.13348 16.41121 
1 1 1    5   31   12 o  875.996   9.7506  2658.72   59.117  2712.68   85.273  2608.78   82.030  884.290   13.933  867.229   13.667 17.06049 19.51664 
1 1 1    5   31   13 o  300.836   11.467  313.951   23.876  313.951   23.876   0.0000   0.0000  300.836   11.467  ?   ?  0.000000 11.46697 
1 1 1    5   31   14 o  278.967   8.1884  269.771   15.810  271.902   22.540  267.707   22.181  279.823   11.639  277.664   11.542 2.159149 16.39145 
1 1 1    5   31   15 o  222.912   9.3133  172.458   14.369  163.854   21.288  179.658   19.474  216.389   14.295  226.921   12.447 -10.53201 18.95409 
1 1 1    5   31   16 o  225.199   5.0237  175.696   7.8302  176.444   8.5497  171.805   19.501  225.655   5.4743  221.665   12.765 3.990021 13.88936 
1 1 1    5   31   17 o  220.046   5.4951  167.846   8.3689  171.114   9.1635  151.415   20.547  222.144   5.9600  207.487   14.397 14.65753 15.58189 
1 1 1    5   31   18 o   56.097   19.634   10.044   9.4043   4.6075   11.000   24.815   18.132   50.845   20.434   83.468   27.274 -32.62265 34.07984 
1 1 1    5   31   19 o   57.064   16.621   11.793   6.9642   12.512   7.5988   8.0244   17.407   58.826   17.426   63.690   25.668 -4.863861 31.02400 
1 1 1    5   33    0 o  653.122   6.3902  1476.40   28.886  1454.70   34.921  1523.42   51.405  648.281   7.7829  663.332   11.197 -15.05060 13.63610 
1 1 1    5   33    1 o  494.008   4.8996  844.607   16.752  822.299   23.222  868.814   24.190  487.418   6.8838  501.014   6.9761 -13.59515 9.800615 
1 1 1    5   33    2 o  659.178   6.3966  1503.90   29.183  1480.49   49.237  1516.58   36.233  653.933   10.879  661.924   7.9089 -7.990967 13.44991 
1 1 1    5   33    3 o  529.643   5.0093  970.851   18.363  928.020   25.244  1018.98   26.759  517.805   7.0440  542.586   7.1257 -24.78088 10.01969 
1 1 1    5   33    4 o  604.957   5.3048  1266.60   22.211  1283.11   31.602  1250.48   31.224  608.857   7.4993  601.066   7.5057 7.791565 10.61009 
1 1 1    5   33    5 f  867.642   6.6115  2605.53   39.703  2514.99   54.321  2709.37   58.173  852.371   9.2079  884.689   9.5007 -32.31793 13.23059 
1 1 1    5   33    7 o  621.084   6.3073  1335.13   27.112  1230.73   46.298  1389.62   33.448  596.193   11.220  633.606   7.6273 -37.41290 13.56708 
1 1 1    5   33    8 o  1149.01   8.2649  4570.37   65.726  4426.83  128.800  4620.91   76.426  1130.21   16.466  1155.27   9.5583 -25.06372 19.03892 
1 1 1    5   33    9 o  423.957   10.445  622.439   30.648   0.0000   0.0000  622.439   30.648  ?   ?   423.957   10.445 0.000000 10.44505 
1 1 1    5   33   10 o  381.705   7.7727  504.444   20.534  488.780   29.325  519.512   28.763  375.632   11.280  387.280   10.731 -11.64743 15.56860 
1 1 1    5   33   11 o  257.371   8.6997  229.411   15.497  200.976   21.437  260.537   22.428  240.431   12.930  274.183   11.819 -33.75215 17.51760 
1 1 1    5   33   12 f  457.740   10.696  726.341   33.887  726.341   33.887   0.0000   0.0000  457.740   10.696  ?   ?  0.000000 10.69643 
1 1 1    5   33   13 o  379.427   7.5266  498.807   19.765  483.854   28.000  513.659   27.905  373.453   10.833  384.814   10.477 -11.36157 15.07072 
1 1 1    5   33   14 o  139.927   12.786   68.634   12.246   66.146   17.993   70.780   16.714  136.146   19.665  141.357   17.455 -5.211823 26.29455 
1 1 1    5   33   15 o  358.329   7.7516  445.332   19.224  452.878   28.314  438.878   26.185  360.893   11.336  355.371   10.646 5.521973 15.55113 
1 1 1    5   33   16 o  183.563   10.498  117.597   13.281   98.829   19.950  132.537   17.799  166.893   17.533  194.436   13.307 -27.54250 22.01089 
1 1 1    5   33   17 o   74.474   10.192   19.667   5.1153   21.141   5.3485   3.8727   17.514   77.249   10.257   60.650   25.235 16.59860 27.24002 
1 1 1    5   33   18 o  133.760   7.9969   62.440   7.3693   62.440   7.3693   0.0000   0.0000  133.760   7.9969  ?   ?  0.000000 7.996900 
1 1 1    5   33   19 o   96.989   14.038   33.835   9.1495   27.681   10.496   53.317   18.674   86.527   18.107  119.087   23.491 -32.55958 29.65998 
1 1 1    5   35    0 f  883.625   6.7382  2702.41   41.209  2589.08   55.970  2836.57   60.897  864.835   9.3507  905.215   9.7200 -40.37982 13.48756 
1 1 1    5   35    1 o  885.677   6.7518  2714.98   41.388  2597.64   56.117  2854.94   61.286  866.263   9.3599  908.141   9.7506 -41.87805 13.51596 
1 1 1    5   35    2 o  472.406   4.9058  772.350   16.040  762.114   22.389  783.143   22.990  469.246   6.8939  475.675   6.9832 -6.429077 9.812830 
1 1 1    5   35    3 o  225.076   5.8310  175.330   9.0835  126.683   13.995  210.745   11.941  190.997   10.629  246.756   6.9916 -55.75877 12.72208 
1 1 1    5   35    4 o  987.643   8.4882  3376.44   58.022  3239.51   97.512  3451.49   72.193  967.165   14.567  998.493   10.447 -31.32727 17.92596 
1 1 1    5   35    5 o  236.125   5.4369  192.967   8.8852  193.973   11.214  191.268   14.564  236.733   6.8441  235.061   8.9522 1.671509 11.26872 
1 1 1    5   35    6 o  276.671   4.6866  264.920   8.9742  276.979   12.591  252.468   12.794  282.885   6.4309  270.075   6.8448 12.81012 9.391837 
1 1 1    5   35    7 o  369.249   5.4866  471.903   14.022  484.829   26.737  467.000   16.468  374.198   10.324  367.314   6.4777 6.883667 12.18768 
1 1 1    5   35    8 o  607.627   6.0440  1277.96   25.418   0.0000   0.0000  1277.96   25.418  ?   ?   607.627   6.0440 0.000000 6.043951 
1 1 1    5   35    9 o  942.300   10.238  3075.12   66.770  3028.78   93.237  3123.90   95.663  934.818   14.411  949.369   14.559 -14.55084 20.48491 
1 1 1    5   35   10 f  1048.82   11.076  3811.05   80.398  3794.63  113.135  3827.80  114.274  1045.96   15.628  1050.51   15.717 -4.547974 22.16439 
1 1 1    5   35   11 o  320.569   7.8622  355.907   17.444  351.415   25.109  360.098   24.252  318.399   11.394  322.333   10.871 -3.933838 15.74810 
1 1 1    5   35   12 o  198.922   9.5714  137.164   13.178  142.342   19.834  133.073   17.631  201.935   14.284  195.354   13.116 6.581329 19.39232 
1 1 1    5   35   13 o  172.606   10.637  103.777   12.645  113.805   18.311   94.634   17.484  180.261   14.807  164.152   15.576 16.10844 21.49094 
1 1 1    5   35   14 o  207.469   12.998  150.342   18.570   0.0000   0.0000  150.342   18.570  ?   ?   207.469   12.998 0.000000 12.99828 
1 1 1    5   35   15 o   56.531   20.824   8.9821   10.730   13.283   15.460   4.9854   14.904   68.006   25.004   58.084   23.628 9.921982 34.40163 
1 1 1    5   35   16 o  191.038   10.390  127.378   13.686  144.537   20.078  112.488   18.704  202.776   14.400  178.574   15.281 24.20203 20.99641 
1 1 1    5   35   17 o  124.571   20.592   56.537   17.134   56.537   17.134   0.0000   0.0000  124.571   20.592  ?   ?  0.000000 20.59212 
1 1 1    5   35   18 o  247.485   9.2057  213.454   15.768  207.512   21.980  219.756   22.634  242.798   13.128  249.875   13.134 -7.077698 18.57020 
1 1 1    5   35   19 o  185.624   5.6532  119.655   7.2628  120.916   7.7591  110.732   20.639  186.557   6.0093  175.293   17.234 11.26382 18.25205 
1 1 1    5   37    0 f  369.969   4.8341  473.710   12.378  457.488   17.167  491.277   17.865  363.564   6.8225  376.751   6.8511 -13.18680 9.668716 
1 1 1    5   37    1 o  1127.17   9.4054  4398.08   73.375  4327.12   88.370  4555.61  131.661  1117.96   11.421  1146.80   16.588 -28.84375 20.13944 
1 1 1    5   37    2 o  947.750   7.1138  3108.95   46.663  2981.77   63.294  3260.39   69.065  928.084   9.8537  970.462   10.283 -42.37756 14.24175 
1 1 1    5   37    3 o  781.780   7.1452  2115.43   38.661  2087.86   46.994  2173.17   68.006  776.632   8.7428  792.224   12.403 -15.59265 15.17457 
1 1 1    5   37    4 o  923.153   6.9653  2949.71   44.503  2857.69   61.082  3053.82   64.972  908.556   9.7137  939.206   9.9951 -30.65027 13.93764 
1 1 1    5   37    5 o  750.086   6.0435  1947.33   31.374  1882.03   43.020  2021.53   45.856  737.343   8.4299  764.176   8.6701 -26.83276 12.09270 
1 1 1    5   37    6 o  679.850   5.6937  1599.73   26.791  1546.56   36.782  1659.81   39.100  668.405   7.9510  692.437   8.1587 -24.03217 11.39217 
1 1 1    5   37    7 o  510.033   5.8757  900.396   20.741  916.423   25.040  865.366   37.019  514.529   7.0316  499.893   10.700 14.63635 12.80348 
1 1 1    5   37    8 o  215.438   5.3520  160.649   7.9802  113.512   20.585  168.986   8.6572  180.167   16.698  220.954   5.6611 -40.78708 17.63169 
1 1 1    5   37    9 o  520.424   5.9456  937.550   21.416  957.561   40.042  929.532   25.345  525.753   11.004  518.161   7.0673 7.592224 13.07811 
1 1 1    5   37   10 f  129.671   14.327   59.031   12.643   60.049   18.280   58.098   17.505  129.761   21.077  127.687   20.501 2.074554 29.40361 
1 1 1    5   37   11 o  482.698   10.823  807.805   36.158  807.805   36.158   0.0000   0.0000  482.698   10.823  ?   ?  0.000000 10.82295 
1 1 1    5   37   12 o  351.399   7.5148  427.837   18.277  395.756   25.355  462.537   26.369  337.744   10.847  365.164   10.434 -27.42017 15.05022 
1 1 1    5   37   13 o  330.498   7.8102  378.643   17.865  366.439   25.878  389.756   24.694  324.802   11.512  335.066   10.648 -10.26437 15.68144 
1 1 1    5   37   14 o   46.575   19.593   1.0266   10.734 -13.7854   16.402   12.122   14.196   46.288   21.464   65.234   23.964 -18.94562 32.17055 
1 1 1    5   37   15 o  300.559   8.0043  313.527   16.651  282.927   23.470  344.537   23.626  285.014   11.898  314.689   10.848 -29.67529 16.10059 
1 1 1    5   37   16 o  159.963   11.961   89.764   13.147   63.512   17.949  120.146   19.310  132.523   20.209  184.493   15.259 -51.96996 25.32261 
1 1 1    5   37   17 o   78.126   22.883   22.370   13.168   36.620   18.484   7.6878   18.763   98.677   26.503   65.546   26.567 33.13161 37.52600 
1 1 1    5   37   18 o   92.045   19.905   31.458   12.312   37.746   17.343   25.068   17.481   99.732   25.134   82.938   26.757 16.79459 36.71072 
1 1 1    5   39    0 o  485.744   5.8145  816.620   19.548  741.463   31.633  863.048   24.863  462.795   9.8759  499.344   7.1941 -36.54932 12.21838 
1 1 1    5   39    1 o  748.614   6.0779  1939.67   31.491  1885.71   43.447  1999.38   45.709  738.077   8.5052  759.992   8.6898 -21.91553 12.15943 
1 1 1    5   39    2 o  240.822   6.3005  200.729   10.502  192.350   12.505  220.781   19.344  235.733   7.6643  252.521   11.068 -16.78804 13.46273 
1 1 1    5   39    3 o  477.703   5.0056  789.787   16.550  755.775   22.681  828.519   24.203  467.279   7.0130  489.248   7.1478 -21.96942 10.01361 
1 1 1    5   39    4 o  1293.01   10.526  5788.67   94.199  5704.57  113.896  5970.73  167.583  1283.41   12.822  1312.46   18.449 -29.04565 22.46699 
1 1 1    5   39    5 o  542.490   6.0960  1018.63   22.888 1000.000   40.543  1027.35   27.730  537.388   10.901  544.781   7.3544 -7.392761 13.14956 
1 1 1    5   39    6 o  154.113   6.6030   82.213   7.0430   85.367   9.5005   78.365   10.494  156.779   8.7910  150.092   10.162 6.686325 13.43664 
1 1 1    5   39    7 o  308.430   4.8325  329.254   10.316  326.984   14.320  331.703   14.873  307.341   6.7322  309.548   6.9421 -2.206635 9.670325 
1 1 1    5   39    8 o  524.768   5.1458  953.187   18.690  915.122   39.342  964.282   21.239  513.978   11.059  527.797   5.8143 -13.81909 12.49465 
1 1 1    5   39    9 o  916.261   6.9467  2906.74   44.053  2666.34   83.215  3000.34   51.926  876.912   13.711  930.815   8.0602 -53.90332 15.90469 
1 1 1    5   39   10 o  242.270   13.039  204.195   21.782  204.195   21.782   0.0000   0.0000  242.270   13.039  ?   ?  0.000000 13.03859 
1 1 1    5   39   11 o  626.259   8.1786  1358.99   35.449  1361.95   50.430  1356.10   49.842  626.527   11.630  625.194   11.519 1.332397 16.36853 
1 1 1    5   39   12 o  332.905   7.7639  384.099   17.889  406.927   26.245  364.293   24.447  342.386   11.075  323.970   10.903 18.41684 15.54146 
1 1 1    5   39   13 o  502.616   7.6563  875.861   26.634  901.951   38.831  852.683   36.599  509.538   11.011  495.484   10.673 14.05402 15.33437 
1 1 1    5   39   14 o  135.095   13.052   64.170   12.052   68.195   18.041   60.927   16.195  138.046   19.420  130.564   18.434 7.481735 26.77597 
1 1 1    5   39   15 o  158.651   11.250   88.092   12.273  102.976   17.897   74.878   16.863  170.835   15.299  145.066   17.126 25.76991 22.96399 
1 1 1    5   39   16 o  106.794   23.222   42.278   16.675   42.278   16.675   0.0000   0.0000  106.794   23.222  ?   ?  0.000000 23.22185 
1 1 1    5   39   17 o  176.665   11.870  109.676   14.430  110.634   19.574  108.537   21.356  176.289   16.225  174.045   17.988 2.244385 24.22464 
1 1 1    5   39   18 o   79.103   27.643   21.634   18.638   0.0000   0.0000   21.634   18.638  ?   ?    79.103   27.643 0.000000 27.64337 
1 1 1    5   41    0 o  1405.42   11.364  6839.47  110.539  6556.10  183.083  7002.02  138.665  1375.22   19.235  1421.79   14.091 -46.57129 23.84458 
1 1 1    5   41    1 o  445.370   5.0515  686.502   15.571  680.463   21.781  692.815   22.269  443.380   7.0980  447.385   7.1917 -4.004852 10.10456 
1 1 1    5   41    2 o  1560.42   10.785  8430.97  116.481  8155.03  158.758  8752.71  171.429  1534.26   14.951  1589.42   15.584 -55.15283 21.59564 
1 1 1    5   41    3 o  602.264   6.2415  1255.48   26.017  1240.39   31.664  1286.83   45.644  598.604   7.6428  609.612   10.818 -11.00806 13.24545 
1 1 1    5   41    4 o  715.643   5.9976  1772.68   29.706  1710.31   40.381  1846.24   43.856  702.876   8.3009  730.259   8.6771 -27.38354 12.00823 
1 1 1    5   41    5 o  199.514   6.0785  137.783   8.3936  140.424   11.660  134.943   12.092  201.396   8.3653  197.422   8.8498 3.974792 12.17770 
1 1 1    5   41    6 o  481.816   5.6712  803.540   18.912  784.878   30.697  814.958   24.010  476.095   9.3158  485.194   7.1498 -9.098389 11.74327 
1 1 1    5   41    7 o  322.374   4.8658  359.710   10.856  331.059   14.684  394.259   16.124  309.239   6.8605  337.467   6.9035 -28.22778 9.732679 
1 1 1    5   41    8 o  180.328   6.7502  112.584   8.4247  105.595   9.2378  147.122   20.537  174.630   7.6431  205.457   14.536 -30.82652 16.42310 
1 1 1    5   41    9 o  106.522   8.5687   39.559   6.2638   43.932   17.958   38.954   6.6836  110.123   24.221  105.634   9.2345 4.489128 25.92133 
1 1 1    5   41   10 o  299.944   8.1532  311.701   16.926  295.073   24.187  327.659   23.694  291.635   11.983  307.369   11.138 -15.73431 16.35974 
1 1 1    5   41   12 o  153.274   16.313   82.829   17.039   0.0000   0.0000   82.829   17.039  ?   ?   153.274   16.313 0.000000 16.31303 
1 1 1    5   41   13 o  268.856   8.1347  250.743   15.137  237.756   21.317  263.951   21.498  261.458   11.780  275.543   11.273 -14.08511 16.30477 
1 1 1    5   41   14 o  331.284   7.7358  380.819   17.737  376.146   25.695  385.073   24.515  328.745   11.293  332.729   10.645 -3.984131 15.51952 
1 1 1    5   41   15 o  151.001   16.933   81.122   17.392   81.122   17.392   0.0000   0.0000  151.001   16.933  ?   ?  0.000000 16.93298 
1 1 1    5   41   16 o  166.036   11.417   96.705   13.040   95.610   18.044   97.902   18.866  164.004   16.104  165.824   16.664 -1.820404 23.17379 
1 1 1    5   41   17 o  181.081   11.316  115.159   14.111  111.024   19.171  120.049   20.847  176.546   15.858  183.387   16.605 -6.841751 22.96126 
1 1 1    5   43    0 o  104.283   11.160   38.090   7.9296   35.700   10.763   40.928   11.727  100.248   16.054  107.465   16.277 -7.216858 22.86190 
1 1 1    5   43    1 o  1387.18   9.7361  6662.66   93.475  6470.72  128.063  6881.53  136.753  1366.71   13.538  1409.37   14.020 -42.66345 19.48941 
1 1 1    5   43    2 o  306.847   6.0712  325.901   12.894  314.809   15.551  350.293   23.062  301.564   7.4510  318.055   10.476 -16.49078 12.85577 
1 1 1    5   43    3 o  1062.52   9.0387  3908.80   66.469  3868.65   80.312  3996.10  118.427  1056.92   10.979  1073.74   15.936 -16.82239 19.35165 
1 1 1    5   43    4 o  270.886   5.5065  253.985   10.324  251.205   14.135  257.164   15.114  269.375   7.5815  272.545   8.0125 -3.169983 11.03087 
1 1 1    5   43    5 o  510.036   5.9157  900.453   20.883  940.000   35.114  878.812   25.976  521.000   9.7379  503.831   7.4491 17.16876 12.26033 
1 1 1    5   43    6 o  353.896   6.0778  433.545   14.887  428.390   27.949  435.587   17.589  351.643   11.484  354.707   7.1648 -3.063202 13.53549 
1 1 1    5   43    7 o  280.666   6.4195  272.716   12.470  222.732   23.269  292.856   14.770  253.119   13.329  290.827   7.3379 -37.70761 15.21560 
1 1 1    5   43    8 o  547.616   5.1964  1038.13   19.695  977.423   26.510  1112.92   29.424  531.277   7.2095  566.892   7.4994 -35.61517 10.40279 
1 1 1    5   43    9 o  182.157   7.2072  114.926   9.0864  123.805   18.919  112.264   10.359  188.243   14.636  180.009   8.3150 8.234009 16.83339 
1 1 1    5   43   10 o  195.003   6.0425  131.695   8.1552  115.707   18.938  135.334   9.0360  181.779   15.192  197.664   6.6050 -15.88512 16.56564 
1 1 1    5   43   11 o  161.352   15.604   91.512   17.208   0.0000   0.0000   91.512   17.208  ?   ?   161.352   15.604 0.000000 15.60400 
1 1 1    5   43   12 o  137.396   12.879   66.255   12.104   40.927   17.820   87.951   16.492  105.615   24.801  158.092   15.263 -52.47807 29.12119 
1 1 1    5   43   13 o  446.916   7.6122  692.835   23.546  687.317   33.780  698.049   32.838  444.565   10.979  448.099   10.588 -3.534149 15.25256 
1 1 1    5   43   14 f   61.204   20.826   12.308   10.553   16.576   15.199   8.3366   14.663   71.627   24.967   61.125   23.902 10.50237 34.56400 
1 1 1    5   43   15 o   56.958   21.145   9.0967   11.104   2.4078   16.127   15.127   15.312   57.221   24.041   69.660   24.988 -12.43919 34.67507 
1 1 1    5   43   16 o  118.979   15.841   50.747   12.721   43.044   17.220   60.000   18.873  107.285   23.812  127.664   22.163 -20.37952 32.53067 
1 1 1    5   43   17 o  108.358   18.920   43.122   13.673   21.059   19.308   65.317   19.366   79.024   28.090  132.878   21.815 -53.85479 35.56558 
1 1 1    5   45    0 o  1094.90   8.0170  4150.33   60.753  4034.81   83.466  4280.49   88.598  1079.34   11.173  1111.68   11.515 -32.34668 16.04476 
1 1 1    5   45    1 f  273.576   6.7251  259.082   12.734  244.146   21.857  266.755   15.667  265.487   11.895  277.578   8.1551 -12.09079 14.42224 
1 1 1    5   45    2 o  643.573   5.7291  1433.65   25.519  1377.49   34.863  1498.46   37.453  630.774   7.9858  657.878   8.2256 -27.10400 11.46446 
1 1 1    5   45    3 o  266.911   5.6662  246.594   10.467  238.530   14.375  255.695   15.272  262.480   7.9129  271.757   8.1195 -9.276917 11.33759 
1 1 1    5   45    4 o  587.885   5.4868  1196.29   22.325  1164.40   30.721  1231.98   32.499  579.929   7.6539  596.513   7.8717 -16.58331 10.97931 
1 1 1    5   45    5 o  634.256   5.6479  1392.52   24.793  1365.21   34.297  1422.42   35.882  627.917   7.8919  640.931   8.0889 -13.01355 11.30097 
1 1 1    5   45    6 o  470.357   5.7746  765.873   18.798  779.024   31.052  758.265   23.618  474.235   9.4605  467.965   7.2922 6.270294 11.94477 
1 1 1    5   45    7 o  341.344   8.1434  403.565   19.239  374.634   26.481  435.902   27.997  328.731   11.639  354.607   11.407 -25.87570 16.29716 
1 1 1    5   45    8 o  516.565   5.7580  923.924   20.586  878.262   24.735  1026.83   37.133  503.566   7.0971  544.283   9.8572 -40.71674 12.14636 
1 1 1    5   45    9 o  481.522   10.982  804.390   36.600  804.390   36.600   0.0000   0.0000  481.522   10.982  ?   ?  0.000000 10.98222 
1 1 1    5   45   10 o  155.669   7.3010   83.973   7.8661   67.268   18.730   87.551   8.6675  137.264   20.330  158.932   7.8796 -21.66837 21.80383 
1 1 1    5   45   11 o  287.279   8.1442  286.189   16.193  300.488   22.925  271.951   22.876  294.091   11.263  279.723   11.816 14.36838 16.32405 
1 1 1    5   45   12 o  231.762   8.9594  186.446   14.371  176.976   20.694  195.268   19.973  224.995   13.349  236.559   12.241 -11.56422 18.11175 
1 1 1    5   45   13 o  288.536   7.8213  288.918   15.619  283.951   22.293  293.707   21.890  285.610   11.278  290.533   10.886 -4.923096 15.67457 
1 1 1    5   45   14 o   93.969   24.747   32.746   16.318   32.746   16.318   0.0000   0.0000   93.969   24.747  ?   ?  0.000000 24.74746 
1 1 1    5   45   15 o  141.726   13.107   70.909   12.711   59.171   17.633   83.610   18.341  127.403   20.708  152.854   17.662 -25.45123 27.21679 
1 1 1    5   45   16 o  241.366   13.312  205.219   22.152   0.0000   0.0000  205.219   22.152  ?   ?   241.366   13.312 0.000000 13.31209 
1 1 1    5   45   17 o  104.285   19.378   40.275   13.472   43.171   18.645   37.112   19.486  105.993   25.685   98.022   27.568 7.971291 37.67909 
1 1 1    5   47    0 o  435.914   5.2617  657.729   15.875  663.903   22.233  651.309   22.675  437.909   7.3355  433.730   7.5534 4.179016 10.52919 
1 1 1    5   47    1 o  652.746   6.6516  1475.01   30.050  1466.37   36.662  1492.68   52.457  650.773   8.1396  656.404   11.547 -5.630920 14.12728 
1 1 1    5   47    2 o   66.623   17.305   15.973   8.0508   13.095   11.073   19.200   11.726   63.513   21.334   73.721   21.594 -10.20848 30.35551 
1 1 1    5   47    3 o  417.463   5.1901  603.241   14.996  615.776   21.046  590.314   21.372  421.729   7.2105  412.911   7.4786 8.818573 10.38845 
1 1 1    5   47    4 o  310.404   5.3802  333.525   11.559  315.452   15.776  354.473   16.984  301.833   7.5517  319.954   7.6695 -18.12122 10.76329 
1 1 1    5   47    5 o  211.734   6.2125  155.212   9.1040  162.963   12.368  146.047   13.449  216.919   8.2383  205.325   9.4642 11.59320 12.54754 
1 1 1    5   47    6 o  396.834   5.6752  545.207   15.587  563.600   19.668  514.146   25.559  403.423   7.0441  385.203   9.5869 18.22037 11.89656 
1 1 1    5   47    7 o  339.598   5.5962  399.310   13.153  389.555   16.095  418.927   22.824  335.377   6.9339  347.666   9.4854 -12.28949 11.74951 
1 1 1    5   47    8 o  359.743   4.9092  448.073   12.223  436.879   16.618  461.270   18.042  355.141   6.7607  364.901   7.1439 -9.759094 9.835784 
1 1 1    5   47    9 o  235.270   5.1144  191.673   8.3279  190.866   11.036  192.741   12.692  234.716   6.7935  235.824   7.7760 -1.108047 10.32557 
1 1 1    5   47   10 o  304.636   5.3349  321.425   11.248   0.0000   0.0000  321.425   11.248  ?   ?   304.636   5.3349 0.000000 5.334903 
1 1 1    5   47   11 o   44.141   19.320  -2.4482   11.242   4.1356   15.300 -10.1756   16.575   57.956   23.798   48.824   22.244 9.132042 32.57558 
1 1 1    5   47   12 o  226.102   9.0049  177.533   14.092  178.781   20.165  176.342   19.700  226.114   12.939  224.599   12.725 1.514648 18.14826 
1 1 1    5   47   13 o  138.393   18.687   68.634   17.441   68.634   17.441   0.0000   0.0000  138.393   18.687  ?   ?  0.000000 18.68689 
1 1 1    5   47   14 o   61.580   21.581   12.115   11.363   8.1366   16.090   16.073   16.050   62.644   24.869   71.494   25.589 -8.850666 35.68279 
1 1 1    5   47   15 o  232.917   9.1073  188.928   14.681  179.024   20.337  199.707   21.217  225.613   13.080  238.378   12.908 -12.76512 18.37655 
1 1 1    5   47   16 o   96.908   19.903   34.845   12.903   14.790   17.842   56.829   18.680   70.970   26.713  123.463   22.698 -52.49295 35.05362 
1 1 1    5   49    0 o  323.940   6.2801  363.292   14.080  367.907   16.927  352.927   25.367  325.963   7.5030  319.132   11.485 6.830902 13.71848 
1 1 1    5   49    1 o  830.282   6.6083  2386.71   37.975  2353.75   52.929  2421.68   54.514  824.343   9.2770  836.143   9.4201 -11.79938 13.22124 
1 1 1    5   49    2 o  414.377   5.2354  594.389   15.015  597.969   21.231  590.806   21.237  415.560   7.3817  413.062   7.4287 2.498138 10.47253 
1 1 1    5   49    3 o  456.954   5.9412  722.899   18.790  742.439   31.584  712.196   23.376  462.915   9.8581  453.503   7.4476 9.411774 12.35518 
1 1 1    5   49    4 o  629.043   5.6679  1369.93   24.676  1347.65   34.357  1393.66   35.464  623.777   7.9581  634.325   8.0779 -10.54871 11.33950 
1 1 1    5   49    5 o  509.400   7.8766  898.846   27.770  882.927   38.774  915.610   39.790  504.629   11.102  513.876   11.188 -9.247253 15.76127 
1 1 1    5   49    6 o  294.156   5.2700  299.586   10.729  323.800   14.994  274.176   15.360  305.750   7.0854  281.317   7.8888 24.43317 10.60359 
1 1 1    5   49    7 o  531.975   5.2671  979.908   19.393  965.207   26.995  995.585   27.877  527.818   7.3897  536.049   7.5140 -8.231201 10.53887 
1 1 1    5   49    8 o  274.580   6.6215  261.191   12.584  224.781   23.645  275.578   14.863  253.931   13.503  281.991   7.6155 -28.05943 15.50212 
1 1 1    5   49    9 o  297.123   5.3737  305.764   11.051  315.659   16.590  297.874   14.816  301.740   7.9439  293.158   7.3020 8.581451 10.79008 
1 1 1    5   49   10 o   33.373   14.423  -0.7538   6.1019 -20.3024   15.141   3.0369   6.6673   40.367   19.287   40.394   16.017 -0.2693558E-01 25.07019 
1 1 1    5   49   11 o   32.942   13.755   0.7101   5.2298   21.141   15.563  -1.8909   5.5527   78.110   25.251   30.230   13.391 47.87959 28.58225 
1 1 1    5   49   12 o  239.960   8.7993  200.021   14.614  192.683   21.027  206.878   20.325  234.640   12.998  243.633   12.054 -8.992889 17.72723 
1 1 1    5   49   13 o  271.549   8.5077  256.267   15.990  279.024   23.558  236.829   21.773  282.749   12.038  260.487   12.077 22.26208 17.05185 
1 1 1    5   49   14 o  141.702   13.326   70.953   12.916   98.000   19.085   48.098   17.544  165.823   16.864  113.901   23.047 51.92152 28.55789 
1 1 1    5   49   15 o  253.370   9.5470  223.895   16.742  188.488   24.486  254.976   22.942  230.551   15.435  269.698   12.291 -39.14687 19.73032 
1 1 1    5   51    0 o  189.575   7.1968  124.459   9.4428  140.294   13.004  106.799   13.734  201.224   9.3376  175.147   11.391 26.07712 14.72933 
1 1 1    5   51    1 o  442.676   5.3117  678.411   16.274  700.999   23.092  656.124   22.938  449.899   7.4161  435.251   7.6146 14.64789 10.62927 
1 1 1    5   51    2 o  605.728   6.4409  1270.49   27.003  1281.95   46.232  1264.56   33.266  608.094   10.985  604.214   7.9549 3.880493 13.56277 
1 1 1    5   51    3 o  786.535   7.4233  2142.73   40.410  2065.85   68.607  2183.57   50.005  771.615   12.847  793.819   9.1016 -22.20349 15.74411 
1 1 1    5   51    4 o  629.720   5.7126  1373.07   24.898  1332.74   34.305  1417.97   36.192  620.230   7.9916  639.739   8.1740 -19.50867 11.43152 
1 1 1    5   51    5 o  104.603   12.897   38.560   9.1394   42.909   10.583   25.795   18.129  110.233   14.201   86.233   27.189 24.00046 30.67425 
1 1 1    5   51    6 o  261.201   6.1472  236.300   11.113  229.568   13.595  249.854   19.291  257.394   7.6315  268.376   10.386 -10.98193 12.88820 
1 1 1    5   51    7 o  222.806   5.8299  171.942   8.9901  162.844   12.140  182.988   13.378  216.744   8.0928  229.744   8.4131 -12.99945 11.67364 
1 1 1    5   51    8 o  131.591   7.9669   60.256   7.2217   60.027   9.4920   60.570   11.128  131.068   10.553  131.426   12.380 -0.3577576 16.26728 
1 1 1    5   51    9 o  289.279   4.9307  289.830   9.8720  269.795   13.127  315.915   14.978  278.996   6.7979  301.876   7.1689 -22.87939 9.879489 
1 1 1    5   51   10 o  123.538   21.520   55.268   17.732   55.268   17.732   0.0000   0.0000  123.538   21.520  ?   ?  0.000000 21.52012 
1 1 1    5   51   11 o   99.179   10.338   34.577   6.9919   46.283   17.846   32.455   7.5994  112.161   23.730   95.835   11.700 16.32594 26.45791 
1 1 1    5   51   12 o  330.397   8.0776  379.142   18.471  406.049   26.910  355.171   25.400  341.307   11.392  319.188   11.498 22.11978 16.18542 
1 1 1    5   51   13 o  158.593   11.887   88.333   12.953   80.976   18.805   94.976   17.867  150.228   18.476  163.545   15.990 -13.31674 24.43388 
1 1 1    5   51   14 o  114.172   21.524   48.137   16.385   0.0000   0.0000   48.137   16.385  ?   ?   114.172   21.524 0.000000 21.52435 
1 1 1    5   53    0 o  495.525   5.3481  850.170   18.342  869.246   25.959  831.153   25.919  500.927   7.4875  489.817   7.6456 11.10974 10.70135 
1 1 1    5   53    1 o  564.275   5.5318  1102.49   21.604  1084.81   30.117  1121.23   31.007  559.577   7.7764  568.884   7.8752 -9.307434 11.06763 
1 1 1    5   53    2 o  422.846   5.2507  619.073   15.366  607.592   21.367  631.375   22.116  418.798   7.3714  426.909   7.4850 -8.110901 10.50540 
1 1 1    5   53    3 o   82.838   14.614   24.551   8.0722   20.880   10.960   28.904   11.934   76.057   20.400   89.304   19.824 -13.24686 28.44579 
1 1 1    5   53    4 o  287.054   5.6110  285.349   11.148  280.294   15.419  290.886   16.136  284.406   7.8330  289.719   8.0471 -5.313293 11.22996 
1 1 1    5   53    5 o  170.615   8.1560  100.898   9.6310  106.890   11.980   89.951   16.193  175.262   9.9173  160.129   14.777 15.13263 17.79677 
1 1 1    5   53    6 o   37.410   16.420  -2.0905   8.1711   1.2622   9.2135 -14.4439   17.685   43.710   18.255   48.387   22.384 -4.676624 28.88403 
1 1 1    5   53    7 f  504.661   5.2602  882.094   18.373  875.365   25.500  889.360   26.496  502.533   7.3315  506.508   7.5582 -3.975067 10.52980 
1 1 1    5   53    8 o  168.850   6.8083   98.821   7.9564   96.623   10.438  101.868   12.291  166.611   9.0865  170.932   10.440 -4.320679 13.84022 
1 1 1    5   53    9 o  161.688   8.6786   91.001   9.6764   83.756   19.032   93.526   11.237  153.512   18.272  163.773   9.9611 -10.26048 20.81080 
1 1 1    5   53   10 o  122.103   7.1660   51.894   6.0294   46.577   7.5837   61.030   9.9406  115.377   9.5838  131.983   10.982 -16.60614 14.57574 
1 1 1    5   53   11 o  175.840   6.7323  107.262   8.1933   93.805   19.780  110.049   9.0019  162.309   17.906  178.072   7.3040 -15.76294 19.33794 
1 1 1    5   53   12 o  209.116   9.8167  152.252   14.208  171.073   22.115  139.024   18.540  220.398   14.580  198.836   13.553 21.56288 19.90655 
1 1 1    5   53   13 o   72.370   21.738   19.008   11.764   27.146   18.089   13.044   15.486   86.283   27.152   67.072   24.957 19.21034 36.87946 
1 1 1    5   53   14 f   66.150   22.552   14.869   12.376   22.268   18.176   8.4732   16.898   79.857   27.330   63.501   25.396 16.35552 37.30779 
1 1 1    5   55    0 o  372.398   5.2930  480.221   13.642  507.157   19.332  453.501   19.254  382.590   7.3008  361.761   7.6900 20.82825 10.60365 
1 1 1    5   55    1 o  500.343   6.2051  867.099   21.488  881.340   26.381  839.024   37.040  504.326   7.5578  491.722   10.884 12.60419 13.25039 
1 1 1    5   55    2 o  420.599   5.2319  612.585   15.230  622.003   21.243  602.625   21.847  423.692   7.2441  417.016   7.5694 6.676086 10.47728 
1 1 1    5   55    3 o  568.410   5.5444  1118.94   21.812  1118.12   30.657  1119.78   31.040  567.988   7.7986  568.398   7.8902 -0.4095459 11.09388 
1 1 1    5   55    4 o  188.911   14.805  124.976   19.203  124.976   19.203   0.0000   0.0000  188.911   14.805  ?   ?  0.000000 14.80549 
1 1 1    5   55    5 o  162.027   7.6887   91.006   8.6222   99.558   11.714   80.897   12.737  169.068   10.056  152.080   12.204 16.98782 15.81330 
1 1 1    5   55    6 f  267.184   5.5789  247.289   10.317  246.145   14.075  248.618   15.166  266.448   7.6324  267.746   8.1840 -1.297791 11.19068 
1 1 1    5   55    7 o   46.388   17.374   5.6340   7.5294   15.278   10.736  -3.7012   10.563   66.330   20.924   41.492   18.420 24.83716 27.87638 
1 1 1    5   55    8 o  255.604   5.5213  226.371   9.7676  230.146   13.264  221.898   14.438  257.597   7.4395  252.873   8.2496 4.723221 11.10861 
1 1 1    5   55    9 o  308.790   5.5422  330.438   11.845  323.073   17.971  336.095   15.749  305.035   8.5123  311.258   7.3108 -6.223145 11.22086 
1 1 1    5   55   10 o  166.431   6.2487   96.054   7.1978   98.537   9.4863   92.686   11.050  168.446   8.1369  162.943   9.8447 5.503220 12.77215 
1 1 1    5   55   11 o  258.273   6.8219  231.499   12.194  219.463   23.123  236.136   14.353  250.102   13.407  260.713   7.9542 -10.61072 15.58884 
1 1 1    5   55   12 f  159.288   11.854   89.161   12.975  125.317   21.936   69.707   16.091  187.620   17.080  139.521   17.016 48.09959 24.10940 
1 1 1    5   55   13 o   89.360   21.324   29.791   13.005   25.351   21.465   32.366   16.346   85.443   29.677   92.672   24.937 -7.229126 38.76339 
1 1 1    5   57    0 o  485.244   6.1473  815.688   20.645  796.585   34.815  826.049   25.640  479.045   10.501  488.181   7.5885 -9.136078 12.95564 
1 1 1    5   57    1 f  271.466   5.7464  255.259   10.797  256.600   14.917  253.784   15.647  272.064   7.9218  270.541   8.3565 1.523651 11.51460 
1 1 1    5   57    2 o  157.743   10.990   86.825   11.924   86.825   11.924   0.0000   0.0000  157.743   10.990  ?   ?  0.000000 10.99048 
1 1 1    5   57    3 o   99.161   12.066   34.676   8.1105   37.570   10.898   31.084   12.142  102.632   15.854   92.534   19.570 10.09766 25.18607 
1 1 1    5   57    4 o   40.027   16.560   1.4943   7.4811   21.706   10.257 -21.4797   10.935   77.238   19.254   30.889   15.134 46.34920 24.48997 
1 1 1    5   57    5 o  101.059   13.848   36.228   9.4309   38.868   17.186   35.090   11.281  102.902   24.486   98.821   17.114 4.081444 29.87384 
1 1 1    5   57    6 o  307.257   6.0515  327.156   12.869  327.317   20.696  327.055   16.432  306.993   9.7403  307.074   7.7316 -0.8148193E-01 12.43590 
1 1 1    5   57    7 o  384.230   11.328  513.659   30.125   0.0000   0.0000  513.659   30.125  ?   ?   384.230   11.328 0.000000 11.32821 
1 1 1    5   57    8 o   65.977   15.537   15.840   6.9773   24.552   8.9664   2.4662   11.109   82.315   16.315   48.798   20.184 33.51657 25.95304 
1 1 1    5   57    9 o  114.453   9.7057   45.882   7.6158   54.050   9.2262   28.415   13.492  124.120   10.849   87.793   22.193 36.32749 24.70291 
1 1 1    5   57   10 o  149.950   6.9621   78.041   7.2255   75.524   9.4994   81.495   11.130  147.042   9.3831  152.575   10.606 -5.533127 14.16064 
1 1 1    5   57   11 f   40.095   16.065   2.8070   6.7756   30.205   17.868  -1.7945   7.3225   90.298   26.715   35.327   15.524 54.97098 30.89809 
1 1 1    5   57   12 o   59.152   13.509   12.769   5.4093   0.0000   0.0000   12.769   5.4093  ?   ?    59.152   13.509 0.000000 13.50931 
1 1 1    5   57   13 o   71.743   23.407   18.373   13.356   7.5854   20.027   27.015   17.924   66.392   27.241   85.338   27.049 -18.94653 38.38890 
1 1 1    5   59    0 o  127.434   11.634   56.915   10.148   66.195   17.790   52.439   12.356  136.132   19.433  121.748   14.979 14.38387 24.53624 
1 1 1    5   59    1 o  306.256   5.6001  324.918   11.870  345.609   16.844  304.505   16.731  315.707   7.7086  296.304   8.1583 19.40344 11.22412 
1 1 1    5   59    2 o  247.893   7.2784  213.044   12.487  214.146   21.719  212.500   15.262  247.749   12.709  247.463   8.9111 0.2863770 15.52213 
1 1 1    5   59    3 o  145.158   9.6831   73.486   9.6724   76.165   11.801   68.000   16.885  147.542   11.651  138.234   18.082 9.307922 21.51010 
1 1 1    5   59    4 o  233.942   6.0693  189.659   9.8271  198.339   13.713  180.495   14.090  239.090   8.2866  228.034   8.9278 11.05583 12.18087 
1 1 1    5   59    5 o   73.443   15.397   19.542   7.5765   18.342   10.497   20.846   10.947   71.303   20.297   75.696   20.423 -4.392960 28.79357 
1 1 1    5   59    7 o  193.770   6.4677  130.200   8.6739  128.668   11.874  131.952   12.701  192.449   8.9148  194.846   9.4183 -2.396805 12.96831 
1 1 1    5   59    8 o  288.244   5.3056  287.962   10.584  312.252   14.928  263.408   15.009  299.961   7.1906  275.426   7.8738 24.53510 10.66308 
1 1 1    5   59    9 o  247.566   6.1902  212.594   10.606  207.385   12.988  223.024   18.377  244.360   7.6796  253.010   10.495 -8.650833 13.00426 
1 1 1    5   59   10 o  118.064   11.886   49.188   9.5807   57.171   20.754   47.027   10.800  123.841   25.074  115.014   13.846 8.827484 28.64302 
1 1 1    5   59   11 o  243.177   6.9545  205.436   11.705  282.976   28.569  189.794   12.831  283.174   14.627  233.599   7.9363 49.57529 16.64104 
1 1 1    5   59   12 f   98.044   9.5410   33.863   6.3922   20.278   20.397   35.342   6.7313   78.974   28.768  100.128   9.8405 -21.15358 30.40480 
1 1 1    5   61    0 o  114.160   10.646   45.691   8.3143   38.822   11.424   53.427   12.124  104.143   16.391  122.906   14.534 -18.76297 21.90638 
1 1 1    5   61    1 o  313.065   5.5916  339.592   12.116  360.733   17.232  318.925   17.038  322.480   7.7207  303.179   8.1197 19.30057 11.20438 
1 1 1    5   61    2 o  317.248   7.5738  349.112   16.630  349.112   16.630   0.0000   0.0000  317.248   7.5738  ?   ?  0.000000 7.573778 
1 1 1    5   61    3 o   79.606   17.210   23.043   9.2057   18.525   10.811   34.956   17.556   71.703   20.658   97.397   25.678 -25.69370 32.95645 
1 1 1    5   61    4 o  267.736   5.6819  248.423   10.529  246.004   14.695  250.974   15.092  266.243   7.9750  268.906   8.1091 -2.662964 11.37356 
1 1 1    5   61    5 o  204.638   7.2268  145.280   10.236  170.098   17.045  131.285   12.800  220.763   11.192  194.353   9.5160 26.40988 14.69093 
1 1 1    5   61    6 o  161.807   9.1850   91.290   10.244   80.390   19.305   95.562   12.086  149.878   19.040  165.357   10.616 -15.47902 21.79949 
1 1 1    5   61    7 f  134.954   8.5703   63.542   7.9635   67.024   10.962   59.651   11.588  138.169   11.570  130.028   13.052 8.140488 17.44206 
1 1 1    5   61    8 o  175.293   9.4507  107.239   11.423  107.239   11.423   0.0000   0.0000  175.293   9.4507  ?   ?  0.000000 9.450692 
1 1 1    5   61    9 o  272.397   5.5275  257.328   10.421  258.003   14.323  256.569   15.191  272.495   7.5943  271.664   8.0793 0.8306274 11.08820 
1 1 1    5   61   10 o  260.621   5.5308  235.632   9.9764  250.815   14.029  220.099   14.190  268.603   7.5464  251.523   8.1513 17.07970 11.10816 
1 1 1    5   61   11 o   38.523   15.669   2.1985   6.5534   5.5171   8.7147  -2.1205   9.9418   47.868   18.507   41.175   18.091 6.693123 25.88065 
1 1 1    5   63    0 o  224.260   6.4791  174.383   10.056  188.237   13.995  159.593   14.460  232.817   8.6855  214.275   9.7502 18.54218 13.05775 
1 1 1    5   63    1 o  228.098   7.9182  180.581   12.501  174.683   20.735  183.948   15.668  223.323   13.478  230.031   9.8412 -6.707306 16.68879 
1 1 1    5   63    2 o  208.393   6.7121  150.610   9.6810  176.058   13.627  124.679   13.756  225.142   8.7452  189.015   10.557 36.12692 13.70891 
1 1 1    5   63    3 o  297.155   5.6338  306.057   11.587  332.157   16.463  280.441   16.310  309.355   7.6893  284.185   8.2922 25.16949 11.30866 
1 1 1    5   63    4 o  126.183   10.293   55.768   8.9110   52.293   14.114   58.072   11.491  120.795   17.382  128.311   13.124 -7.516144 21.78033 
1 1 1    5   63    5 o  104.246   11.355   38.316   8.0599   41.692   11.495   35.051   11.305  107.905   15.865   98.462   17.215 9.443085 23.41082 
1 1 1    5   63    6 o  162.715   7.8174   91.961   8.8037   90.357   12.512   93.534   12.389  160.576   11.331  163.443   11.016 -2.867691 15.80382 
1 1 1    5   63    7 o  136.744   8.7227   65.293   8.2123   74.721   11.435   55.249   11.802  145.884   11.416  124.822   13.897 21.06183 17.98483 
1 1 1    5   63    8 o  134.050   8.6510   62.778   7.9833   69.727   11.051   55.192   11.546  140.829   11.436  124.746   13.593 16.08304 17.76393 
1 1 1    5   63    9 o  138.103   8.6449   66.661   8.2215   68.974   11.070   63.817   12.277  139.958   11.531  134.176   13.399 5.781555 17.67776 
1 1 1    5   63   10 o  127.766   9.3228   57.252   8.1870   64.049   11.820   50.984   11.351  134.407   12.864  119.506   13.988 14.90125 19.00331 
1 1 1    5   65    0 o   53.444   19.726   8.0406   9.6364   6.4829   15.832   8.9573   12.145   60.762   24.482   58.292   22.017 2.469856 32.92599 
1 1 1    5   65    1 o  187.750   7.2195  122.336   9.3813  118.164   13.016  126.847   13.534  183.970   10.263  190.625   10.296 -6.654816 14.53760 
1 1 1    5   65    2 o   47.461   17.978   5.7460   8.1126   15.974   11.413  -4.6986   11.533   67.632   21.600   42.606   19.058 25.02665 28.80545 
1 1 1    5   65    3 o   87.574   15.163   27.636   8.8579   36.029   13.739   21.667   11.588   99.054   20.708   76.908   21.122 22.14548 29.57978 
1 1 1    5   65    4 o  143.652   10.126   72.209   10.003   76.498   12.116   63.024   17.730  147.562   11.966  131.959   20.043 15.60333 23.34345 
1 1 1    5   65    5 o   53.541   17.996   9.5360   7.8788   14.295   11.218   4.9026   11.068   64.726   21.468   51.392   20.553 13.33413 29.72012 
1 1 1    5   65    6 o   60.142   17.802   12.998   7.9327   17.231   10.874   8.1831   11.598   69.168   20.928   56.319   21.456 12.84898 29.97242 
1 1 1    5   65    7 f  175.671   9.1179  107.756   11.048  130.000   21.388   99.661   12.902  191.230   16.316  168.551   11.123 22.67952 19.74658 
1 1 1    5   65    8 o   33.917   15.172  -2.9936   7.3100  -5.0830   10.221  -0.8056   10.459   39.162   17.693   43.664   18.877 -4.501339 25.87263 
1 1 1    5   67    1 o  212.847   6.8452  157.249   10.084  174.715   14.212  139.542   14.310  224.091   9.1636  199.852   10.381 24.23895 13.84701 
1 1 1    5   67    3 o  151.177   8.5362   79.730   8.8951   86.725   12.557   72.686   12.602  157.169   11.626  143.579   12.816 13.59023 17.30396 
1 1 1    5   67    4 o  140.217   8.9281   68.696   8.6193   83.580   12.329   54.467   12.054  154.243   11.635  123.764   14.338 30.47889 18.46496 
1 1 1    5   67    5 o  120.244   12.092   51.082   9.9270   58.629   11.731   32.044   18.631  128.626   13.373   92.629   27.244 35.99726 30.34918 
1 1 1    5   67    6 o   39.125   17.002  -1.1405   8.5723  -0.7353   10.825  -1.8220   14.039   44.519   19.226   49.719   21.680 -5.200306 28.97704 
1 1 1    5   69    0 o  243.682   7.5495  206.369   12.733  222.884   15.521  172.390   22.264  253.041   8.8626  220.965   14.641 32.07660 17.11449 
1 1 1    5   69    1 o   54.558   18.372   9.9463   8.2119   11.802   11.777   8.1904   11.457   61.403   21.926   56.056   21.333 5.347004 30.59146 
1 1 1    5   69    2 o   73.744   18.765   20.061   9.6010   14.302   15.963   23.325   12.018   68.983   25.401   79.349   21.395 -10.36587 33.21052 
1 1 1    5   69    3 o  206.565   8.4259  148.502   12.046  152.537   21.759  146.719   14.465  207.487   15.259  205.052   10.193 2.435196 18.35009 
1 1 1    5   69    4 o  109.663   11.208   42.483   8.3870   54.835   11.866   30.153   11.856  124.088   14.065   90.261   19.544 33.82768 24.07927 
1 1 1    5   69    5 o  207.109   7.4309  149.184   10.652  176.091   13.706  108.146   16.926  224.784   8.8097  174.660   14.123 50.12338 16.64540 
1 1 1    5   71    0 o  101.872   13.061   37.033   8.9970   30.554   12.565   43.851   12.889   90.564   20.521  109.796   17.552 -19.23222 27.00334 
1 1 1    5   71    1 o  203.207   8.1179  143.758   11.417  127.854   18.851  152.972   14.348  189.891   14.452  209.312   9.9043 -19.42110 17.52004 
1 1 1    6    0    0 o  627.353   7.2081  1362.57   31.288  1362.57   31.288  1362.57   31.288  627.353   7.2081  627.353   7.2081 0.000000 0.000000 
1 1 1    6    0    1 o  1360.37   13.282  6406.68  125.030  6406.68  125.030  6406.68  125.030  1360.37   13.282  1360.37   13.282 0.000000 0.000000 
1 1 1    6    0    2 o  1235.80   12.195  5287.03  104.281  5287.03  104.281  5287.03  104.281  1235.80   12.195  1235.80   12.195 0.000000 0.000000 
1 1 1    6    0    3 o  832.794   12.477  2401.95   71.879  2401.95   71.879  2401.95   71.879  832.794   12.477  832.794   12.477 0.000000 0.000000 
1 1 1    6    0    4 o  1304.65   12.825  5892.80  115.777  5892.80  115.777  5892.80  115.777  1304.65   12.825  1304.65   12.825 0.000000 0.000000 
1 1 1    6    0    5 o  1018.63   10.387  3592.23   73.214  3592.23   73.214  3592.23   73.214  1018.63   10.387  1018.63   10.387 0.000000 0.000000 
1 1 1    6    0    6 o  1553.76   21.313  8365.85  229.099  8365.85  229.099  8365.85  229.099  1553.76   21.313  1553.76   21.313 0.000000 0.000000 
1 1 1    6    0    7 o  1278.74   17.914  5668.29  158.477  5668.29  158.477  5668.29  158.477  1278.74   17.914  1278.74   17.914 0.000000 0.000000 
1 1 1    6    0    8 o  1126.23   11.367  4393.29   88.585  4393.29   88.585  4393.29   88.585  1126.23   11.367  1126.23   11.367 0.000000 0.000000 
1 1 1    6    0    9 o  1033.22   10.611  3696.94   75.863  3696.94   75.863  3696.94   75.863  1033.22   10.611  1033.22   10.611 0.000000 0.000000 
1 1 1    6    0   10 o  376.749   6.3868  491.674   16.643  491.674   16.643  491.674   16.643  376.749   6.3868  376.749   6.3868 0.000000 0.000000 
1 1 1    6    0   11 o  406.259   9.3231  572.195   26.183  572.195   26.183  572.195   26.183  406.259   9.3231  406.259   9.3231 0.000000 0.000000 
1 1 1    6    0   12 o  1520.78   14.863  8012.15  156.408  8012.15  156.408  8012.15  156.408  1520.78   14.863  1520.78   14.863 0.000000 0.000000 
1 1 1    6    0   13 o  1481.71   14.549  7608.38  149.171  7608.38  149.171  7608.38  149.171  1481.71   14.549  1481.71   14.549 0.000000 0.000000 
1 1 1    6    0   14 o   93.149   26.247   36.468   14.650   36.468   14.650   36.468   14.650   93.149   26.247   93.149   26.247 0.000000 0.000000 
1 1 1    6    0   15 o  188.835   9.2064  124.412   11.967  124.412   11.967  124.412   11.967  188.835   9.2064  188.835   9.2064 0.000000 0.000000 
1 1 1    6    0   16 o   55.179   24.570   15.371   9.9430   15.371   9.9430   15.371   9.9430   55.179   24.570   55.179   24.570 0.000000 0.000000 
1 1 1    6    0   17 o  144.254   11.417   73.723   11.235   73.723   11.235   73.723   11.235  144.254   11.417  144.254   11.417 0.000000 0.000000 
1 1 1    6    0   19 o  102.593   16.711   40.052   10.921   40.052   10.921   40.052   10.921  102.593   16.711  102.593   16.711 0.000000 0.000000 
1 1 1    6    0   20 o   42.646   26.046   7.6244   14.581   7.6244   14.581   7.6244   14.581   42.646   26.046   42.646   26.046 0.000000 0.000000 
1 1 1    6    0   21 o   91.710   19.076   34.531   10.677   34.531   10.677   34.531   10.677   91.710   19.076   91.710   19.076 0.000000 0.000000 
1 1 1    6    2    0 o  2109.86   14.140 15409.04  206.485 15126.28  285.988 15716.95  298.436  2090.14   19.770  2130.53   20.239 -40.39038 28.29214 
1 1 1    6    2    1 o  174.783   3.7934  105.719   4.5889  129.991   6.7066   84.352   6.2925  193.809   4.9997  156.122   5.8235 37.68797 7.675282 
1 1 1    6    2    2 f  1722.06   13.464 10264.90  160.467 10340.02  198.193 10121.95  273.407  1728.23   16.570  1709.59   23.107 18.64124 28.43373 
1 1 1    6    2    3 o  987.478   7.1330  3374.71   48.750  3377.50   68.998  3371.92   68.889  987.849   10.092  987.032   10.084 0.8169556 14.26657 
1 1 1    6    2    4 o  1202.70   9.7482  5006.50   81.144  5004.88  140.531  5007.31   99.386  1202.31   16.888  1202.75   11.939 -0.4396973 20.68208 
1 1 1    6    2    5 o  1890.94   12.755 12378.15  166.935 12495.01  238.518 12265.95  233.719  1899.50   18.143  1882.03   17.943 17.47742 25.51677 
1 1 1    6    2    6 o  1954.67   18.639 13237.58  252.162 13019.51  349.917 13473.17  363.704  1937.41   26.096  1970.77   26.665 -33.36438 37.30927 
1 1 1    6    2    7 o  839.756   6.3576  2440.99   36.951  2438.59   52.217  2443.40   52.296  839.234   8.9898  840.061   8.9946 -0.8268433 12.71686 
1 1 1    6    2    8 o  523.791   5.5714  949.658   20.198  964.764   24.956  920.976   34.388  527.909   6.8302  515.697   9.6346 12.21143 11.81009 
1 1 1    6    2    9 o  1126.93   8.0528  4396.39   62.809  4409.76   89.103  4383.17   88.549  1128.44   11.409  1125.03   11.372 3.404663 16.10858 
1 1 1    6    2   10 o  1022.73   8.6179  3620.86   61.001  3595.75   74.214  3673.17  107.108  1019.10   10.522  1029.76   15.028 -10.65729 18.34546 
1 1 1    6    2   11 o  933.889   6.9791  3018.70   45.110  2978.96   63.063  3060.34   64.553  927.635   9.8225  940.218   9.9200 -12.58282 13.96022 
1 1 1    6    2   12 o  564.781   5.9956  1104.02   23.436  1124.88   41.343  1094.15   28.449  569.994   10.480  562.226   7.3110 7.767944 12.77804 
1 1 1    6    2   13 o  518.857   5.8628  931.825   21.054  935.122   36.356  930.162   25.824  519.665   10.108  518.366   7.1981 1.299316 12.40925 
1 1 1    6    2   14 o  469.951   5.0671  764.442   16.481  782.541   23.714  747.531   22.922  475.430   7.2067  464.675   7.1273 10.75461 10.13582 
1 1 1    6    2   15 o  345.881   5.0411  414.129   12.068  421.457   17.060  406.790   17.073  348.876   7.0654  342.748   7.1971 6.128204 10.08550 
1 1 1    6    2   16 o  179.772   6.6907  111.938   8.3248  118.153   11.892  105.964   11.658  184.382   9.3492  174.557   9.6874 9.824799 13.46305 
1 1 1    6    2   17 o  547.933   5.3557  1039.84   20.310  1043.40   28.676  1036.25   28.771  548.644   7.5517  546.755   7.6030 1.888611 10.71606 
1 1 1    6    2   19 o  242.712   6.6668  204.352   11.199  210.098   18.976  201.282   13.873  245.566   11.165  240.719   8.3268 4.846634 13.92829 
1 1 1    6    2   20 o  108.689   10.568   41.589   7.8491   38.570   11.172   44.533   11.030  103.447   16.130  111.676   14.622 -8.228798 21.77095 
1 1 1    6    2   21 o  106.415   10.557   39.978   7.6728   42.197   11.104   37.950   10.614  108.251   15.243  102.507   15.440 5.743721 21.69682 
1 1 1    6    4    0 o  918.524   7.7573  2919.88   49.315  2913.31   60.284  2933.17   85.741  917.471   9.4936  920.535   13.458 -3.064148 16.46929 
1 1 1    6    4    1 o  1889.91   14.707 12364.14  192.374 12255.08  233.414 12595.12  339.683  1881.42   17.925  1906.89   25.738 -25.46472 31.36476 
1 1 1    6    4    2 f  596.659   4.9539  1232.01   20.458  1259.86   29.403  1205.88   28.482  603.353   7.0411  590.288   6.9715 13.06531 9.908535 
1 1 1    6    4    3 o  757.892   5.8190  1987.85   30.523  1947.81   42.399  2030.93   43.978  750.201   8.1657  766.039   8.2949 -15.83820 11.63979 
1 1 1    6    4    4 o  1486.33   10.192  7646.38  104.850  7700.00  149.388  7594.32  147.197  1491.39   14.473  1481.13   14.359 10.26575 20.38733 
1 1 1    6    4    5 o  1272.49   10.260  5604.82   90.362  5619.51  157.197  5597.56  110.430  1273.86   17.830  1271.60   12.548 2.260376 21.80242 
1 1 1    6    4    6 o  925.074   6.8169  2961.92   43.645  2931.30   61.139  2993.73   62.326  920.205   9.5996  929.949   9.6835 -9.744629 13.63538 
1 1 1    6    4    7 o  428.591   5.0770  635.782   15.060  625.306   18.396  657.073   26.225  425.026   6.2535  435.635   8.6980 -10.60901 10.71268 
1 1 1    6    4    8 o  1467.47   10.126  7458.06  102.841  7490.20  146.113  7426.52  144.776  1470.05   14.361  1463.80   14.290 6.251343 20.25939 
1 1 1    6    4    9 o  281.125   4.3847  273.522   8.5313  283.254   12.080  263.838   12.050  286.069   6.1012  276.088   6.3063 9.980591 8.774627 
1 1 1    6    4   10 o  1742.19   11.864 10509.93  143.052 10552.14  203.186 10468.44  201.439  1745.16   16.822  1738.23   16.744 6.925537 23.73492 
1 1 1    6    4   11 o  441.513   4.7290  674.639   14.451  689.782   20.744  660.363   20.142  446.421   6.7139  436.798   6.6627 9.622894 9.458778 
1 1 1    6    4   12 o  1007.83   7.4197  3515.86   51.754  3580.21   74.576  3456.08   71.882  1016.88   10.596  999.102   10.395 17.77435 14.84392 
1 1 1    6    4   13 o  196.753   5.9978  133.995   8.1676  128.103   11.719  139.559   11.389  192.354   8.8030  200.777   8.1958 -8.423569 12.02766 
1 1 1    6    4   14 o  610.644   5.4976  1290.73   23.235  1288.24   32.953  1293.18   32.766  609.978   7.8055  611.148   7.7464 -1.170105 10.99698 
1 1 1    6    4   15 o  452.368   5.8476  708.461   18.308  712.147   22.366  700.976   31.873  453.497   7.1260  449.775   10.239 3.721771 12.47438 
1 1 1    6    4   16 o  247.962   6.3393  212.946   10.879  222.497   13.451  194.878   18.500  253.415   7.6691  237.003   11.278 16.41151 13.63889 
1 1 1    6    4   17 o  350.147   5.1063  424.601   12.375  410.445   17.224  439.703   17.790  344.127   7.2317  356.183   7.2166 -12.05542 10.21646 
1 1 1    6    4   18 o  258.921   5.6085  232.295   10.051  245.052   14.352  220.018   14.079  265.776   7.8023  251.813   8.0782 13.96339 11.23093 
1 1 1    6    4   19 o  132.028   10.227   61.026   9.2724   99.268   16.756   44.145   11.132  167.782   14.574  111.334   14.815 56.44775 20.78160 
1 1 1    6    4   20 o  148.833   8.0770   77.243   8.2889   76.743   11.960   77.707   11.499  147.715   11.797  148.753   11.252 -1.038681 16.30221 
1 1 1    6    4   21 o  117.592   11.419   48.885   9.1765   57.684   11.578   34.020   15.049  127.374   13.331   94.958   23.116 32.41618 26.68410 
1 1 1    6    6    0 o  1290.20   10.349  5761.43   92.417  5802.44  114.031  5682.93  157.762  1294.74   12.725  1281.19   17.791 13.54407 21.87380 
1 1 1    6    6    1 o  583.584   4.8961  1178.61   19.776  1187.05   28.117  1170.34   27.819  585.661   6.9366  581.524   6.9120 4.136658 9.792490 
1 1 1    6    6    2 f  547.693   4.7241  1038.09   17.908  1037.78   25.308  1038.41   25.342  547.602   6.6776  547.767   6.6845 -0.1647949 9.448456 
1 1 1    6    6    3 o  2255.56   15.081 17612.17  235.436 17597.50  332.587 17626.90  333.328  2254.21   21.317  2256.09   21.347 -1.880371 30.16837 
1 1 1    6    6    4 o  1537.49   10.519  8182.06  111.933  8176.48  158.167  8187.67  158.428  1536.81   14.870  1537.86   14.885 -1.051270 21.03979 
1 1 1    6    6    5 o  846.288   8.9778  2478.95   52.586  2501.46   74.500  2456.58   74.236  850.042   12.663  842.380   12.733 7.661438 17.95770 
1 1 1    6    6    6 o  673.431   6.3022  1569.65   29.374  1634.15   53.005  1541.06   35.289  687.010   11.147  667.246   7.6414 19.76471 13.51502 
1 1 1    6    6    7 o  589.168   5.0634  1201.44   20.647  1186.22   28.967  1217.17   29.437  585.369   7.1498  592.957   7.1729 -7.587280 10.12770 
1 1 1    6    6    8 o  1034.99   7.4966  3708.50   53.700  3732.98   76.434  3684.64   75.463  1038.18   10.637  1031.44   10.571 6.738647 14.99656 
1 1 1    6    6    9 o  294.002   5.0254  299.162   10.226  290.373   12.485  317.073   17.823  289.641   6.2282  302.638   8.5092 -12.99686 10.54497 
1 1 1    6    6   10 f  796.521   6.1948  2195.90   34.151  2219.36   48.775  2173.33   47.832  800.700   8.8015  792.356   8.7221 8.343445 12.39114 
1 1 1    6    6   11 o  834.509   6.4264  2410.34   37.117  2475.95   53.789  2350.70   51.283  845.719   9.1895  824.056   8.9917 21.66296 12.85681 
1 1 1    6    6   12 o  1005.17   7.4137  3497.32   51.577  3601.72   75.172  3404.46   70.896  1019.92   10.649  991.611   10.330 28.30634 14.83627 
1 1 1    6    6   13 o  597.174   6.2348  1234.40   25.769  1254.63   45.881  1225.08   31.145  601.890   11.014  594.879   7.5646 7.010437 13.36149 
1 1 1    6    6   14 o  929.426   7.0422  2990.63   45.300  3049.07   65.294  2936.38   62.901  938.257   10.055  920.770   9.8703 17.48724 14.08981 
1 1 1    6    6   15 o  792.451   6.3689  2174.29   34.931  2116.91   48.103  2238.31   50.809  781.732   8.8907  803.813   9.1329 -22.08032 12.74575 
1 1 1    6    6   16 o  125.077   10.268   54.619   8.8104   43.591   10.562   79.854   15.976  111.136   14.044  150.744   15.535 -39.60738 20.94262 
1 1 1    6    6   17 o  234.259   5.7841  190.098   9.3780  188.848   13.313  191.329   13.212  233.367   8.2427  234.902   8.1267 -1.535080 11.57521 
1 1 1    6    6   18 o  134.057   9.6888   62.755   8.9291   74.488   15.279   56.669   11.004  145.202   15.441  126.924   12.696 18.27882 19.99021 
1 1 1    6    6   19 o  196.540   6.4321  133.983   8.7495  135.542   12.433  132.453   12.315  197.454   9.0981  195.189   9.1157 2.264862 12.87910 
1 1 1    6    6   20 o   85.789   13.027   26.348   7.4916   26.430   10.913   26.275   10.303   84.663   19.081   84.578   18.144 0.8448029E-01 26.33027 
1 1 1    6    6   21 o   62.088   18.665   13.962   8.6707   4.4996   10.661   32.454   14.903   49.871   20.091   92.698   23.266 -42.82646 30.73982 
1 1 1    6    8    0 o  1778.71   13.892 10951.73  171.025 11087.80  300.190 10886.33  208.101  1789.21   24.241  1773.27   16.956 15.93958 29.58288 
1 1 1    6    8    1 o  2294.73   15.333 18228.98  243.527 18092.34  341.378 18370.57  347.501  2285.72   21.579  2303.22   21.799 -17.49194 30.67369 
1 1 1    6    8    2 o  768.740   5.8857  2045.17   31.315  1987.35   43.171  2109.38   45.492  757.775   8.2315  780.693   8.4194 -22.91779 11.77469 
1 1 1    6    8    3 o  1220.22   8.5445  5153.21   72.161  5184.15  102.666  5123.00  101.448  1223.80   12.121  1216.57   12.048 7.237671 17.09043 
1 1 1    6    8    4 o  801.597   7.0038  2223.83   38.857  2188.78   65.965  2242.45   48.085  795.182   11.986  804.927   8.6312 -9.744995 14.77017 
1 1 1    6    8    5 o  970.250   7.0616  3258.16   47.420  3242.18   66.752  3274.44   67.377  967.804   9.9655  972.607   10.009 -4.803101 14.12429 
1 1 1    6    8    6 o  545.246   4.8220  1028.91   18.197  1014.46   25.494  1043.92   25.981  541.373   6.8041  549.179   6.8354 -7.805237 9.644627 
1 1 1    6    8    7 f  471.547   5.3027  769.641   17.306  743.903   29.927  782.572   21.212  463.492   9.3293  475.467   6.4460 -11.97556 11.33963 
1 1 1    6    8    8 o  779.712   6.9768  2104.56   37.650  2139.93   46.966  2040.98   62.980  786.164   8.6317  767.596   11.855 18.56769 14.66435 
1 1 1    6    8    9 o  522.673   5.5452  945.530   20.060  971.707   34.941  932.660   24.500  529.779   9.5292  519.083   6.8195 10.69531 11.71799 
1 1 1    6    8   10 o  929.113   8.0188  2988.12   51.565  3037.28   63.989  2897.07   87.081  936.661   9.8707  914.615   13.757 22.04565 16.93145 
1 1 1    6    8   11 o  1064.57   8.9002  3923.08   65.577  4082.93  117.624  3851.00   78.992  1085.68   15.654  1054.66   10.822 31.02161 19.03015 
1 1 1    6    8   12 o  683.402   5.6957  1616.47   26.940  1648.15   38.839  1587.09   37.400  690.010   8.1327  677.112   7.9805 12.89844 11.39429 
1 1 1    6    8   13 o  430.055   4.8838  640.122   14.536  668.466   21.273  615.297   19.909  439.437   6.9946  421.602   6.8231 17.83481 9.771326 
1 1 1    6    8   14 o  407.136   5.7604  573.790   16.232  574.634   29.232  573.414   19.517  407.301   10.370  406.975   6.9291 0.3253784 12.47157 
1 1 1    6    8   15 o  314.906   5.1475  343.290   11.219  349.989   16.122  337.001   15.622  317.905   7.3272  311.954   7.2356 5.951630 10.29765 
1 1 1    6    8   16 o  484.658   5.1452  813.324   17.259  819.797   24.718  807.165   24.109  486.441   7.3419  482.688   7.2167 3.752777 10.29485 
1 1 1    6    8   17 o   34.164   15.486  -4.5740   7.9042   14.644   13.519 -14.5566   9.7432   67.883   23.553   31.588   15.191 36.29504 28.02719 
1 1 1    6    8   18 o  116.434   9.5503   47.408   7.6284   50.237   10.964   44.753   10.621  119.280   13.519  112.419   13.950 6.861069 19.42621 
1 1 1    6    8   19 o   44.309   16.819   4.9353   7.1092  -1.1030   9.9399   11.259   10.172   42.463   18.380   59.077   20.435 -16.61464 27.48480 
1 1 1    6    8   20 o   87.800   14.998   27.847   8.7864   4.2112   16.152   37.780   10.471   58.682   24.310  102.549   15.215 -43.86682 28.67850 
1 1 1    6    8   21 o  200.081   6.7863  139.161   9.3976  137.497   13.381  140.781   13.201  198.407   9.7443  200.809   9.4985 -2.401352 13.60784 
1 1 1    6   10    0 o  1083.15   15.441  4061.46  115.753  4061.46  115.753   0.0000   0.0000  1083.15   15.441  ?   ?  0.000000 15.44067 
1 1 1    6   10    1 o  1436.31   9.8915  7140.23   98.331  6869.16  133.346  7463.31  145.580  1408.69   13.677  1468.33   14.325 -59.63855 19.80573 
1 1 1    6   10    2 o  1905.96   12.849 12574.55  169.498 12535.35  238.913 12614.28  240.509  1902.74   18.142  1908.71   18.206 -5.978027 25.70188 
1 1 1    6   10    3 o  452.711   6.1689  709.283   19.329   0.0000   0.0000  709.283   19.329  ?   ?   452.711   6.1689 0.000000 6.168886 
1 1 1    6   10    4 o  933.954   6.8471  3018.85   44.260  2910.33   60.407  3144.65   65.036  916.969   9.5181  953.162   9.8584 -36.19305 13.70340 
1 1 1    6   10    5 o  510.483   4.6397  901.859   16.393  898.883   23.099  904.878   23.267  509.623   6.5489  511.319   6.5746 -1.696136 9.279790 
1 1 1    6   10    6 o  621.968   5.1828  1338.90   22.310  1310.12   31.072  1369.52   32.055  615.204   7.2974  628.994   7.3633 -13.78992 10.36677 
1 1 1    6   10    7 f  641.981   5.3183  1426.55   23.630  1468.56   34.160  1388.00   32.724  651.291   7.5781  633.178   7.4672 18.11249 10.63891 
1 1 1    6   10    8 o  293.075   4.3234  297.274   8.7696  293.731   12.593  300.609   12.219  291.304   6.2462  294.698   5.9909 -3.393890 8.654858 
1 1 1    6   10    9 o  493.180   4.7556  841.795   16.233  873.052   23.583  813.653   22.377  502.225   6.7846  484.841   6.6685 17.38394 9.513171 
1 1 1    6   10   10 o  655.166   5.5122  1485.60   24.995  1590.94   37.500  1401.40   33.529  677.951   7.9921  636.293   7.6135 41.65863 11.03809 
1 1 1    6   10   11 o  574.034   5.9878  1140.47   23.789  1134.84   28.945  1152.19   41.762  572.596   7.3037  576.892   10.460 -4.296570 12.75717 
1 1 1    6   10   12 o  872.796   6.6648  2636.76   40.260  2735.58   58.991  2550.60   55.082  888.894   9.5887  858.328   9.2721 30.56598 13.33853 
1 1 1    6   10   13 o  645.983   5.5728  1444.38   24.915  1478.41   35.976  1413.01   34.540  653.477   7.9543  638.865   7.8115 14.61237 11.14854 
1 1 1    6   10   14 o  285.879   5.8596  282.911   11.594  278.237   14.724  290.537   18.808  283.479   7.5046  289.634   9.3826 -6.155273 12.01466 
1 1 1    6   10   15 o  418.148   4.9943  605.284   14.454  631.367   21.068  582.091   19.866  426.984   7.1290  409.989   7.0012 16.99548 9.991939 
1 1 1    6   10   16 o  238.048   5.6953  196.241   9.3833  192.617   13.433  199.693   13.113  235.747   8.2329  240.053   7.8924 -4.306152 11.40486 
1 1 1    6   10   17 o  464.931   5.1242  748.662   16.489  756.720   23.526  740.883   23.117  467.228   7.2752  462.318   7.2245 4.909546 10.25291 
1 1 1    6   10   18 o   76.384   14.232   21.011   7.2471   25.249   10.391   16.997   10.113   83.207   18.520   68.796   20.026 14.41109 27.27680 
1 1 1    6   10   19 o   98.802   11.033   34.434   7.4160   47.978   10.528   21.096   10.448  116.416   13.306   75.830   19.721 40.58595 23.79019 
1 1 1    6   10   20 o  184.698   7.8059  118.600   9.9784  115.095   12.604  124.488   16.334  181.394   10.079  188.117   12.619 -6.723297 16.14979 
1 1 1    6   10   21 o   55.452   19.073   10.198   8.8555  -2.5990   17.043   14.931   10.365   53.972   23.701   64.660   20.576 -10.68869 31.38671 
1 1 1    6   12    0 o  1929.95   13.002 12893.18  173.669 12726.83  342.255 12950.87  201.543  1916.69   25.800  1934.18   15.055 -17.48413 29.87155 
1 1 1    6   12    1 o  1438.01   11.434  7157.54  113.803  6956.10  191.182  7268.09  141.627  1417.34   19.489  1448.99   14.122 -31.65259 24.06813 
1 1 1    6   12    2 o  3029.75   23.206 31795.94  486.609 31082.93  820.914 32182.19  604.201  2992.86   39.631  3047.33   28.647 -54.47241 48.90068 
1 1 1    6   12    3 o  1030.94   7.4194  3678.39   52.939  3589.65   73.081  3776.36   76.791  1018.37   10.369  1044.51   10.622 -26.14282 14.84388 
1 1 1    6   12    4 o  1235.12   8.6543  5280.14   73.980  5140.90  101.761  5436.22  107.743  1218.61   12.065  1253.11   12.423 -34.50000 17.31758 
1 1 1    6   12    5 o  406.625   4.2591  572.222   11.986  572.813   16.952  571.631   16.951  406.820   6.0205  406.400   6.0266 0.4201965 8.518577 
1 1 1    6   12    6 o  1410.55   9.7549  6889.52   95.233  6867.99  134.237  6911.34  135.126  1407.91   13.776  1412.34   13.824 -4.430420 19.51589 
1 1 1    6   12    7 o  1834.96   12.433 11666.01  157.901 11608.91  222.129 11724.34  224.500  1829.37   17.544  1838.42   17.644 -9.047852 24.88167 
1 1 1    6   12    8 o  290.985   4.2813  293.045   8.6223  320.318   12.813  270.475   11.656  304.208   6.0858  279.540   6.0247 24.66769 8.563518 
1 1 1    6   12    9 o  484.747   4.7106  813.245   15.804  836.113   22.842  792.245   21.889  491.489   6.7149  478.424   6.6106 13.06580 9.422892 
1 1 1    6   12   10 o  1432.47   11.451  7104.57  113.530  7248.78  200.157  7036.17  137.850  1446.18   19.997  1425.38   13.973 20.80103 24.39561 
1 1 1    6   12   11 o  383.195   4.6024  508.188   12.206  521.035   17.803  496.789   16.768  387.990   6.6296  378.858   6.3950 9.132507 9.211272 
1 1 1    6   12   12 o  292.379   4.8406  295.865   9.7954  302.609   14.134  289.632   13.587  295.673   6.9069  289.265   6.7868 6.407959 9.683256 
1 1 1    6   12   13 f  658.987   6.4658  1503.24   29.490  1551.77   37.308  1422.44   48.145  669.483   8.0517  640.857   10.855 28.62622 13.51491 
1 1 1    6   12   14 o  535.252   5.2102  991.696   19.302  1037.32   28.345  952.248   26.356  547.350   7.4824  524.433   7.2613 22.91687 10.42654 
1 1 1    6   12   15 o  365.772   4.9872  463.160   12.625  483.930   18.551  445.237   17.232  373.809   7.1702  358.562   6.9438 15.24652 9.981387 
1 1 1    6   12   16 o  215.607   6.5045  161.028   9.7063  174.585   16.611  153.999   11.960  224.310   10.700  210.787   8.1983 13.52318 13.47968 
1 1 1    6   12   17 o  345.760   5.0372  414.058   12.054  417.664   17.130  410.521   16.966  347.116   7.1303  344.136   7.1231 2.980621 10.07869 
1 1 1    6   12   18 o  192.519   7.5120  128.585   10.009  120.936   11.879  147.317   18.588  186.587   9.1983  205.117   13.163 -18.53030 16.05835 
1 1 1    6   12   19 f   75.374   15.767   20.676   7.9610   23.186   9.9362   16.176   13.304   79.508   18.418   69.294   23.384 10.21449 29.76654 
1 1 1    6   12   20 o  152.181   7.8851   80.747   8.2767   98.510   11.930   64.267   11.492  167.710   10.329  134.906   12.448 32.80333 16.17518 
1 1 1    6   12   21 o   77.688   14.269   21.957   7.3895   10.054   10.566   33.352   10.338   57.140   20.722   95.670   16.191 -38.53060 26.29723 
1 1 1    6   14    0 o  1173.02   8.2894  4762.23   67.299  4543.05   90.636  5031.57  100.471  1145.64   11.431  1205.65   12.040 -60.00879 16.60226 
1 1 1    6   14    1 f  2123.45   16.477 15611.64  242.161 16746.34  452.889 15157.33  286.568  2198.03   29.770  2092.10   19.791 105.9341 35.74839 
1 1 1    6   14    2 o  1938.42   15.092 13008.89  202.478 13229.27  357.399 12904.73  245.714  1953.86   26.429  1930.44   18.391 23.42700 32.19803 
1 1 1    6   14    3 o  2057.42   13.826 14654.89  196.871 14521.41  275.583 14794.01  281.342  2047.58   19.446  2066.69   19.669 -19.10840 27.65898 
1 1 1    6   14    4 o  487.894   6.4629  823.863   21.824   0.0000   0.0000  823.863   21.824  ?   ?   487.894   6.4629 0.000000 6.462861 
1 1 1    6   14    5 f  660.240   5.3643  1508.73   24.513  1492.35   34.366  1525.70   34.974  656.599   7.5624  663.893   7.6115 -7.294678 10.72962 
1 1 1    6   14    6 o  597.202   5.8059  1234.52   23.998  1229.88   29.604  1243.42   40.982  596.039   7.1762  599.208   9.8819 -3.168152 12.21273 
1 1 1    6   14    7 o  497.846   4.6808  857.841   16.128  882.450   23.274  835.103   22.371  504.896   6.6602  491.166   6.5808 13.72961 9.362976 
1 1 1    6   14    8 o  631.460   7.4473  1380.28   32.548   0.0000   0.0000  1380.28   32.548  ?   ?   631.460   7.4473 0.000000 7.447278 
1 1 1    6   14    9 o  1037.49   10.637  3726.75   76.382   0.0000   0.0000  3726.75   76.382  ?   ?   1037.49   10.637 0.000000 10.63727 
1 1 1    6   14   10 o  1030.24   8.6480  3674.10   61.664  3757.91   77.526  3529.76  101.741  1041.85   10.751  1009.54   14.561 32.30829 18.10029 
1 1 1    6   14   11 o  466.528   4.7984  753.260   15.494  792.715   22.818  719.509   21.105  478.565   6.8892  455.935   6.6880 22.62991 9.601565 
1 1 1    6   14   12 o  131.882   7.2394   60.388   6.5827   67.207   9.7240   54.620   8.9435  138.946   10.183  125.162   10.419 13.78373 14.56843 
1 1 1    6   14   13 o  379.014   4.8385  497.203   12.692  496.344   17.985  498.055   17.914  378.653   6.8627  379.306   6.8239 -0.6527100 9.677960 
1 1 1    6   14   14 o  409.257   4.9384  579.761   13.988  600.214   20.223  561.001   19.369  416.360   7.0179  402.531   6.9522 13.82840 9.878457 
1 1 1    6   14   15 o  246.800   6.3287  210.920   10.810  246.927   19.488  194.917   12.992  266.882   10.551  237.209   7.9137 29.67302 13.18877 
1 1 1    6   14   16 o  547.805   6.1514  1039.46   23.323  1069.76   42.651  1026.53   27.856  555.147   11.101  544.276   7.3948 10.87128 13.33812 
1 1 1    6   14   17 o  393.660   4.9963  536.741   13.613  533.857   19.198  539.658   19.305  392.432   7.0683  394.558   7.0695 -2.126312 9.996924 
1 1 1    6   14   18 o  249.712   5.5530  216.096   9.5972  216.407   13.600  215.788   13.545  249.710   7.8693  249.355   7.8483 0.3554382 11.11409 
1 1 1    6   14   19 o  272.310   6.3963  257.260   12.055  246.406   14.217  285.024   22.740  266.352   7.7123  285.826   11.495 -19.47427 13.84251 
1 1 1    6   14   20 o   63.137   20.602   13.864   10.347   13.864   10.347   0.0000   0.0000   63.137   20.602  ?   ?  0.000000 20.60170 
1 1 1    6   14   21 o   68.985   17.055   17.631   8.0970   23.532   13.094   13.977   10.303   79.227   22.708   62.962   20.559 16.26583 30.63228 
1 1 1    6   16    0 o  548.329   6.8497  1040.57   25.995   0.0000   0.0000  1040.57   25.995  ?   ?   548.329   6.8497 0.000000 6.849664 
1 1 1    6   16    1 o  2002.24   15.563 13880.44  215.665   0.0000   0.0000 13880.44  215.665  ?   ?   2002.24   15.563 0.000000 15.56273 
1 1 1    6   16    2 o  1442.96   14.107  7208.71  140.884  6951.22  191.544  7512.19  207.947  1416.65   19.536  1472.64   20.402 -55.99402 28.24706 
1 1 1    6   16    3 o  1490.19   10.246  7687.06  105.675  7494.88  145.412  7902.16  153.838  1471.23   14.280  1510.65   14.714 -39.41882 20.50430 
1 1 1    6   16    4 o  1113.23   7.9303  4289.74   61.101  4149.58   83.550  4450.89   89.586  1094.76   11.027  1133.79   11.416 -39.02942 15.87218 
1 1 1    6   16    5 o  251.115   7.3403  218.293   12.757   0.0000   0.0000  218.293   12.757  ?   ?   251.115   7.3403 0.000000 7.340261 
1 1 1    6   16    6 o  762.555   5.9337  2012.84   31.316  2039.50   44.775  1987.31   43.817  767.481   8.4292  757.601   8.3566 9.879761 11.86944 
1 1 1    6   16    7 o  1241.07   8.7365  5332.76   75.043  5489.56  109.334  5193.08  103.188  1258.86   12.549  1224.43   12.176 34.43030 17.48524 
1 1 1    6   16    8 o  937.937   7.9677  3045.30   51.723  3121.46   90.810  3008.73   62.928  949.295   13.822  932.215   9.7533 17.07941 16.91632 
1 1 1    6   16    9 o  1053.78   7.6273  3843.68   55.628  3961.03   81.089  3739.36   76.455  1069.61   10.954  1039.26   10.629 30.34436 15.26322 
1 1 1    6   16   10 o  627.510   6.2537  1362.87   27.160  1373.17   48.870  1358.26   32.671  629.773   11.212  626.427   7.5354 3.345093 13.50889 
1 1 1    6   16   11 o  889.392   7.7204  2738.11   47.523  2893.17   85.684  2669.22   57.113  913.971   13.545  878.074   9.3978 35.89667 16.48623 
1 1 1    6   16   12 o  1163.82   9.5895  4689.83   77.243  4796.50   97.085  4505.85  127.504  1176.80   11.920  1140.18   16.158 36.61975 20.07860 
1 1 1    6   16   13 o  349.987   5.8145  424.001   14.084  414.757   16.768  446.146   25.953  346.129   6.9996  358.903   10.448 -12.77335 12.57615 
1 1 1    6   16   14 o  574.206   5.3282  1141.35   21.175  1166.56   30.561  1118.08   29.367  580.417   7.6076  568.233   7.4671 12.18335 10.65991 
1 1 1    6   16   15 o  289.756   6.1586  290.738   12.351  301.663   14.971  267.463   21.851  295.109   7.3300  277.692   11.369 17.41644 13.52745 
1 1 1    6   16   16 o  286.561   5.2085  284.374   10.330  275.479   14.392  293.829   14.837  281.943   7.3752  291.182   7.3621 -9.239960 10.42082 
1 1 1    6   16   17 o  271.478   6.3525  255.418   11.936  211.073   21.362  275.548   14.392  245.946   12.591  281.901   7.3766 -35.95540 14.59312 
1 1 1    6   16   18 o  109.838   10.817   42.386   8.1163   37.839   10.130   50.537   13.564  103.044   14.613  118.871   16.968 -15.82722 22.39343 
1 1 1    6   16   19 o  237.503   5.7200  195.612   9.4025  194.383   13.233  196.865   13.362  236.508   8.0840  238.010   8.1117 -1.501678 11.45214 
1 1 1    6   16   20 o  117.967   13.968   49.590   11.183   51.073   14.371   47.312   17.805  118.639   18.073  112.425   23.633 6.213074 29.75180 
1 1 1    6   16   21 o  145.866   8.1317   74.397   8.1768   65.473   11.534   83.414   11.594  135.856   12.403  153.857   10.959 -18.00124 16.55118 
1 1 1    6   18    0 o  1112.61   9.1684  4284.77   70.601  4012.20  114.305  4452.90   89.772  1076.43   15.343  1134.16   11.436 -57.73218 19.13616 
1 1 1    6   18    1 o  1342.29   9.3349  6236.49   86.723  6054.36  118.861  6443.82  126.814  1322.40   12.987  1364.24   13.431 -41.84900 18.68257 
1 1 1    6   18    2 o  942.036   8.0446  3071.64   52.450  2816.10   83.699  3236.87   67.304  901.837   13.410  966.986   10.057 -65.14941 16.76159 
1 1 1    6   18    3 f  948.698   6.9697  3115.22   45.764  3022.93   89.590  3147.80   53.233  934.269   13.855  953.615   8.0655 -19.34583 16.03175 
1 1 1    6   18    4 o  888.497   7.6860  2732.79   47.264  2562.93   77.563  2833.12   59.611  860.168   13.028  904.577   9.5214 -44.40955 16.13687 
1 1 1    6   18    5 o  1159.33   8.2285  4653.50   66.024  4487.99   89.977  4846.59   97.183  1138.25   11.421  1182.81   11.871 -44.55444 16.47344 
1 1 1    6   18    6 o  755.738   5.9080  1976.96   30.902  1963.45   43.499  1990.73   43.908  753.055   8.3460  758.269   8.3665 -5.213318 11.81751 
1 1 1    6   18    7 o  449.790   4.4935  700.189   13.989  717.249   20.133  684.265   19.450  455.210   6.3902  444.621   6.3207 10.58875 8.988083 
1 1 1    6   18    8 o  682.526   5.5450  1612.30   26.194  1614.07   37.185  1610.56   36.903  682.852   7.8680  682.110   7.8169 0.7419434 11.09099 
1 1 1    6   18    9 o  794.183   6.1600  2182.99   33.860  2231.81   48.902  2138.03   46.928  802.954   8.7995  785.908   8.6275 17.04590 12.32337 
1 1 1    6   18   10 o  977.496   7.2077  3307.25   48.762  3413.26   71.162  3213.40   66.951  992.932   10.355  963.435   10.041 29.49689 14.42364 
1 1 1    6   18   11 o  768.943   8.6157  2046.89   45.853  2168.78   70.289  1956.58   60.498  791.331   12.834  751.677   11.629 39.65411 17.31847 
1 1 1    6   18   12 o  1023.96   7.5289  3629.69   53.357  3858.38   80.051  3446.87   71.575  1055.50   10.958  997.672   10.366 57.83240 15.08381 
1 1 1    6   18   13 o  499.561   5.0133  863.807   17.334  916.095   25.636  819.768   23.527  514.400   7.2006  486.611   6.9856 27.78906 10.03234 
1 1 1    6   18   14 o  215.562   12.558  161.658   18.654   0.0000   0.0000  161.658   18.654  ?   ?   215.562   12.558 0.000000 12.55772 
1 1 1    6   18   15 o  431.599   4.9582  644.932   14.811  653.310   21.276  637.055   20.631  434.286   7.0784  428.857   6.9506 5.429413 9.920403 
1 1 1    6   18   16 o  138.604   7.5582   66.785   7.2232   64.887   10.080   68.788   10.356  136.289   10.774  140.355   10.743 -4.065277 15.21433 
1 1 1    6   18   17 o  122.685   9.3589   52.563   7.8869   48.468   10.066   59.073   12.692  117.329   12.593  129.357   14.422 -12.02824 19.14629 
1 1 1    6   18   18 o  172.934   8.0695  103.835   9.6584  124.439   18.997   96.653   11.216  188.039   14.714  166.433   9.7801 21.60559 17.66782 
1 1 1    6   18   19 o  211.560   6.1079  155.274   8.9435  162.297   12.860  148.697   12.446  216.027   8.6014  206.767   8.6968 9.260147 12.23189 
1 1 1    6   18   20 o  194.634   6.5039  131.577   8.7613  135.274   12.514  128.022   12.271  196.993   9.1781  191.628   9.2520 5.364563 13.03217 
1 1 1    6   18   21 o   59.574   17.233   13.001   7.5095  -0.3294   10.514   26.886   10.730   44.008   18.976   84.879   18.764 -40.87189 26.68665 
1 1 1    6   20    0 f  1447.90   11.546  7258.32  115.702  7029.27  193.710  7385.36  144.263  1424.22   19.652  1460.33   14.273 -36.11353 24.28821 
1 1 1    6   20    1 o  503.702   5.4550  878.100   19.017  862.490   22.861  913.171   34.266  499.191   6.6169  513.599   9.6396 -14.40799 11.69207 
1 1 1    6   20    2 o  729.178   5.7623  1840.27   29.081  1773.51   39.801  1916.71   42.593  715.779   8.0342  744.109   8.2704 -28.33008 11.53029 
1 1 1    6   20    3 o  514.860   5.5606  917.495   19.815  899.512   34.247  926.545   24.294  509.696   9.7081  517.371   6.7846 -7.674316 11.84388 
1 1 1    6   20    4 o  776.708   6.0235  2088.22   32.380  1973.66   62.424  2130.39   37.874  754.812   11.949  784.476   6.9756 -29.66437 13.83629 
1 1 1    6   20    5 o  408.742   9.2739  578.537   26.235  578.537   26.235   0.0000   0.0000  408.742   9.2739  ?   ?  0.000000 9.273855 
1 1 1    6   20    6 o  304.981   4.1724  321.913   8.8072  322.712   12.634  321.159   12.284  305.341   5.9782  304.607   5.8268 0.7340393 8.348083 
1 1 1    6   20    7 o  1100.30   9.0795  4191.27   69.143  4315.12  122.541  4133.43   83.748  1115.97   15.865  1092.57   11.075 23.39868 19.34864 
1 1 1    6   20    8 o  739.481   8.2497  1892.88   42.222   0.0000   0.0000  1892.88   42.222  ?   ?   739.481   8.2497 0.000000 8.249701 
1 1 1    6   20    9 o  244.710   4.2959  207.243   7.2758  230.229   10.725  187.648   9.9028  257.915   6.0084  232.845   6.1449 25.07004 8.594207 
1 1 1    6   20   10 o  1128.67   8.1024  4409.62   63.293  4642.57   94.254  4218.30   85.418  1157.93   11.761  1103.78   11.181 54.14636 16.22774 
1 1 1    6   20   11 o  814.656   6.3359  2297.15   35.724  2441.19   53.403  2180.49   48.060  839.710   9.1889  793.623   8.7497 46.08728 12.68828 
1 1 1    6   20   12 o  1024.45   8.7348  3633.77   61.933  3754.63  112.583  3581.32   74.163  1040.73   15.630  1016.90   10.537 23.83087 18.85014 
1 1 1    6   20   13 o  109.381   9.1687   41.726   6.8770   28.254   11.565   49.096   8.5537   88.490   19.416  118.583   10.532 -30.09384 22.08854 
1 1 1    6   20   14 o  285.290   6.0998  281.802   12.044  293.376   14.566  256.780   21.416  291.060   7.2307  272.158   11.370 18.90207 13.47418 
1 1 1    6   20   15 o  285.470   6.0629  282.232   11.979  273.030   14.175  305.220   22.404  280.728   7.2957  296.608   10.914 -15.87997 13.12760 
1 1 1    6   20   16 f  131.522   7.9136   60.190   7.1701   60.153   10.322   60.224   9.9674  131.086   11.493  131.217   11.079 -0.1305237 15.96345 
1 1 1    6   20   17 o   81.548   12.236   23.658   6.6929   24.205   9.5650   23.133   9.3683   81.611   17.462   79.753   17.457 1.858505 24.69110 
1 1 1    6   20   18 o  144.042   10.569   72.611   10.463   0.0000   0.0000   72.611   10.463  ?   ?   144.042   10.569 0.000000 10.56900 
1 1 1    6   20   19 o  202.818   6.8461  142.818   9.6101  157.805   15.789  134.000   12.112  212.414   10.775  196.233   8.9179 16.18134 13.98693 
1 1 1    6   20   20 o  143.443   8.1194   71.855   8.0278   71.037   11.555   72.618   11.162  141.892   11.875  143.597   11.323 -1.704300 16.40767 
1 1 1    6   20   21 o   82.199   13.939   24.553   7.6467   16.622   10.174   34.851   11.593   67.145   20.226   97.083   17.914 -29.93768 27.01819 
1 1 1    6   22    0 o  752.079   5.9162  1957.75   30.795  1915.24   42.720  2003.74   44.433  743.800   8.2986  760.786   8.4384 -16.98621 11.83527 
1 1 1    6   22    1 f  1138.23   8.1172  4485.08   63.946  4326.72   87.090  4670.34   94.194  1117.76   11.257  1161.26   11.720 -43.50146 16.25065 
1 1 1    6   22    2 o  762.052   5.9624  2010.09   31.447  1913.67   42.533  2126.35   46.706  743.472   8.2658  783.683   8.6110 -40.21057 11.93618 
1 1 1    6   22    3 o  619.520   7.4301  1328.72   31.859  1285.85   44.417  1374.15   45.722  609.319   10.532  629.894   10.488 -20.57428 14.86342 
1 1 1    6   22    4 o  269.358   4.2949  251.111   8.0068  243.902   17.033  253.156   9.0717  265.394   9.2729  270.447   4.8465 -5.052521 10.46304 
1 1 1    6   22    5 o  479.329   5.4402  795.241   18.048  753.171   31.315  816.166   22.085  466.378   9.7014  485.572   6.5714 -19.19391 11.71754 
1 1 1    6   22    6 o  351.124   5.9752  426.728   14.521   0.0000   0.0000  426.728   14.521  ?   ?   351.124   5.9752 0.000000 5.975170 
1 1 1    6   22    7 o  1406.45   11.307  6849.21  110.069  6926.83  193.786  6812.24  133.736  1413.56   19.808  1402.45   13.778 11.11072 24.12813 
1 1 1    6   22    8 o  531.202   5.7361  976.611   21.089  973.602   25.327  983.415   38.083  530.368   6.8997  532.973   10.324 -2.605347 12.41727 
1 1 1    6   22    9 o  621.386   5.3023  1336.34   22.803  1420.93   33.934  1266.69   30.792  640.714   7.6524  604.946   7.3544 35.76788 10.61346 
1 1 1    6   22   10 o  1380.54   11.117  6599.15  106.221  6856.86  135.624  6190.24  170.837  1407.01   13.927  1336.43   18.470 70.58813 23.13213 
1 1 1    6   22   11 o  1092.16   7.9074  4129.33   59.772  4360.96   89.215  3940.66   80.514  1122.15   11.487  1066.74   10.905 55.40369 15.83917 
1 1 1    6   22   12 o  912.740   7.9059  2884.34   49.943  2933.07   62.734  2800.00   82.531  920.297   9.8491  898.910   13.265 21.38684 16.52201 
1 1 1    6   22   13 o  694.601   6.7642  1670.40   32.518  1702.44   59.669  1656.87   38.784  700.851   12.301  691.711   8.1012 9.140259 14.72916 
1 1 1    6   22   14 o  599.614   5.3745  1244.76   22.304  1312.67   33.012  1187.73   30.253  615.602   7.7482  585.595   7.4645 30.00732 10.75881 
1 1 1    6   22   15 o  353.537   4.7920  432.763   11.726  439.447   17.003  426.701   16.192  356.155   6.8977  350.964   6.6658 5.190277 9.592278 
1 1 1    6   22   16 o  102.898   13.741   37.505   9.5414   37.505   9.5414   0.0000   0.0000  102.898   13.741  ?   ?  0.000000 13.74095 
1 1 1    6   22   17 o  305.506   5.0151  323.339   10.604  313.117   15.005  333.537   14.988  300.464   7.2156  310.129   6.9826 -9.665009 10.04104 
1 1 1    6   22   18 o  102.693   11.032   37.160   7.7182   27.166   12.927   42.697   9.6214   85.826   21.738  109.828   12.903 -24.00196 25.27920 
1 1 1    6   22   19 o   29.545   13.667  -5.3744   6.5912   0.2379   10.113  -9.5193   8.6906   44.118   18.808   31.992   15.086 12.12683 24.11110 
1 1 1    6   22   20 o   47.625   16.876   7.0852   6.9643   11.517   10.483   3.5835   9.3180   59.343   20.732   46.292   18.736 13.05110 27.94366 
1 1 1    6   24    1 o  523.402   5.6208  948.244   20.362  947.805   35.309  948.462   24.923  523.158   9.7517  523.432   6.8796 -0.2738647 11.93416 
1 1 1    6   24    2 o  904.998   7.7859  2835.59   48.768  2794.62   59.057  2923.42   86.468  898.336   9.4985  918.471   13.602 -20.13531 16.59051 
1 1 1    6   24    3 f  860.819   6.5137  2565.12   38.808  2514.67   53.872  2619.54   55.951  852.181   9.1339  869.760   9.2947 -17.57965 13.03144 
1 1 1    6   24    4 o  420.175   5.3216  611.066   15.476  627.805   28.138  603.807   18.530  425.802   9.5478  417.654   6.4104 8.148651 11.50016 
1 1 1    6   24    5 o  912.589   7.8061  2882.99   49.305   0.0000   0.0000  2882.99   49.305  ?   ?   912.589   7.8061 0.000000 7.806123 
1 1 1    6   24    6 o  355.154   5.1156  436.549   12.574  424.488   23.635  441.311   14.851  350.157   9.7525  357.077   6.0090 -6.920410 11.45516 
1 1 1    6   24    7 o  936.754   8.0853  3037.47   52.420  2929.76   89.028  3094.63   64.854  919.753   13.986  945.465   9.9109 -25.71136 17.14124 
1 1 1    6   24    8 o  536.368   7.3544  995.774   27.302  981.463   38.504  1010.24   38.718  532.445   10.448  540.197   10.356 -7.752197 14.71092 
1 1 1    6   24    9 o  1823.94   24.963 11541.46  315.122 11541.46  315.122   0.0000   0.0000  1823.94   24.963  ?   ?  0.000000 24.96267 
1 1 1    6   24   10 o  224.825   8.7700  174.986   13.647  175.171   20.120  174.829   18.571  224.516   13.004  224.366   12.003 0.1497955 17.69647 
1 1 1    6   24   11 o  441.197   6.4928  673.799   19.826   0.0000   0.0000  673.799   19.826  ?   ?   441.197   6.4928 0.000000 6.492800 
1 1 1    6   24   12 o  677.318   5.6944  1588.00   26.694  1786.81   41.697  1449.93   34.749  718.354   8.3866  647.129   7.7584 71.22479 11.42490 
1 1 1    6   24   13 o  541.629   10.865  1016.59   40.730   0.0000   0.0000  1016.59   40.730  ?   ?   541.629   10.865 0.000000 10.86513 
1 1 1    6   24   14 o  291.966   5.7357  295.166   11.590  314.439   24.954  289.865   13.088  301.052   11.976  289.307   6.5363 11.74503 13.64381 
1 1 1    6   24   15 o  572.163   5.9820  1133.93   23.689  1167.78   30.330  1080.98   37.932  580.484   7.5494  558.210   9.8181 22.27332 12.38500 
1 1 1    6   24   16 o  470.791   4.9439  767.667   16.109  770.230   22.966  765.184   22.603  471.370   7.0396  469.833   6.9508 1.536407 9.892898 
1 1 1    6   24   17 o  216.912   6.7339  163.163   10.109  168.051   11.980  151.073   18.841  220.053   7.8660  207.702   13.175 12.35150 15.34443 
1 1 1    6   24   18 o  244.908   5.4103  207.930   9.1706  217.897   13.213  198.667   12.739  250.492   7.6213  239.176   7.6953 11.31647 10.83056 
1 1 1    6   24   19 o  117.086   8.6867   47.977   6.9892   43.834   10.440   51.342   9.4086  110.888   13.910  120.676   11.400 -9.788361 17.98432 
1 1 1    6   24   20 o   87.794   12.116   27.555   7.1661   31.359   10.418   24.138   9.8729   92.538   16.888   80.681   18.123 11.85700 24.77226 
1 1 1    6   26    0 o  882.950   6.6668  2698.74   40.741  2635.95   56.253  2768.02   59.083  872.481   9.3156  894.057   9.5482 -21.57550 13.33975 
1 1 1    6   26    1 o  861.951   7.5319  2572.12   44.933  2568.17   55.050  2580.00   77.771  861.200   9.2359  862.917   13.022 -1.717651 15.96468 
1 1 1    6   26    2 o  972.083   10.112  3272.35   68.034  3272.35   68.034   0.0000   0.0000  972.083   10.112  ?   ?  0.000000 10.11223 
1 1 1    6   26    3 o  179.822   5.0453  111.919   6.2792  131.236   9.2107   95.146   8.5828  194.711   6.8348  165.785   7.4801 28.92548 10.13245 
1 1 1    6   26    4 o  561.391   7.3306  1090.95   28.483  1070.73   39.789  1112.19   40.791  556.085   10.338  566.748   10.399 -10.66284 14.66365 
1 1 1    6   26    5 o  853.471   6.4877  2521.22   38.323  2643.90   81.487  2486.38   43.424  873.700   13.476  847.528   7.4029 26.17169 15.37519 
1 1 1    6   26    6 o  870.121   6.5811  2620.50   39.633  2591.71   80.337  2629.76   45.563  865.083   13.418  871.633   7.5527 -6.549805 15.39745 
1 1 1    6   26    7 o  1012.41   7.3992  3547.71   51.846  3551.22  105.509  3546.59   59.529  1012.58   15.055  1012.22   8.4973 0.3663940 17.28756 
1 1 1    6   26    8 o  1644.46   16.066  9367.41  182.850  8892.68  243.991  9975.61  276.167  1601.55   22.012  1696.05   23.527 -94.49268 32.21823 
1 1 1    6   26    9 o  754.581   8.7826  1971.09   45.868  1994.15   65.772  1949.27   63.997  758.846   12.523  750.266   12.324 8.579285 17.57044 
1 1 1    6   26   10 o  1333.45   13.358  6159.39  123.278  6224.39  176.558  6097.56  172.207  1339.78   19.040  1326.09   18.763 13.68079 26.73173 
1 1 1    6   26   11 o  708.825   12.003  1740.49   58.885   0.0000   0.0000  1740.49   58.885  ?   ?   708.825   12.003 0.000000 12.00306 
1 1 1    6   26   12 o  640.026   5.4665  1417.96   24.215  1451.09   35.118  1387.93   33.434  647.367   7.8380  633.129   7.6300 14.23767 10.93853 
1 1 1    6   26   13 o  120.631   6.4323   50.529   5.3510   60.885   8.2558   43.027   7.0268  132.258   9.0739  111.061   9.2250 21.19746 12.93972 
1 1 1    6   26   14 o  230.379   6.5614  183.828   10.462   0.0000   0.0000  183.828   10.462  ?   ?   230.379   6.5614 0.000000 6.561429 
1 1 1    6   26   15 o  294.118   5.6683  299.630   11.539  275.415   23.658  307.188   13.217  281.526   12.142  297.767   6.4134 -16.24075 13.73141 
1 1 1    6   26   16 o  403.048   4.7705  562.645   13.308  592.439   19.525  536.798   18.186  413.396   6.8241  393.520   6.6771 19.87659 9.547380 
1 1 1    6   26   17 o  257.074   5.5527  229.046   9.8795  217.902   16.407  235.386   12.375  250.379   9.4678  260.502   6.8634 -10.12357 11.69386 
1 1 1    6   26   18 o  202.992   7.1400  143.061   10.031  138.008   11.664  157.415   19.660  199.244   8.4581  211.633   13.492 -12.38919 15.92432 
1 1 1    6   26   19 f   98.428   9.9495   34.135   6.6848   32.559   9.6760   35.574   9.2462   94.975   15.235   99.721   13.764 -4.746483 20.53164 
1 1 1    6   26   20 o  203.685   6.6971  144.266   9.4411  135.767   12.004  158.049   15.287  197.250   8.7929  212.473   10.395 -15.22246 13.61540 
1 1 1    6   28    0 o  183.759   5.4919  116.875   6.9847  110.014   9.4065  125.306   10.428  178.269   7.6239  190.253   7.9194 -11.98405 10.99271 
1 1 1    6   28    2 o  817.120   7.3080  2311.25   41.330  2298.05   71.500  2317.87   50.648  814.543   12.683  818.229   8.9436 -3.686890 15.51906 
1 1 1    6   28    3 o  1181.84   8.4042  4835.30   68.744  4706.10   94.549  4980.19  100.128  1165.75   11.719  1199.19   12.064 -33.44299 16.81852 
1 1 1    6   28    4 o  1009.86   8.4873  3530.30   59.321  3388.78   97.970  3612.22   74.538  989.107   14.311  1021.41   10.544 -32.30737 17.77584 
1 1 1    6   28    5 o  860.541   7.5965  2563.26   45.244  2578.54   79.769  2556.02   54.935  862.885   13.357  859.275   9.2373 3.610535 16.23989 
1 1 1    6   28    6 o  507.812   4.8256  892.464   16.960  856.585   35.129  903.369   19.367  497.424   10.204  510.898   5.4771 -13.47464 11.58089 
1 1 1    6   28    7 o  754.846   6.9781  1972.16   36.456  1896.10   62.616  2011.17   44.840  740.007   12.226  762.242   8.4996 -22.23419 14.88987 
1 1 1    6   28    8 o  635.130   6.3821  1396.19   28.055  1436.10   51.233  1379.10   33.528  644.022   11.494  631.208   7.6747 12.81494 13.82079 
1 1 1    6   28    9 o  612.084   7.9110  1296.90   33.513  1353.66   49.209  1247.81   45.767  625.230   11.372  600.298   11.016 24.93146 15.83241 
1 1 1    6   28   10 o  1393.70   13.889  6730.02  133.970  6843.90  193.133  6624.39  185.994  1404.56   19.867  1381.92   19.446 22.63672 27.80065 
1 1 1    6   28   11 o  643.548   8.2058  1433.97   36.549  1515.61   54.406  1366.83   49.341  661.420   11.885  628.148   11.349 33.27173 16.43333 
1 1 1    6   28   12 o  259.533   8.6348  233.279   15.510  244.927   22.874  223.366   21.103  265.820   12.433  253.865   12.011 11.95566 17.28683 
1 1 1    6   28   13 o  548.718   7.7461  1042.93   29.418  1065.85   42.301  1021.46   40.938  554.447   11.023  542.791   10.897 11.65662 15.50049 
1 1 1    6   28   14 o  344.331   5.2013  410.552   12.396  410.552   12.396   0.0000   0.0000  344.331   5.2013  ?   ?  0.000000 5.201314 
1 1 1    6   28   15 f  328.139   4.6219  372.865   10.497  381.021   15.412  365.808   14.336  331.586   6.7154  324.922   6.3748 6.664276 9.259333 
1 1 1    6   28   16 o  186.343   7.1254  120.414   9.1897   0.0000   0.0000  120.414   9.1897  ?   ?   186.343   7.1254 0.000000 7.125433 
1 1 1    6   28   17 o  242.236   5.0424  203.335   8.4538  205.135   12.625  201.871   11.382  243.107   7.5036  241.228   6.8173 1.878754 10.13803 
1 1 1    6   28   18 o  193.817   5.8158  130.297   7.8015  131.477   11.544  129.305   10.584  194.429   8.5786  192.886   7.9284 1.542419 11.68125 
1 1 1    6   28   19 o  116.818   10.683   48.081   8.5416   47.043   9.7024   51.659   18.008  115.191   12.363  117.710   22.929 -2.519005 26.04965 
1 1 1    6   28   20 o  178.750   6.4766  111.110   8.0126  104.069   11.060  118.886   11.624  172.306   9.3089  184.463   9.1046 -12.15785 13.02114 
1 1 1    6   30    0 o  188.463   6.3305  122.937   8.2574  114.537   9.8406  142.927   15.180  181.901   7.8164  202.880   10.850 -20.97946 13.37256 
1 1 1    6   30    1 o  940.772   7.0212  3063.50   45.716  2939.07   62.071  3211.03   67.586  921.368   9.7337  963.034   10.140 -41.66638 14.05578 
1 1 1    6   30    2 o  211.119   5.1568  154.260   7.5350  138.679   10.367  171.706   10.970  200.159   7.4837  222.725   7.1166 -22.56525 10.32725 
1 1 1    6   30    3 f  354.841   5.1569  435.777   12.665  377.610   20.052  474.379   16.335  330.275   8.7723  370.212   6.3753 -39.93738 10.84426 
1 1 1    6   30    4 o  246.150   4.6543  209.694   7.9293  207.892   11.021  211.628   11.417  245.080   6.4971  247.271   6.6714 -2.190948 9.312328 
1 1 1    6   30    5 o  1290.42   9.0707  5764.27   81.012  5716.48  113.544  5813.82  115.620  1284.87   12.768  1295.75   12.892 -10.88538 18.14498 
1 1 1    6   30    6 o  1718.71   11.729 10227.58  139.521  9956.10  272.194 10324.33  162.490  1694.50   23.209  1726.67   13.597 -32.17249 26.89877 
1 1 1    6   30    7 o  961.648   8.1931  3201.06   54.530  3054.15   92.877  3278.34   67.364  939.068   14.290  973.124   10.002 -34.05560 17.44251 
1 1 1    6   30    8 o  470.752   5.6068  766.998   18.268  783.903   34.751  760.543   21.474  475.823   10.552  468.753   6.6189 7.069580 12.45641 
1 1 1    6   30    9 o  360.508   7.5193  449.902   18.762  448.439   27.256  451.220   25.864  359.857   10.944  360.983   10.352 -1.126892 15.06419 
1 1 1    6   30   10 o  325.836   7.8611  367.566   17.728  373.171   26.498  363.024   23.852  328.225   11.665  323.758   10.645 4.466888 15.79155 
1 1 1    6   30   11 o  156.092   12.115   84.935   12.986  103.171   19.056   69.122   17.744  171.702   16.227  139.864   18.807 31.83826 24.84027 
1 1 1    6   30   12 o  256.939   8.5375  228.667   15.182  255.073   22.622  207.024   20.480  271.247   12.050  244.365   12.109 26.88173 17.08301 
1 1 1    6   30   13 o  487.126   10.777  822.927   36.335  822.927   36.335   0.0000   0.0000  487.126   10.777  ?   ?  0.000000 10.77731 
1 1 1    6   30   14 o  296.542   8.2269  304.842   16.885  315.268   25.001  296.098   22.896  301.276   11.990  292.030   11.328 9.245728 16.49484 
1 1 1    6   30   15 o  197.773   5.5907  135.502   7.6525  139.485   8.4141  116.439   18.408  200.640   6.0592  182.175   14.725 18.46432 15.92303 
1 1 1    6   30   16 o  174.915   5.9832  106.045   7.2434  114.670   7.9768   65.512   17.293  181.871   6.3371  135.252   18.997 46.61859 20.02626 
1 1 1    6   30   17 o   71.756   18.072   18.849   8.9703   28.004   10.837  -1.0746   15.987   87.521   18.471   54.088   23.361 33.43248 29.78142 
1 1 1    6   30   18 o  145.488   7.8137   73.786   7.8392   68.831   8.5868   98.585   19.209  140.350   8.8856  166.241   16.931 -25.89168 19.12106 
1 1 1    6   30   19 o  142.029   8.7440   70.568   8.5536   70.568   8.5536   0.0000   0.0000  142.029   8.7440  ?   ?  0.000000 8.744011 
1 1 1    6   32    0 o  545.548   5.8611  1030.09   22.131  1030.25   27.026  1029.76   38.555  545.572   7.1575  545.381   10.214 0.1914673 12.47223 
1 1 1    6   32    1 o  883.865   6.7181  2703.95   41.097  2601.22   56.050  2823.40   60.438  866.837   9.3424  903.086   9.6694 -36.24908 13.44541 
1 1 1    6   32    2 o  1346.72   10.868  6279.21  101.297  6146.34  170.936  6351.13  125.757  1331.79   18.545  1354.24   13.417 -22.44751 22.88938 
1 1 1    6   32    3 o  818.750   7.3654  2320.27   41.737  2261.46   71.451  2350.73   51.422  808.140   12.775  824.064   9.0160 -15.92450 15.63574 
1 1 1    6   32    4 o  1516.31   10.466  7959.70  109.836  7867.05  153.332  8057.34  157.412  1507.16   14.699  1525.27   14.911 -18.10132 20.93837 
1 1 1    6   32    5 o  1060.26   7.7022  3891.01   56.520  3761.48   77.218  4040.50   82.952  1042.35   10.704  1080.31   11.094 -37.95190 15.41594 
1 1 1    6   32    6 o  340.475   6.6251  401.227   15.612  334.976   22.805  459.659   21.417  311.056   10.593  364.404   8.4918 -53.34818 13.57650 
1 1 1    6   32    7 o  1519.42   10.496  7993.07  110.382  7873.17  218.745  8034.04  127.854  1506.88   20.974  1523.18   12.128 -16.30347 24.22801 
1 1 1    6   32    8 o  419.839   4.5758  610.044   13.296  603.903   30.669  611.465   14.755  417.618   10.611  420.322   5.0720 -2.703949 11.76068 
1 1 1    6   32    9 o  1015.86   15.219  3576.58  107.003   0.0000   0.0000  3576.58  107.003  ?   ?   1015.86   15.219 0.000000 15.21889 
1 1 1    6   32   10 o  389.074   7.6169  524.099   20.511  491.707   28.774  557.561   29.246  376.763   11.035  401.218   10.532 -24.45453 15.25390 
1 1 1    6   32   11 o  671.362   8.3940  1560.92   39.003  1606.34   56.478  1519.51   53.928  680.799   11.986  662.161   11.767 18.63745 16.79699 
1 1 1    6   32   12 o  380.350   7.6297  501.064   20.085  487.463   28.684  514.146   28.133  374.972   11.053  385.129   10.554 -10.15714 15.28238 
1 1 1    6   32   13 o  491.344   7.6826  836.506   26.126  852.683   37.963  821.951   36.009  495.734   11.065  486.762   10.689 8.972626 15.38408 
1 1 1    6   32   14 o  390.104   7.6169  527.514   20.565  520.976   29.546  533.659   28.643  387.325   11.022  392.068   10.555 -4.742981 15.26083 
1 1 1    6   32   15 o   96.064   24.594   33.893   16.421   0.0000   0.0000   33.893   16.421  ?   ?    96.064   24.594 0.000000 24.59350 
1 1 1    6   32   16 o  269.186   4.6360  251.019   8.6372  254.292   9.4492  234.390   21.296  270.910   5.0396  259.368   11.863 11.54214 12.88922 
1 1 1    6   32   17 o   92.789   9.4346   30.264   5.9747   27.074   6.3486   54.976   17.670   87.502   10.706  122.614   21.612 -35.11246 24.11858 
1 1 1    6   32   18 o  226.949   6.1054  178.763   9.5900  178.763   9.5900   0.0000   0.0000  226.949   6.1054  ?   ?  0.000000 6.105365 
1 1 1    6   32   19 o  108.592   9.6933   41.514   7.2087   42.023   7.8061   38.566   18.790  109.108   10.465  100.217   26.634 8.891563 28.61622 
1 1 1    6   34    0 o  572.985   5.2331  1136.26   20.753  1109.76   28.788  1164.93   29.945  566.236   7.3457  580.140   7.4579 -13.90430 10.46798 
1 1 1    6   34    1 o  1060.22   7.7337  3890.76   56.750  3842.69   79.264  3941.32   81.286  1053.54   10.871  1066.97   11.007 -13.42859 15.47037 
1 1 1    6   34    2 o  461.858   5.5653  738.267   17.790  730.375   21.659  754.634   31.190  459.370   6.8122  466.897   9.6520 -7.527008 11.81384 
1 1 1    6   34    3 o  1260.70   8.9118  5501.65   77.760  5317.85  106.137  5714.61  114.247  1239.30   12.374  1284.67   12.849 -45.37195 17.83885 
1 1 1    6   34    4 o  372.718   5.5760  480.793   14.384  490.732   26.696  476.727   17.074  376.500   10.245  371.130   6.6473 5.369812 12.21229 
1 1 1    6   34    5 o  472.144   4.8349  771.498   15.799  768.911   22.117  774.194   22.578  471.331   6.7799  472.946   6.8974 -1.614990 9.671683 
1 1 1    6   34    6 o  946.308   7.0637  3099.61   46.264  2992.87   63.251  3222.42   67.843  929.776   9.8291  964.760   10.160 -34.98401 14.13662 
1 1 1    6   34    7 o  1011.68   7.4471  3542.89   52.144  3506.83  105.336  3554.59   60.014  1006.07   15.128  1013.30   8.5572 -7.233154 17.38021 
1 1 1    6   34    8 o  505.627   5.5120  884.888   19.289   0.0000   0.0000  884.888   19.289  ?   ?   505.627   5.5120 0.000000 5.512025 
1 1 1    6   34    9 o  1132.96   11.726  4446.46   91.951  4460.00  130.640  4433.17  129.444  1134.10   16.644  1130.70   16.541 3.402100 23.46512 
1 1 1    6   34   10 o  769.212   9.0376  2049.12   48.114  2107.32   69.852  1996.58   66.370  779.748   12.943  759.013   12.634 20.73523 18.08732 
1 1 1    6   34   11 o  587.906   7.9335  1197.04   32.281  1210.24   46.148  1184.39   45.173  590.899   11.284  584.564   11.165 6.335754 15.87427 
1 1 1    6   34   12 o  434.766   7.6753  654.816   23.096  677.073   33.283  634.146   32.074  441.855   10.883  427.623   10.837 14.23242 15.35891 
1 1 1    6   34   13 f   85.448   20.299   26.539   11.827   13.659   17.305   37.829   16.201   70.894   26.381  101.871   23.462 -30.97748 35.30517 
1 1 1    6   34   14 o  249.845   11.704  216.976   20.238   0.0000   0.0000  216.976   20.238  ?   ?   249.845   11.704 0.000000 11.70386 
1 1 1    6   34   15 o  203.255   9.8840  143.547   13.904  147.902   20.599  139.902   18.845  205.323   14.591  199.826   13.709 5.496521 20.02050 
1 1 1    6   34   16 o  115.343   20.253   48.332   15.578   0.0000   0.0000   48.332   15.578  ?   ?   115.343   20.253 0.000000 20.25282 
1 1 1    6   34   17 o  111.794   16.669   44.964   12.504   46.527   17.251   43.234   18.148  112.083   23.009  107.535   24.878 4.547966 33.88734 
1 1 1    6   34   18 o  140.789   6.4437   68.835   6.2789   71.697   6.6694   46.527   18.622  143.664   6.7075  111.081   24.844 32.58330 25.73359 
1 1 1    6   34   19 o  150.311   6.9867   78.609   7.2684   81.835   7.7938   57.073   20.138  153.321   7.3447  122.529   24.601 30.79142 25.67406 
1 1 1    6   36    0 o  915.040   6.9301  2898.02   43.889  2809.23   60.232  2998.54   64.085  900.839   9.6606  930.689   9.9489 -29.84991 13.86744 
1 1 1    6   36    1 o  1526.41   14.915  8069.36  157.571  7843.90  215.802  8326.83  230.614  1504.38   20.726  1549.90   21.498 -45.52759 29.86226 
1 1 1    6   36    2 o  1130.00   8.1581  4419.85   63.803  4199.98   85.588  4694.86   95.723  1101.41   11.228  1164.46   11.877 -63.05066 16.34393 
1 1 1    6   36    3 o  411.424   4.8350  585.820   13.768  564.723   19.093  608.677   19.872  403.930   6.8294  419.355   6.8468 -15.42480 9.670535 
1 1 1    6   36    4 o  1287.04   9.0866  5734.23   80.941  5558.29  110.729  5936.13  118.614  1266.95   12.628  1309.27   13.090 -42.32300 18.18793 
1 1 1    6   36    5 o  1171.80   8.3903  4753.21   68.046  4712.34   95.232  4795.84   97.264  1166.57   11.795  1176.85   11.941 -10.28088 16.78442 
1 1 1    6   36    6 o  751.763   6.0450  1956.10   31.452  1934.81   43.993  1978.36   44.984  747.592   8.5024  755.956   8.5978 -8.364319 12.09187 
1 1 1    6   36    7 o  819.221   13.189  2324.88   74.782  2324.88   74.782   0.0000   0.0000  819.221   13.189  ?   ?  0.000000 13.18926 
1 1 1    6   36    8 o  567.675   5.1824  1115.40   20.361  1118.05   43.771  1114.66   23.001  568.156   11.131  567.474   5.8564 0.6818237 12.57779 
1 1 1    6   36    9 o  1043.69   8.9588  3772.12   64.714  3765.37  112.249  3775.48   79.200  1042.03   15.564  1043.97   10.961 -1.943115 19.03666 
1 1 1    6   36   10 o  323.163   7.9266  361.654   17.729  345.902   25.089  377.366   25.057  315.927   11.474  330.003   10.971 -14.07639 15.87471 
1 1 1    6   36   11 o  127.429   20.118   57.902   17.155   57.902   17.155   0.0000   0.0000  127.429   20.118  ?   ?  0.000000 20.11849 
1 1 1    6   36   12 o  408.056   7.4639  576.905   21.080  554.634   29.544  600.000   30.085  399.852   10.676  415.905   10.452 -16.05252 14.94003 
1 1 1    6   36   13 o  120.908   14.265   51.573   11.708   46.639   16.744   56.293   16.377  113.430   22.123  125.439   19.496 -12.00925 29.48766 
1 1 1    6   36   14 o  212.325   9.3806  156.506   13.785  137.122   20.044  173.902   18.989  197.743   14.752  223.220   12.339 -25.47722 19.23175 
1 1 1    6   36   15 o   53.075   20.941   5.7164   11.345   1.3615   16.699   9.4488   15.460   57.491   24.325   63.520   24.624 -6.029499 34.61313 
1 1 1    6   36   16 o  162.163   16.218   93.268   17.958   93.268   17.958   0.0000   0.0000  162.163   16.218  ?   ?  0.000000 16.21770 
1 1 1    6   36   17 o  126.841   20.451   58.683   17.343   58.683   17.343   0.0000   0.0000  126.841   20.451  ?   ?  0.000000 20.45132 
1 1 1    6   36   18 o  140.650   13.821   70.295   13.280   42.941   18.464   99.610   19.114  106.281   25.440  166.728   16.793 -60.44666 30.48254 
1 1 1    6   38    0 o  349.717   5.6810  423.287   13.751  425.707   23.107  421.961   17.110  350.676   9.5206  349.156   7.0802 1.519196 11.86471 
1 1 1    6   38    1 o  884.406   6.7755  2707.25   41.473  2611.48   56.744  2817.09   60.767  868.548   9.4395  902.082   9.7330 -33.53448 13.55859 
1 1 1    6   38    2 o  995.643   7.3882  3431.24   50.912  3346.44   70.166  3525.51   73.985  983.160   10.312  1009.11   10.593 -25.95007 14.78334 
1 1 1    6   38    3 o  1177.54   8.4647  4799.87   68.986  4598.86   93.123  5044.35  102.701  1152.45   11.675  1206.94   12.295 -54.49048 16.95461 
1 1 1    6   38    4 o  195.250   6.6399  131.954   8.9729  125.189   11.172  144.244   15.060  190.167   8.4886  203.825   10.713 -13.65800 13.66842 
1 1 1    6   38    5 o  491.922   5.9160  837.565   20.142  814.634   35.580  848.380   24.434  485.042   10.599  495.066   7.1310 -10.02451 12.77435 
1 1 1    6   38    6 o  804.817   6.3371  2242.05   35.299  2176.91   48.512  2315.34   51.460  792.949   8.8394  817.762   9.0921 -24.81244 12.68073 
1 1 1    6   38    7 o  780.569   7.1299  2109.22   38.519   0.0000   0.0000  2109.22   38.519  ?   ?   780.569   7.1299 0.000000 7.129930 
1 1 1    6   38    8 o  593.984   6.3102  1221.35   25.941  1193.17   46.466  1234.10   31.268  586.874   11.440  597.036   7.5669 -10.16180 13.71581 
1 1 1    6   38    9 o  220.824   9.5428  168.906   14.585  155.805   20.609  182.049   20.643  211.497   14.161  228.788   13.091 -17.29111 19.28484 
1 1 1    6   38   10 o  333.118   7.8151  384.336   18.018  390.829   25.398  377.756   25.566  335.785   10.929  330.108   11.190 5.676941 15.64126 
1 1 1    6   38   11 o  342.677   7.6005  406.809   18.026  445.122   26.616  374.341   24.501  358.255   10.734  328.536   10.775 29.71893 15.20951 
1 1 1    6   38   12 o  298.009   7.8767  307.806   16.246  311.561   23.205  304.195   22.753  299.585   11.191  296.030   11.105 3.555450 15.76618 
1 1 1    6   38   13 o  300.835   10.957  314.390   22.814   0.0000   0.0000  314.390   22.814  ?   ?   300.835   10.957 0.000000 10.95697 
1 1 1    6   38   14 o  372.685   7.5684  481.767   19.522  521.951   28.690  447.122   26.640  387.469   10.698  358.615   10.733 28.85400 15.15448 
1 1 1    6   38   15 o  327.109   7.7646  371.419   17.579  364.049   24.993  378.634   24.730  323.319   11.169  329.794   10.834 -6.474640 15.56037 
1 1 1    6   38   16 o  103.587   23.986   39.941   16.857   39.941   16.857   0.0000   0.0000  103.587   23.986  ?   ?  0.000000 23.98573 
1 1 1    6   38   17 o  108.912   24.886   44.634   18.348   0.0000   0.0000   44.634   18.348  ?   ?   108.912   24.886 0.000000 24.88551 
1 1 1    6   38   18 o  102.721   18.937   38.913   12.967   23.922   17.686   56.341   19.069   81.298   26.955  122.504   23.344 -41.20576 35.65789 
1 1 1    6   40    0 o  707.567   5.9129  1732.81   28.956  1661.94   39.450  1815.60   42.636  692.895   8.2262  724.209   8.5063 -31.31445 11.83330 
1 1 1    6   40    1 o  583.038   5.3871  1176.52   21.739  1124.97   29.624  1236.67   31.999  570.085   7.5080  597.714   7.7351 -27.62842 10.77974 
1 1 1    6   40    2 o  1221.10   10.069  5162.50   85.094  5094.56  102.604  5312.19  152.299  1212.89   12.223  1238.03   17.774 -25.13635 21.57112 
1 1 1    6   40    3 o  444.726   5.6828  684.548   17.492  659.828   21.061  739.512   31.404  436.604   6.9696  462.159   9.8180 -25.55524 12.04029 
1 1 1    6   40    4 o  1006.23   7.4731  3504.94   52.045  3447.15   72.309  3567.06   74.968  997.753   10.471  1014.95   10.672 -17.19403 14.95126 
1 1 1    6   40    5 f  315.292   5.0415  344.065   11.002  348.753   15.431  339.219   15.689  317.409   7.0241  313.037   7.2416 4.371704 10.08856 
1 1 1    6   40    6 o  585.619   6.0916  1187.11   24.690  1140.49   39.762  1216.36   31.499  573.878   10.011  592.746   7.6780 -18.86749 12.61618 
1 1 1    6   40    7 o  339.992   4.8084  400.098   11.315  364.128   15.178  445.098   16.976  324.319   6.7616  358.568   6.8405 -34.24893 9.618332 
1 1 1    6   40    8 o  225.568   6.6487  176.153   10.380  167.512   21.190  178.881   11.906  219.355   14.031  227.293   7.5684 -7.937531 15.94208 
1 1 1    6   40    9 o   76.988   10.960   20.955   5.6749   30.654   17.251   19.778   6.0094   92.443   25.917   74.587   12.052 17.85562 28.58239 
1 1 1    6   40   10 o  307.751   8.1542  328.129   17.368  327.659   24.765  328.585   24.365  307.348   11.642  307.794   11.437 -0.4468994 16.32027 
1 1 1    6   40   11 o  230.950   8.9735  184.916   14.344  212.878   21.143  161.073   19.523  247.596   12.338  214.920   13.189 32.67601 18.06018 
1 1 1    6   40   12 o  446.208   10.561  691.219   32.615   0.0000   0.0000  691.219   32.615  ?   ?   446.208   10.561 0.000000 10.56086 
1 1 1    6   40   13 o  211.513   9.2054  155.294   13.476  151.268   19.430  159.024   18.706  207.946   13.575  213.368   12.725 -5.422226 18.60649 
1 1 1    6   40   14 o  272.389   8.1805  257.536   15.422  250.585   22.489  263.707   21.190  268.205   12.115  275.280   11.122 -7.075500 16.44576 
1 1 1    6   40   15 o  238.073   8.6737  196.972   14.292  187.561   20.234  206.341   20.190  231.423   12.681  243.201   11.995 -11.77806 17.45521 
1 1 1    6   40   16 o   48.570   20.367   1.7241   11.538   3.4317   15.673  -0.2964   17.049   57.313   23.861   56.258   24.212 1.055035 33.99375 
1 1 1    6   40   17 o  157.875   17.827   89.659   19.138   89.659   19.138   0.0000   0.0000  157.875   17.827  ?   ?  0.000000 17.82748 
1 1 1    6   40   18 o   57.688   22.661   7.9233   13.229   2.0166   18.552   14.034   18.870   59.575   25.438   70.737   27.265 -11.16235 37.28894 
1 1 1    6   42    0 o  1374.07   11.162  6538.26  106.153  6185.37  173.378  6749.87  134.260  1335.64   18.755  1395.87   13.897 -60.22571 23.34297 
1 1 1    6   42    1 o  1209.30   8.6667  5062.90   72.538  4879.22   98.702  5278.61  106.965  1186.94   12.015  1234.52   12.519 -47.57971 17.35168 
1 1 1    6   42    2 o  357.968   5.1453  443.509   12.748  419.402   17.204  472.861   18.983  348.079   7.1411  369.593   7.4211 -21.51443 10.29895 
1 1 1    6   42    3 o  971.812   8.4447  3269.65   56.799  3199.46   67.843  3434.15  103.863  961.229   10.198  995.484   15.075 -34.25531 18.20004 
1 1 1    6   42    4 o  336.930   5.1589  392.919   12.030  387.594   16.529  398.917   17.543  334.612   7.1373  339.459   7.4667 -4.847198 10.32922 
1 1 1    6   42    5 o  1111.79   9.2995  4280.21   71.558  4130.24  118.359  4366.61   89.835  1091.51   15.667  1122.76   11.561 -31.25378 19.47099 
1 1 1    6   42    6 o  177.516   8.2472  109.111   10.133   89.122   20.254  115.784   11.702  159.157   18.746  182.614   9.2897 -23.45714 20.92166 
1 1 1    6   42    7 o  320.131   4.9890  354.738   11.054  344.137   15.137  366.853   16.181  315.275   6.9369  325.509   7.1824 -10.23395 9.985296 
1 1 1    6   42    8 o  247.485   12.954  212.976   22.112  212.976   22.112   0.0000   0.0000  247.485   12.954  ?   ?  0.000000 12.95436 
1 1 1    6   42    9 o  252.539   5.5552  220.812   9.7098  227.951   21.937  219.072   10.828  256.335   12.365  251.526   6.2201 4.808731 13.84132 
1 1 1    6   42   10 o  207.129   9.7316  148.763   13.951  124.976   19.143  175.707   20.374  189.038   14.748  224.539   13.167 -35.50089 19.77085 
1 1 1    6   42   11 o  304.514   8.1468  321.460   17.170  317.073   24.700  325.561   23.885  302.137   11.812  306.205   11.270 -4.067871 16.32600 
1 1 1    6   42   12 o  451.488   7.5430  706.735   23.570  722.927   34.268  692.195   32.472  456.172   10.854  446.425   10.510 9.747101 15.10811 
1 1 1    6   42   13 o   72.252   20.818   18.801   10.979   32.717   16.826   8.4829   14.488   94.372   25.261   61.211   23.808 33.16065 34.71171 
1 1 1    6   42   14 o  109.110   15.063   42.429   11.072   33.063   15.889   51.268   15.437   94.577   24.180  119.144   19.387 -24.56735 30.99199 
1 1 1    6   42   15 o   62.832   21.556   12.987   11.308   3.0288   14.605   27.893   17.868   55.350   23.038   87.524   26.896 -32.17426 35.41369 
1 1 1    6   42   16 o  202.165   10.219  142.927   14.252  138.878   19.369  147.707   21.047  198.311   14.206  204.321   14.988 -6.010178 20.65015 
1 1 1    6   42   17 o   60.204   25.398   3.1454   18.118   0.0000   0.0000   3.1454   18.118  ?   ?    60.204   25.398 0.000000 25.39793 
1 1 1    6   44    0 f  380.747   5.2158  501.761   13.745  460.616   18.477  552.732   20.566  364.771   7.3189  399.582   7.4364 -34.81061 10.43384 
1 1 1    6   44    1 f  875.038   7.8748  2650.81   47.692  2533.66   79.422  2716.88   59.642  855.149   13.419  885.780   9.7285 -30.63037 16.57449 
1 1 1    6   44    2 o  361.634   5.2484  452.654   13.136  430.064   17.794  479.715   19.475  352.464   7.2941  372.249   7.5590 -19.78513 10.50443 
1 1 1    6   44    3 o  496.539   5.2515  853.375   18.047  810.202   24.582  903.850   26.580  483.770   7.3418  510.959   7.5161 -27.18918 10.50688 
1 1 1    6   44    4 o  738.422   6.1051  1887.48   31.201  1841.90   43.088  1937.74   45.241  729.349   8.5358  748.073   8.7380 -18.72406 12.21524 
1 1 1    6   44    5 o  426.577   5.7335  629.893   16.928  633.180   21.066  623.903   28.439  427.655   7.1172  424.430   9.6812 3.225037 12.01582 
1 1 1    6   44    6 o  428.887   5.0627  636.716   15.028  642.452   21.131  630.846   21.376  430.759   7.0877  426.846   7.2358 3.912994 10.12881 
1 1 1    6   44    7 o  200.781   5.9930  139.568   8.3280  137.027   11.002  142.978   12.744  198.909   7.9921  203.159   9.0631 -4.249969 12.08360 
1 1 1    6   44    8 o  563.394   5.9662  1099.05   23.264  1052.33   28.053  1201.95   41.632  551.208   7.3532  588.855   10.215 -37.64679 12.58646 
1 1 1    6   44    9 o   68.116   14.272   16.725   6.5131   25.307   17.352   15.317   7.0269   85.183   26.559   65.076   15.767 20.10746 30.88692 
1 1 1    6   44   10 o  228.377   4.8822  180.598   7.7169  156.829   21.307  184.186   8.2790  211.819   14.623  230.626   5.1867 -18.80690 15.51596 
1 1 1    6   44   11 o  210.400   13.749  154.732   19.911   0.0000   0.0000  154.732   19.911  ?   ?   210.400   13.749 0.000000 13.74913 
1 1 1    6   44   12 o  264.375   8.5047  242.534   15.562  243.610   22.300  241.512   21.726  264.582   12.178  263.472   11.914 1.110107 17.03676 
1 1 1    6   44   13 o  162.902   11.105   92.778   12.445  109.951   18.366   78.195   16.924  176.682   15.166  148.452   16.765 28.23026 22.60700 
1 1 1    6   44   14 o  158.116   16.780   88.829   18.083   88.829   18.083   0.0000   0.0000  158.116   16.780  ?   ?  0.000000 16.78036 
1 1 1    6   44   15 o   59.127   21.613   10.327   11.527   7.7463   16.546   12.761   16.067   62.744   25.117   67.490   25.359 -4.745792 35.69230 
1 1 1    6   44   16 o   33.363   16.156 -18.4431   11.493 -25.8585   15.377  -9.0585   17.299   37.936   18.445   50.175   22.807 -12.23881 29.33227 
1 1 1    6   44   17 o   91.678   21.150   31.611   13.147   32.288   17.934   30.824   19.329   91.874   26.646   90.152   28.019 1.722588 38.66626 
1 1 1    6   46    0 o  794.088   6.4337  2182.85   35.360  2118.78   48.532  2255.35   51.623  782.226   8.9643  807.028   9.2423 -24.80115 12.87550 
1 1 1    6   46    1 o  445.452   5.9815  686.867   18.441  691.088   22.636  678.537   31.799  446.787   7.3203  442.616   10.380 4.171143 12.70192 
1 1 1    6   46    2 o  709.004   6.0168  1740.10   29.525  1718.83   41.184  1762.59   42.349  704.555   8.4458  713.460   8.5763 -8.905090 12.03680 
1 1 1    6   46    3 o  871.857   6.7947  2631.56   41.001  2593.72   57.079  2671.91   58.932  865.395   9.5299  878.329   9.6943 -12.93402 13.59406 
1 1 1    6   46    4 o  559.065   7.5777  1082.22   29.321  1035.61   38.655  1145.37   44.996  546.769   10.215  574.948   11.307 -28.17865 15.23808 
1 1 1    6   46    5 o  193.333   6.4550  129.408   8.6374  135.607   11.744  122.104   12.748  197.875   8.5752  187.481   9.8591 10.39389 13.06656 
1 1 1    6   46    6 o  834.233   7.6908  2410.26   44.405  2387.80   77.458  2421.26   54.195  829.658   13.489  835.974   9.3668 -6.316345 16.42254 
1 1 1    6   46    7 f  490.894   6.1539  834.432   20.908  776.585   36.405  862.905   25.541  473.242   11.115  499.131   7.3934 -25.88849 13.34904 
1 1 1    6   46    8 o  586.311   5.3798  1190.30   21.831  1107.97   29.000  1297.96   33.163  565.525   7.4093  612.054   7.8287 -46.52881 10.77898 
1 1 1    6   46    9 o  133.053   19.334   63.073   17.283   63.073   17.283   0.0000   0.0000  133.053   19.334  ?   ?  0.000000 19.33393 
1 1 1    6   46   10 o  239.331   5.4102  198.390   8.9617   0.0000   0.0000  198.390   8.9617  ?   ?   239.331   5.4102 0.000000 5.410211 
1 1 1    6   46   11 o  215.787   9.2772  161.632   13.855  132.488   18.974  194.927   20.280  194.462   14.196  236.362   12.441 -41.90042 18.87567 
1 1 1    6   46   12 o   78.528   20.612   22.516   11.344   18.546   16.551   26.034   15.580   75.438   26.068   84.812   24.905 -9.374222 36.05226 
1 1 1    6   46   13 o   49.299   20.019   3.6457   10.675   20.185   15.913  -9.8878   14.394   76.814   25.573   44.680   20.496 32.13439 32.77301 
1 1 1    6   46   14 o   77.623   20.249   22.172   10.992   19.024   15.508   25.351   15.584   74.762   25.247   83.364   25.015 -8.602058 35.54048 
1 1 1    6   46   15 o  240.147   9.1717  200.860   15.244  189.561   20.917  213.658   22.263  232.176   13.070  246.527   13.095 -14.35126 18.50131 
1 1 1    6   46   16 o  170.810   11.541  102.691   13.563   90.488   19.149  114.976   19.214  158.445   17.768  179.576   15.614 -21.13110 23.65413 
1 1 1    6   48    0 o   88.166   16.181   27.818   9.5099   33.899   11.453   14.317   17.065   97.332   17.652   71.718   26.285 25.61440 31.66199 
1 1 1    6   48    1 o  488.111   5.3130  824.719   17.949  812.432   25.033  837.720   25.750  484.394   7.4668  491.871   7.5638 -7.477356 10.62847 
1 1 1    6   48    2 o  368.905   6.2593  471.146   15.982  451.561   28.139  480.471   19.417  360.991   11.263  372.504   7.5314 -11.51291 13.54879 
1 1 1    6   48    3 o  508.943   6.0502  896.739   21.312  917.073   36.144  885.901   26.387  514.487   10.150  505.800   7.5375 8.686798 12.64299 
1 1 1    6   48    4 o  543.196   5.3927  1021.46   20.274  995.572   28.031  1049.86   29.359  536.173   7.5536  550.589   7.7044 -14.41626 10.78956 
1 1 1    6   48    5 o  680.847   5.8806  1604.97   27.711  1576.78   38.412  1635.56   40.015  674.676   8.2260  687.122   8.4142 -12.44617 11.76719 
1 1 1    6   48    6 f  426.100   11.548  629.756   34.055   0.0000   0.0000  629.756   34.055  ?   ?   426.100   11.548 0.000000 11.54767 
1 1 1    6   48    7 o  145.196   7.7106   73.250   7.7208   82.218   10.251   61.497   11.736  153.686   9.6873  132.451   12.969 21.23546 16.18758 
1 1 1    6   48    9 o  196.094   8.2085  133.327   11.141  141.658   19.372  129.210   13.618  201.279   13.993  192.668   10.249 8.610474 17.34468 
1 1 1    6   48   10 o  270.989   5.0166  254.346   9.4090  221.415   22.093  261.642   10.399  251.934   12.712  274.826   5.4672 -22.89221 13.83751 
1 1 1    6   48   11 f  149.851   12.701   78.769   13.048   61.902   18.170   96.732   18.750  131.087   20.715  165.460   16.597 -34.37349 26.54401 
1 1 1    6   48   12 o  147.426   12.287   76.282   12.423   78.780   17.982   74.000   17.183  148.718   17.825  144.126   17.591 4.591766 25.04332 
1 1 1    6   48   13 o  196.525   10.243  134.837   13.884  144.732   19.854  125.366   19.424  202.823   14.233  188.516   15.011 14.30644 20.68640 
1 1 1    6   48   14 o  122.896   15.085   53.859   12.562   37.171   18.446   68.293   17.154   99.445   26.371  137.697   18.465 -38.25114 32.19279 
1 1 1    6   48   15 o   97.467   24.223   35.815   16.269   0.0000   0.0000   35.815   16.269  ?   ?    97.467   24.223 0.000000 24.22309 
1 1 1    6   48   16 o   76.280   23.214   21.572   13.352   0.0823   18.731   43.771   19.038   58.432   25.262  106.652   26.021 -48.22059 36.26704 
1 1 1    6   50    0 o  821.206   6.5889  2335.06   37.449  2323.69   52.608  2346.75   53.322  818.974   9.2812  823.020   9.3609 -4.046021 13.18213 
1 1 1    6   50    1 o  318.974   5.5091  352.236   12.162  361.632   16.952  342.268   17.459  323.142   7.5795  314.357   8.0247 8.785370 11.03834 
1 1 1    6   50    2 o  498.836   5.3280  861.461   18.395  854.886   25.904  868.148   26.126  496.830   7.5331  500.669   7.5396 -3.838654 10.65804 
1 1 1    6   50    3 o  708.219   6.0412  1736.69   29.612  1722.02   41.507  1751.89   42.258  705.030   8.5062  711.112   8.5862 -6.081360 12.08627 
1 1 1    6   50    4 o   69.724   16.428   17.579   7.7977   23.459   10.592   10.620   11.522   80.485   19.270   60.237   21.669 20.24787 28.99734 
1 1 1    6   50    5 o  456.026   6.0796  720.163   19.189  709.045   22.666  748.293   36.052  452.425   7.2384  464.454   11.215 -12.02890 13.34834 
1 1 1    6   50    6 o  550.354   6.0638  1049.01   23.097  1036.53   28.254  1074.15   40.105  546.958   7.4635  556.476   10.413 -9.517944 12.81151 
1 1 1    6   50    7 o  609.755   5.5650  1287.64   23.485  1273.13   32.666  1303.16   33.788  606.085   7.7873  613.171   7.9618 -7.086243 11.13697 
1 1 1    6   50    8 o   92.275   15.105   30.419   9.3129   39.951   18.497   27.183   10.779  104.416   25.755   86.578   18.547 17.83839 31.73811 
1 1 1    6   50    9 o  329.582   4.8734  376.205   11.117  359.789   15.033  396.012   16.513  322.193   6.7416  337.998   7.0590 -15.80487 9.761076 
1 1 1    6   50   10 o  274.284   12.088  261.854   22.947  261.854   22.947   0.0000   0.0000  274.284   12.088  ?   ?  0.000000 12.08775 
1 1 1    6   50   11 o   84.266   8.9727   24.942   5.1525   24.741   17.207   24.961   5.4003   83.630   26.501   84.236   9.4244 -0.6060638 28.12700 
1 1 1    6   50   12 o  272.292   11.726  258.537   22.099  258.537   22.099   0.0000   0.0000  272.292   11.726  ?   ?  0.000000 11.72607 
1 1 1    6   50   13 o  238.470   8.8001  197.802   14.524  210.195   22.043  188.293   19.309  244.742   13.060  231.841   12.075 12.90121 17.78711 
1 1 1    6   50   14 o  132.213   14.200   62.124   12.790   50.537   19.405   71.024   17.008  116.030   24.909  140.452   17.903 -24.42204 30.67532 
1 1 1    6   50   15 o  151.561   13.198   81.413   13.706   74.488   19.558   88.098   19.214  142.602   20.397  156.143   18.116 -13.54066 27.28098 
1 1 1    6   52    0 o  772.923   7.3471  2069.31   39.303  2079.38   48.172  2049.27   67.974  774.622   8.9853  768.443   12.781 6.179077 15.62310 
1 1 1    6   52    1 o   88.641   14.274   27.972   8.4597   31.047   11.534   24.391   12.446   92.808   18.604   82.141   21.603 10.66699 28.50977 
1 1 1    6   52    2 f  600.329   5.6349  1247.90   23.413  1239.43   32.836  1256.65   33.391  598.118   7.9322  602.251   8.0108 -4.133057 11.27355 
1 1 1    6   52    3 o  610.007   5.6661  1288.52   23.922  1264.75   33.195  1314.19   34.504  604.172   7.9385  615.853   8.0949 -11.68091 11.33791 
1 1 1    6   52    4 o  279.229   6.8740  270.088   13.285  233.805   23.361  287.429   16.150  259.130   13.068  287.997   8.1023 -28.86655 15.37582 
1 1 1    6   52    5 o  374.937   5.8561  486.871   15.196  485.088   18.790  490.244   25.838  374.169   7.2557  375.950   9.9301 -1.780396 12.29845 
1 1 1    6   52    6 o  102.554   12.784   37.112   8.8769   39.735   10.132   28.449   18.413  105.950   14.172   89.542   27.263 16.40863 30.72684 
1 1 1    6   52    7 o  425.118   5.1009  625.897   15.008  610.622   20.608  643.148   21.900  419.746   7.0938  430.757   7.3459 -11.01083 10.21192 
1 1 1    6   52    8 o  121.525   9.1923   51.544   7.6743   55.707   10.340   46.438   11.452  126.004   12.001  114.484   14.799 11.52029 19.05357 
1 1 1    6   52    9 o  220.156   5.4261  167.923   8.2679  157.185   10.901  182.465   12.686  212.895   7.3981  229.335   7.9926 -16.44040 10.89103 
1 1 1    6   52   10 o  121.911   8.7731   51.878   7.3529   20.917   17.535   58.484   8.0994   79.047   26.845  129.439   9.0987 -50.39250 28.34495 
1 1 1    6   52   11 o  184.429   6.1523  117.947   7.8532   89.902   18.738  123.922   8.6495  159.018   17.305  189.014   6.6118 -29.99565 18.52527 
1 1 1    6   52   12 o  283.498   8.4053  279.367   16.492  282.439   24.152  276.683   22.575  284.341   12.273  281.573   11.584 2.768066 16.87622 
1 1 1    6   52   13 o   45.936   20.000  -1.6162   11.907   11.756   18.514 -11.0488   15.549   69.064   26.898   45.915   21.151 23.14909 34.21856 
1 1 1    6   52   14 o   90.932   20.053   30.718   12.281   38.790   18.262   24.054   16.593  100.993   25.979   81.315   26.052 19.67809 36.79108 
1 1 1    6   54    0 o   84.652   14.509   25.608   8.1948   26.258   11.138   24.841   12.099   85.089   19.351   82.747   21.071 2.341820 28.60809 
1 1 1    6   54    1 f  151.202   9.7701   79.613   10.170   77.854   16.116   80.777   13.110  148.741   15.901  151.999   12.574 -3.258392 20.27190 
1 1 1    6   54    2 o  432.496   5.2613  647.719   15.749  660.357   22.151  634.799   22.396  436.564   7.3309  428.016   7.5602 8.548401 10.53091 
1 1 1    6   54    3 o  421.013   5.2652  613.804   15.342  612.086   21.413  615.615   21.993  420.289   7.3613  421.485   7.5391 -1.196533 10.53692 
1 1 1    6   54    4 o   87.496   21.307   27.865   12.783   39.732   17.335   13.722   18.925  104.296   24.441   72.765   27.484 31.53123 36.77945 
1 1 1    6   54    5 o  241.404   5.9124  201.868   9.8784  199.067   13.527  205.069   14.460  239.616   8.1566  243.176   8.5916 -3.560623 11.84675 
1 1 1    6   54    6 o  213.568   6.2810  158.037   9.2842  165.866   12.541  148.542   13.811  218.694   8.2852  206.879   9.6456 11.81477 12.71541 
1 1 1    6   54    7 o  196.147   6.9779  133.369   9.4728  132.195   13.963  134.370   12.894  194.804   10.394  196.740   9.4691 -1.935562 14.06066 
1 1 1    6   54    8 o  148.784   8.1143   77.034   8.3242   70.805   9.9351   91.707   15.249  142.392   10.148  161.607   13.764 -19.21573 17.10068 
1 1 1    6   54    9 o  110.591   12.047   43.098   9.0721   59.951   19.120   38.202   10.306  128.440   22.318  103.537   14.804 24.90298 26.78151 
1 1 1    6   54   10 o  102.912   10.874   37.281   7.6280   63.805   18.561   31.891   8.3672  132.777   20.887   94.695   13.119 38.08226 24.66536 
1 1 1    6   54   11 o  147.416   6.9701   75.426   7.1115  102.927   19.623   71.268   7.6302  170.196   16.881  143.039   7.7361 27.15689 18.56940 
1 1 1    6   54   12 o  195.973   10.573  134.342   14.288  182.683   23.008  104.000   18.228  227.569   14.686  171.223   15.551 56.34608 21.38986 
1 1 1    6   54   13 o   74.080   25.201   18.893   15.454   0.0000   0.0000   18.893   15.454  ?   ?    74.080   25.201 0.000000 25.20141 
1 1 1    6   54   14 o  188.023   11.156  124.327   14.452  111.756   20.368  137.073   20.509  176.396   16.890  196.144   15.227 -19.74832 22.74063 
1 1 1    6   56    0 o  207.991   7.7155  149.944   11.107  160.342   18.398  143.982   13.932  214.450   12.449  203.710   9.8814 10.73976 15.89407 
1 1 1    6   56    1 o  389.377   5.2921  525.072   14.262  526.778   19.887  523.266   20.464  389.870   7.3702  388.550   7.6096 1.320374 10.59364 
1 1 1    6   56    2 o  222.658   6.3019  171.755   9.7116  165.270   13.145  179.548   14.411  218.305   8.7001  227.514   9.1516 -9.209152 12.62705 
1 1 1    6   56    3 o  363.189   5.3415  456.853   13.427  447.935   18.577  466.608   19.428  359.483   7.4666  366.884   7.6510 -7.401245 10.69060 
1 1 1    6   56    4 o   46.280   17.537   5.3351   7.7213  -9.3302   10.487   22.695   11.410   36.783   17.093   79.014   20.639 -42.23090 26.79797 
1 1 1    6   56    5 o  316.214   5.4173  346.372   11.856  342.563   16.342  350.605   17.228  314.327   7.5118  317.969   7.8282 -3.642029 10.84930 
1 1 1    6   56    6 o   34.900   15.352  -1.9493   7.1766   4.3812   9.7181  -9.5427   10.643   48.587   19.315   36.968   17.192 11.61875 25.85791 
1 1 1    6   56    7 o  188.532   16.013  125.171   20.697   0.0000   0.0000  125.171   20.697  ?   ?   188.532   16.013 0.000000 16.01312 
1 1 1    6   56    8 o  394.799   5.1274  540.043   14.010  535.703   19.268  544.912   20.408  392.991   7.0840  396.307   7.4404 -3.316071 10.27337 
1 1 1    6   56    9 o   39.899   15.508   3.4988   6.1448 -11.2361   7.8184   27.305   9.9379   28.547   13.698   86.695   17.170 -58.14882 21.96407 
1 1 1    6   56   10 o  282.710   6.2255  277.231   12.181  305.659   25.185  268.550   13.918  295.852   12.300  278.135   7.2299 17.71671 14.26708 
1 1 1    6   56   11 o  187.694   8.3641  122.504   10.865  149.756   20.740  112.195   12.756  206.004   14.642  179.104   10.334 26.89990 17.92143 
1 1 1    6   56   12 o  108.024   9.0563   40.930   6.7085   0.0000   0.0000   40.930   6.7085  ?   ?   108.024   9.0563 0.000000 9.056305 
1 1 1    6   56   13 o   66.210   23.069   14.635   12.975  -0.6180   20.358   25.068   16.837   60.453   26.236   82.530   26.221 -22.07707 37.09295 
1 1 1    6   58    0 f   45.256   17.756   4.1923   8.1130   24.506   11.220 -18.0702   11.745   82.011   19.956   34.376   16.568 47.63531 25.93710 
1 1 1    6   58    1 o  238.474   6.1578  197.046   10.164  204.043   14.306  189.915   14.442  242.534   8.5226  233.960   8.9187 8.573990 12.33600 
1 1 1    6   58    2 o  221.664   7.4599  170.352   11.445  167.308   13.649  177.561   21.003  219.582   8.9811  225.427   13.524 -5.845047 16.23445 
1 1 1    6   58    3 o  241.415   6.9261  202.026   11.573  197.107   14.085  212.244   20.301  238.354   8.5383  247.043   11.873 -8.689056 14.62422 
1 1 1    6   58    4 o  164.250   7.6533   93.562   8.7002   99.485   12.053   87.119   12.572  168.902   10.360  157.853   11.588 11.04843 15.54410 
1 1 1    6   58    5 o  179.297   8.6100  111.578   10.684  110.683   19.451  111.966   12.786  177.230   16.030  179.195   10.354 -1.964722 19.08333 
1 1 1    6   58    6 o   29.686   13.958  -7.8478   7.3409 -10.2089   10.425  -5.5260   10.338   35.946   16.816   39.328   17.779 -3.381897 24.47162 
1 1 1    6   58    7 o  247.160   5.7171  211.732   9.7798  222.090   13.584  200.587   14.091  252.966   7.7588  240.341   8.4713 12.62482 11.48745 
1 1 1    6   58    8 o   63.955   15.922   14.906   7.0205   15.116   8.9478   14.571   11.324   64.804   18.830   65.402   21.563 -0.5980072 28.62702 
1 1 1    6   58    9 o  185.728   6.9654  119.723   8.9537  116.346   10.817  127.073   15.958  182.955   8.5424  190.394   12.174 -7.439514 14.87177 
1 1 1    6   58   11 o   64.720   15.702   15.356   6.9619   0.7595   20.025   17.363   7.4251   61.381   26.324   68.813   15.908 -7.432236 30.75782 
1 1 1    6   58   12 f  107.457   8.1638   40.436   6.0262   21.127   19.399   42.498   6.3399   79.240   28.157  110.144   8.3794 -30.90400 29.37725 
1 1 1    6   60    0 o  200.279   8.1616  139.165   11.313  153.902   20.183  132.413   13.661  209.642   13.991  194.962   10.159 14.68010 17.29007 
1 1 1    6   60    1 o  121.856   10.086   51.938   8.4300   54.536   11.902   49.323   11.942  124.280   14.086  117.956   14.964 6.323471 20.55056 
1 1 1    6   60    2 o  249.003   8.3785  215.163   14.439  215.163   14.439   0.0000   0.0000  249.003   8.3785  ?   ?  0.000000 8.378478 
1 1 1    6   60    3 o  321.584   5.4600  358.322   12.153  346.241   16.774  371.669   17.631  315.926   7.6712  327.310   7.7829 -11.38388 10.92797 
1 1 1    6   60    4 o  203.502   6.5838  143.585   9.2730  139.444   12.743  148.245   13.519  200.366   9.1892  206.570   9.4560 -6.203903 13.18551 
1 1 1    6   60    5 o  137.171   9.6244   65.714   9.0793   80.829   14.627   56.240   11.580  151.486   14.114  126.249   13.460 25.23687 19.50340 
1 1 1    6   60    6 o  201.864   6.5597  141.324   9.1648  155.912   12.853  126.238   13.071  211.845   8.7665  190.257   9.9612 21.58772 13.26939 
1 1 1    6   60    7 o  134.876   8.5053   63.456   7.8990   61.850   10.838   65.276   11.537  132.637   11.934  136.213   12.372 -3.575958 17.18964 
1 1 1    6   60    8 o   33.346   15.287  -5.5659   7.9883   1.8912   8.9072 -36.2146   18.058   43.567   18.051   39.091   19.212 4.475094 26.36142 
1 1 1    6   60    9 o  281.704   5.4733  275.191   10.671  284.158   14.732  265.294   15.478  286.004   7.4425  276.251   8.0955 9.752991 10.99671 
1 1 1    6   60   10 o  214.113   6.0068  159.100   8.9015  174.387   12.067  140.847   13.185  223.949   7.7850  201.033   9.4761 22.91525 12.26388 
1 1 1    6   60   11 o   98.499   12.307   34.547   8.2067   0.0000   0.0000   34.547   8.2067  ?   ?    98.499   12.307 0.000000 12.30677 
1 1 1    6   62    0 o  247.734   6.1588  212.749   10.560  209.900   14.661  215.821   15.223  245.867   8.6154  249.290   8.8231 -3.423126 12.33174 
1 1 1    6   62    1 o  278.969   6.9369  269.909   13.394  294.049   23.980  258.964   16.147  290.552   11.925  273.099   8.5426 17.45288 14.66894 
1 1 1    6   62    2 o  194.865   7.0131  131.709   9.4584  143.276   13.172  119.396   13.590  203.057   9.3726  184.951   10.662 18.10646 14.19586 
1 1 1    6   62    3 o  235.498   6.2130  192.281   10.127  205.774   14.095  177.885   14.559  243.434   8.3657  226.247   9.2977 17.18704 12.50725 
1 1 1    6   62    4 o  177.875   8.0083  109.851   9.8590  132.000   15.737   95.542   12.649  194.267   11.760  165.268   11.123 28.99954 16.18688 
1 1 1    6   62    5 o  183.584   10.160  117.644   12.859   0.0000   0.0000  117.644   12.859  ?   ?   183.584   10.160 0.000000 10.16007 
1 1 1    6   62    6 o  130.089   9.1479   59.140   8.1840   52.747   11.653   65.362   11.496  121.969   14.062  136.280   12.322 -14.31110 18.69676 
1 1 1    6   62    7 o  127.405   9.1393   56.761   8.0054   62.694   11.066   50.248   11.595  133.433   12.115  118.876   14.386 14.55714 18.80742 
1 1 1    6   62    8 o  159.093   7.5558   87.946   8.3197  102.634   11.588   72.318   11.952  171.353   9.8115  143.307   12.166 28.04639 15.62910 
1 1 1    6   62    9 o   42.706   16.817   3.7926   7.3034   14.130   9.7384  -9.4955   11.041   63.164   19.928   37.661   17.513 25.50267 26.53037 
1 1 1    6   62   10 o  143.619   8.1666   72.046   8.0841   68.244   11.580   75.661   11.291  138.975   12.161  146.601   11.213 -7.626740 16.54184 
1 1 1    6   64    0 o  198.509   7.1806  136.742   9.8654  125.735   13.590  149.006   14.345  189.789   10.385  206.951   10.015 -17.16188 14.42728 
1 1 1    6   64    1 o  202.416   7.0007  142.161   9.8077  157.978   13.648  125.269   14.104  213.170   9.2502  189.363   10.806 23.80676 14.22463 
1 1 1    6   64    2 o  201.047   6.8460  140.236   9.5261  151.631   13.360  128.452   13.587  208.834   9.2433  191.836   10.270 16.99756 13.81731 
1 1 1    6   64    3 o   66.225   16.844   16.010   7.7387   27.771   10.792   3.5627   11.103   87.156   18.465   49.942   20.363 37.21398 27.48873 
1 1 1    6   64    4 o  197.991   7.9119  136.164   10.842  136.061   13.095  136.390   19.331  197.745   9.5683  196.827   14.288 0.9176483 17.19575 
1 1 1    6   64    5 o   41.178   16.900   2.0759   7.7107  -0.6987   10.937   4.8176   10.872   44.946   19.368   50.962   20.374 -6.015678 28.11091 
1 1 1    6   64    6 o  227.950   6.3472  180.311   10.014  209.941   14.550  153.647   13.803  245.691   8.5566  210.065   9.4938 35.62640 12.78074 
1 1 1    6   64    7 o   61.682   21.401   12.427   11.161   34.732   18.245  -0.9127   14.110   96.127   26.548   50.724   21.928 45.40263 34.43257 
1 1 1    6   64    8 o  155.276   7.9740   84.094   8.5406   97.913   12.192   70.778   11.968  167.103   10.596  141.604   12.335 25.49886 16.26112 
1 1 1    6   64    9 o  157.015   9.1503   86.277   9.9008   94.275   11.503   63.415   19.447  163.943   10.188  130.755   22.289 33.18811 24.50669 
1 1 1    6   66    0 o   89.518   16.662   29.075   9.9433   29.842   11.482   26.776   19.884   90.239   18.986   87.001   28.568 3.237434 34.30174 
1 1 1    6   66    1 o  178.078   7.6812  110.147   9.4671  107.448   13.020  113.176   13.791  175.244   10.787  179.808   11.136 -4.563583 15.50396 
1 1 1    6   66    2 o  152.295   10.217   81.156   10.707   86.634   19.107   78.649   12.926  155.623   18.077  149.480   12.612 6.143738 22.04163 
1 1 1    6   66    3 o  291.582   5.7590  294.865   11.622  306.945   16.593  283.231   16.284  297.182   8.0674  285.444   8.2424 11.73752 11.53341 
1 1 1    6   66    4 o  184.150   7.1785  117.772   9.1492  147.596   13.215   90.318   12.679  205.907   9.2731  160.417   11.496 45.48981 14.77009 
1 1 1    6   66    5 o  144.110   8.6425   72.519   8.5802   83.877   12.237   61.536   12.034  154.512   11.526  131.831   13.374 22.68156 17.65554 
1 1 1    6   66    6 o  136.243   10.141   65.112   9.4936   65.974   11.843   63.561   15.881  136.639   12.667  132.789   17.722 3.850113 21.78351 
1 1 1    6   66    7 o  147.313   8.2805   75.786   8.4083   82.803   12.019   69.060   11.767  153.400   11.402  139.824   12.284 13.57672 16.76018 
1 1 1    6   66    8 o  154.517   8.1751   83.398   8.7116  101.378   12.746   67.635   11.934  169.822   10.902  138.167   12.619 31.65509 16.67629 
1 1 1    6   68    0 o   83.788   17.569   25.724   9.8627   15.483   15.753   32.326   12.649   70.287   25.331   93.594   20.124 -23.30625 32.35172 
1 1 1    6   68    1 f  205.365   6.9434  146.465   9.8690  170.558   14.242  124.209   13.688  221.305   9.2983  188.401   10.540 32.90457 14.05508 
1 1 1    6   68    2 o  207.920   7.7575  150.277   11.163  171.707   18.982  138.946   13.803  221.132   12.453  199.380   10.035 21.75159 15.99287 
1 1 1    6   68    3 o   81.841   15.484   24.350   8.4494   16.762   11.751   32.472   12.158   68.759   21.912   93.898   19.352 -25.13872 29.23396 
1 1 1    6   68    4 o   64.419   17.596   15.201   8.0671   12.605   11.484   17.730   11.335   62.168   21.701   70.017   21.406 -7.849510 30.48163 
1 1 1    6   68    5 f  151.123   10.030   80.071   10.432   91.874   12.614   54.537   18.554  161.643   11.347  120.994   22.997 40.64980 25.64390 
1 1 1    6   68    6 o   45.457   17.527   5.0068   7.8000   15.143   11.076  -4.9661   10.986   65.516   21.312   40.897   18.422 24.61908 28.17080 
1 1 1    6   70    0 o  110.551   13.248   43.520   9.9347   54.198   12.279   23.278   16.906  123.176   14.693   80.519   26.337 42.65655 30.15815 
1 1 1    6   70    1 o  120.645   12.152   51.514   10.009   49.073   16.240   53.010   12.710  115.228   21.143  121.591   15.452 -6.363075 26.18751 
1 1 1    6   70    2 o  144.846   9.0176   73.410   8.9953   80.007   12.630   66.618   12.815  150.568   12.225  136.948   13.704 13.62021 18.36444 
1 1 1    6   70    3 o   90.415   14.457   29.516   8.7419   19.303   12.033   40.931   12.722   72.630   22.023  105.820   18.016 -33.18947 28.45305 
1 1 1    7    1    0 o  711.634   7.8711  1752.67   38.768  1698.54   53.365  1813.17   56.414  700.527   11.007  723.777   11.262 -23.25031 15.74716 
1 1 1    7    1    1 o  2152.15   20.376 16038.53  303.509 16243.90  435.107 15843.90  423.577  2165.19   29.035  2138.41   28.620 26.78613 40.76907 
1 1 1    7    1    2 o  115.449   5.5697   46.126   4.4504   51.902   7.8100   43.349   5.4157  122.104   9.3117  111.696   7.0416 10.40815 11.67443 
1 1 1    7    1    3 o  2206.58   14.783 16855.59  225.760 17374.54  330.088 16399.47  309.456  2239.85   21.293  2176.15   20.546 63.70142 29.58943 
1 1 1    7    1    4 o  1951.49   13.138 13183.34  177.452 13143.06  250.172 13224.13  251.744  1948.19   18.554  1954.18   18.613 -5.994995 26.28089 
1 1 1    7    1    5 o  786.902   6.0255  2143.03   32.816  2146.99   46.492  2139.10   46.327  787.593   8.5290  786.145   8.5145 1.448364 12.05155 
1 1 1    7    1    6 o  877.631   7.5756  2666.10   46.016  2597.07   77.724  2703.35   57.098  865.994   12.968  883.686   9.3356 -17.69128 15.97857 
1 1 1    7    1    7 o  599.581   5.9348  1244.39   24.628  1251.64   30.287  1230.24   42.313  601.285   7.2778  596.009   10.258 5.275574 12.57720 
1 1 1    7    1    8 o  466.076   4.6110  751.851   14.874  773.450   21.426  731.758   20.665  472.684   6.5492  459.769   6.4942 12.91492 9.223157 
1 1 1    7    1    9 o  518.429   4.8483  930.214   17.396  933.162   24.642  927.284   24.562  519.217   6.8572  517.579   6.8567 1.638123 9.697206 
1 1 1    7    1   10 o  895.617   6.7470  2776.37   41.823  2761.41   58.811  2791.68   59.487  893.113   9.5143  897.991   9.5713 -4.878479 13.49561 
1 1 1    7    1   11 o  1034.14   8.7419  3702.04   62.570  3759.02  110.191  3674.93   76.013  1041.73   15.283  1030.27   10.660 11.46680 18.63361 
1 1 1    7    1   12 o  462.112   4.9123  739.083   15.711  758.909   22.464  720.099   21.982  468.241   6.9316  456.111   6.9634 12.13025 9.825260 
1 1 1    7    1   13 o  450.500   5.0623  702.441   15.784  716.964   22.778  689.026   21.893  455.092   7.2316  446.140   7.0901 8.952057 10.12751 
1 1 1    7    1   14 o  501.010   5.9722  868.917   20.709  877.806   25.502  851.707   35.485  503.525   7.3178  495.864   10.340 7.660889 12.66713 
1 1 1    7    1   15 o  196.237   6.5562  133.339   8.9045  145.852   12.735  121.368   12.456  205.187   8.9673  186.909   9.6616 18.27785 13.18176 
1 1 1    7    1   16 o  327.195   5.1495  370.688   11.661  374.745   16.533  366.669   16.451  328.888   7.2630  325.322   7.3064 3.565277 10.30212 
1 1 1    7    1   18 o  114.697   10.278   46.095   8.0723   45.630   11.621   46.529   11.221  113.281   15.206  114.551   14.477 -1.269943 20.99545 
1 1 1    7    1   19 o  157.132   8.0458   85.988   8.7207   76.451   12.091   96.328   12.590  147.551   11.942  165.896   11.028 -18.34448 16.25523 
1 1 1    7    1   20 o  175.896   8.4567  107.658   10.295  105.481   12.739  111.756   17.479  173.511   10.660  177.755   14.330 -4.244553 17.85972 
1 1 1    7    1   21 o  138.818   8.7621   67.465   8.3752   76.054   12.136   59.655   11.573  146.698   12.060  129.553   13.086 17.14507 17.79548 
1 1 1    7    3    0 o  1036.54   8.5762  3718.51   61.526  3617.07  103.611  3773.76   76.469  1022.20   14.645  1044.18   10.581 -21.98505 18.06760 
1 1 1    7    3    1 o  715.810   6.4540  1773.25   31.975  1799.51   56.167  1760.66   38.892  721.045   11.255  713.253   7.8784 7.792053 13.73830 
1 1 1    7    3    2 o  764.293   6.7672  2021.61   35.797  1934.63   59.816  2070.15   44.681  747.619   11.560  773.399   8.3473 -25.77991 14.25872 
1 1 1    7    3    3 o  2485.57   19.134 21392.80  329.164 21746.34  580.500 21225.25  399.621  2504.43   33.490  2475.45   23.325 28.98145 40.81217 
1 1 1    7    3    4 o  3092.04   29.007 33139.88  620.761   0.0000   0.0000 33139.88  620.761  ?   ?   3092.04   29.007 0.000000 29.00698 
1 1 1    7    3    5 o  561.997   5.6744  1093.08   22.072  1183.90   41.037  1056.11   26.181  584.827   10.139  552.402   6.8477 32.42474 12.23447 
1 1 1    7    3    6 o  408.049   4.3392  576.246   12.255  578.060   17.346  574.437   17.316  408.674   6.1325  407.392   6.1412 1.282806 8.678797 
1 1 1    7    3    7 o  404.436   4.3953  566.121   12.303  568.130   17.391  564.107   17.407  405.124   6.2025  403.686   6.2303 1.437561 8.791326 
1 1 1    7    3    8 o  373.629   5.0558  483.184   13.074  486.143   16.081  477.415   22.453  374.753   6.2001  371.320   8.7368 3.432922 10.71323 
1 1 1    7    3    9 o  1550.21   10.650  8321.38  114.270  8419.49  163.585  8227.90  159.690  1558.82   15.162  1541.01   14.973 17.81396 21.30910 
1 1 1    7    3   10 o  188.360   5.3702  122.794   7.0009  118.590   9.7850  127.203   10.021  185.095   7.6381  191.700   7.5527 -6.604599 10.74171 
1 1 1    7    3   11 o  248.259   5.0419  213.306   8.6632  214.376   12.364  212.275   12.142  248.868   7.1784  247.646   7.0840 1.222046 10.08524 
1 1 1    7    3   12 o  625.932   6.3379  1356.09   27.457  1396.58   49.049  1337.61   33.135  635.075   11.159  621.623   7.7015 13.45190 13.55879 
1 1 1    7    3   13 o  578.598   5.3588  1158.74   21.460  1142.46   30.132  1175.50   30.570  574.463   7.5786  582.711   7.5800 -8.247253 10.71873 
1 1 1    7    3   14 o  492.975   5.1695  841.207   17.638  825.530   24.737  857.421   25.157  488.301   7.3195  497.643   7.3039 -9.342896 10.34035 
1 1 1    7    3   15 o  355.325   5.9224  437.124   14.565  437.917   17.791  435.512   25.361  355.606   7.2287  354.497   10.336 1.108612 12.61328 
1 1 1    7    3   16 o  430.179   5.8208  640.864   17.331  643.060   21.319  636.585   29.758  430.834   7.1496  428.429   10.036 2.405548 12.32193 
1 1 1    7    3   17 o  543.153   5.3620  1021.85   20.157  1012.92   28.331  1031.00   28.685  540.530   7.5728  545.330   7.6001 -4.799622 10.72889 
1 1 1    7    3   18 o  174.536   7.2374  105.660   8.7427   94.059   12.711  116.076   12.044  164.029   11.265  182.534   9.5667 -18.50482 14.77904 
1 1 1    7    3   19 o   96.344   13.494   33.074   8.7509   46.093   14.875   26.184   10.822  112.572   19.815   84.488   18.971 28.08395 27.43254 
1 1 1    7    3   20 o  141.577   8.5613   70.008   8.3496   84.924   12.353   57.461   11.330  155.434   11.565  127.385   13.034 28.04952 17.42542 
1 1 1    7    3   21 o  139.640   9.9922   68.501   9.5933   73.965   12.012   58.878   15.941  144.638   12.111  126.993   18.696 17.64476 22.27566 
1 1 1    7    5    0 o  2089.10   16.182 15109.14  233.980 15302.44  410.807 15016.33  284.664  2101.57   28.243  2082.47   19.750 19.09375 34.46407 
1 1 1    7    5    1 f  2689.24   20.639 25043.21  384.152 25400.00  676.179 24873.17  466.801  2706.50   36.097  2679.66   25.170 26.83472 44.00604 
1 1 1    7    5    2 o  951.496   6.9310  3133.25   45.644  3057.57   63.045  3216.61   66.168  939.901   9.6915  964.032   9.9170 -24.13129 13.86623 
1 1 1    7    5    3 o  1630.15   11.097  9198.07  125.197  9387.50  180.924  9024.02  173.424  1646.67   15.875  1614.49   15.520 32.17871 22.20119 
1 1 1    7    5    4 o  1702.45   13.354 10033.51  157.345 10019.51  272.368 10040.52  192.765  1700.65   23.140  1702.89   16.356 -2.245483 28.33671 
1 1 1    7    5    5 o  182.417   4.5036  115.160   5.6860  110.583   8.1434  119.514   7.9427  178.750   6.5824  185.829   6.1756 -7.079163 9.025811 
1 1 1    7    5    6 o  1004.31   7.2875  3491.31   50.655  3429.98   70.413  3557.09   72.927  995.327   10.221  1013.59   10.396 -18.26575 14.57887 
1 1 1    7    5    7 o  1256.80   8.8181  5469.40   76.704  5499.88  109.125  5439.64  107.838  1259.90   12.514  1252.99   12.435 6.908569 17.64197 
1 1 1    7    5    8 o  452.497   5.2583  708.706   16.468  737.561   28.880  694.804   20.046  461.525   9.0413  448.013   6.4649 13.51160 11.11487 
1 1 1    7    5    9 o  511.673   5.5456  906.159   19.639  904.323   24.136  909.756   33.785  511.133   6.8225  512.606   9.5228 -1.472656 11.71452 
1 1 1    7    5   10 o  458.892   4.7213  728.801   14.995  743.018   21.437  715.180   20.983  463.323   6.6851  454.562   6.6696 8.761780 9.443153 
1 1 1    7    5   11 o  298.572   4.7763  308.522   9.8699  302.750   13.933  314.336   13.984  295.752   6.8067  301.358   6.7044 -5.606537 9.554073 
1 1 1    7    5   12 o  845.286   7.5201  2473.31   43.995  2512.20   77.148  2454.57   53.558  851.656   13.088  842.018   9.1901 9.638367 15.99255 
1 1 1    7    5   13 o  321.848   5.0803  358.531   11.317  342.402   15.999  374.681   16.009  314.495   7.3503  328.991   7.0310 -14.49551 10.17161 
1 1 1    7    5   14 o  514.756   5.2197  917.191   18.596  910.885   26.337  923.459   26.261  512.918   7.4190  516.448   7.3468 -3.530518 10.44115 
1 1 1    7    5   15 o  164.529   7.3574   93.747   8.3781   93.425   11.958   94.058   11.742  163.839   10.602  164.415   10.372 -0.5757294 14.83157 
1 1 1    7    5   16 o  202.944   6.2980  142.653   8.8462  145.148   12.504  140.153   12.517  204.623   8.8291  201.066   8.9946 3.557709 12.60377 
1 1 1    7    5   17 o  178.990   6.8602  111.035   8.4985  123.046   12.222   99.793   11.825  188.299   9.3784  169.234   10.143 19.06439 13.81393 
1 1 1    7    5   18 o  127.671   10.319   57.037   9.0405   57.951   15.777   56.591   11.031  127.191   18.462  126.800   12.742 0.3906326 22.43216 
1 1 1    7    5   19 o   59.704   18.368   12.598   8.3307  -2.8712   14.771   19.815   10.088   50.468   22.116   73.543   19.502 -23.07514 29.48636 
1 1 1    7    5   20 o   68.344   16.438   17.150   7.6806   26.523   11.187   8.7930   10.564   84.681   19.492   55.603   20.627 29.07774 28.37993 
1 1 1    7    5   21 o   92.254   12.801   30.487   7.9535   23.162   11.356   37.541   11.143   78.679   20.608  101.578   16.410 -22.89944 26.34313 
1 1 1    7    7    0 o  2148.27   20.357 15981.07  302.683   0.0000   0.0000 15981.07  302.683  ?   ?   2148.27   20.357 0.000000 20.35739 
1 1 1    7    7    1 o  418.539   4.8865  606.228   14.155  620.488   25.075  599.559   17.149  423.417   8.5564  416.227   5.9529 7.189697 10.42349 
1 1 1    7    7    2 o  471.806   4.4324  770.350   14.474  750.844   20.143  791.173   20.812  465.787   6.2482  478.132   6.2890 -12.34534 8.865217 
1 1 1    7    7    3 o  2561.65   17.063 22720.42  302.513 22390.62  420.843 23073.02  435.151  2542.35   23.917  2580.75   24.362 -38.40112 34.14009 
1 1 1    7    7    4 o  1182.18   11.767  4837.75   96.281   0.0000   0.0000  4837.75   96.281  ?   ?   1182.18   11.767 0.000000 11.76746 
1 1 1    7    7    5 o  2035.00   15.812 14341.70  222.711 14443.90  389.118 14291.92  271.595  2040.69   27.550  2031.09   19.320 9.595337 33.64967 
1 1 1    7    7    6 o  383.265   4.2899  508.380   11.380  519.337   16.266  497.875   15.926  387.355   6.0671  379.266   6.0672 8.088531 8.580289 
1 1 1    7    7    7 o  721.245   5.7269  1800.65   28.587  1822.06   40.865  1780.12   40.006  725.424   8.1393  717.029   8.0614 8.394470 11.45575 
1 1 1    7    7    8 o  785.857   7.0210  2137.88   38.188  2126.90   46.713  2160.00   66.304  783.769   8.6115  789.643   12.132 -5.873901 14.87752 
1 1 1    7    7    9 o  598.926   5.1891  1241.52   21.510  1277.33   31.118  1208.76   29.767  607.459   7.4016  590.930   7.2781 16.52887 10.38048 
1 1 1    7    7   10 o  699.580   5.7147  1693.87   27.670  1721.66   39.692  1667.60   38.594  705.245   8.1317  694.088   8.0339 11.15704 11.43106 
1 1 1    7    7   11 o  1084.97   9.0441  4074.99   67.914  4080.49  117.419  4072.23   83.253  1085.33   15.631  1084.51   11.092 0.8264160 19.16669 
1 1 1    7    7   12 o  842.821   6.5252  2458.75   38.063  2515.98   54.995  2406.13   52.735  852.474   9.3211  833.664   9.1397 18.80994 13.05435 
1 1 1    7    7   13 o  358.973   4.9557  446.010   12.312  452.506   17.887  440.161   16.974  361.544   7.1482  356.582   6.8776 4.961334 9.919554 
1 1 1    7    7   14 o  702.008   5.8916  1705.98   28.626  1725.31   40.863  1687.36   40.113  705.854   8.3645  698.054   8.3027 7.800720 11.78555 
1 1 1    7    7   15 o  287.352   6.0395  285.893   12.011  291.145   15.066  276.732   19.899  289.938   7.5077  282.574   10.175 7.363678 12.64468 
1 1 1    7    7   16 o  775.554   7.2815  2084.00   39.085  2127.59   48.568  2003.90   65.842  783.378   8.9578  759.602   12.524 23.77594 15.39771 
1 1 1    7    7   17 o  339.264   5.1347  398.657   12.057  391.210   17.219  405.820   16.887  335.923   7.4063  342.161   7.1310 -6.237549 10.28126 
1 1 1    7    7   18 o  217.808   6.1074  164.445   9.2067  172.308   13.305  157.221   12.753  222.768   8.6294  212.790   8.6595 9.978500 12.22513 
1 1 1    7    7   19 o  157.073   7.4776   85.666   8.1291   91.614   11.723   80.158   11.282  161.834   10.524  151.279   10.847 10.55470 15.11332 
1 1 1    7    7   20 o  302.835   6.3337  318.374   13.275  342.439   24.469  308.336   15.803  312.991   11.295  297.802   7.6672 15.18808 13.65188 
1 1 1    7    7   21 o  168.510   8.6415   99.283   10.045   89.008   12.445  118.488   17.014  158.914   11.390  182.827   13.542 -23.91235 17.69538 
1 1 1    7    9    0 o  700.276   5.5510  1697.10   26.904  1641.41   37.054  1759.20   39.128  688.674   7.7739  712.955   7.9295 -24.28088 11.10455 
1 1 1    7    9    1 o  666.519   6.1981  1537.44   28.592  1516.10   49.081  1548.41   35.178  661.834   10.715  668.881   7.5987 -7.047302 13.13585 
1 1 1    7    9    2 o  1385.89   9.5763  6647.73   91.855  6703.72  131.057  6593.67  128.779  1391.60   13.607  1380.13   13.482 11.46570 19.15495 
1 1 1    7    9    3 o  2891.70   22.166 28964.68  443.620 28507.32  754.219 29206.60  548.540  2866.13   38.021  2903.04   27.301 -36.90845 46.80756 
1 1 1    7    9    4 o  1390.05   11.099  6688.60  106.780  6656.10  129.973  6756.10  187.288  1386.57   13.544  1396.63   19.375 -10.05811 23.63976 
1 1 1    7    9    5 o  1609.37   10.985  8966.91  122.358  8907.29  171.759  9028.35  174.353  1603.68   15.475  1614.53   15.603 -10.85022 21.97541 
1 1 1    7    9    6 o  1302.90   10.513  5878.47   94.801  5897.56  165.202  5869.10  115.757  1304.12   18.303  1301.65   12.849 2.476685 22.36289 
1 1 1    7    9    7 o  421.411   4.4428  614.652   12.958  605.281   18.210  624.264   18.443  418.152   6.2923  424.659   6.2750 -6.506958 8.886450 
1 1 1    7    9    8 o  798.334   6.1634  2206.09   34.055  2196.87   48.012  2215.42   48.310  796.567   8.7087  799.922   8.7260 -3.354919 12.32824 
1 1 1    7    9    9 o  458.770   5.3042  728.445   16.842  770.244   29.595  708.426   20.482  471.685   9.0655  452.405   6.5413 19.28006 11.17906 
1 1 1    7    9   10 o  337.805   5.3530  394.939   12.515  401.339   15.226  381.610   21.974  340.522   6.4606  332.013   9.5627 8.508972 11.54056 
1 1 1    7    9   11 o  418.837   4.7248  607.125   13.696  614.038   19.730  600.694   19.029  421.194   6.7680  416.594   6.5996 4.599762 9.453061 
1 1 1    7    9   12 o  499.731   5.0030  864.328   17.304  869.705   24.777  859.207   24.177  501.248   7.1419  498.216   7.0114 3.031952 10.00832 
1 1 1    7    9   13 o  759.440   6.1247  1996.42   32.193  2056.99   46.821  1942.11   44.335  770.765   8.7769  748.942   8.5531 21.82269 12.25518 
1 1 1    7    9   14 o  1043.02   10.849  3769.05   78.317  3800.49  112.528  3739.51  109.067  1046.72   15.533  1038.34   15.177 8.375000 21.71644 
1 1 1    7    9   15 o  476.002   5.1168  784.399   16.857  804.023   24.367  766.384   23.346  481.821   7.3069  470.415   7.1705 11.40579 10.23751 
1 1 1    7    9   16 o   54.833   17.184   10.365   7.2533   17.791   10.738   4.1335   9.8367   70.699   20.652   48.604   19.397 22.09457 28.33271 
1 1 1    7    9   17 o  138.012   9.6716   66.445   9.1799   54.898   11.064   91.951   16.445  124.934   12.985  161.738   14.857 -36.80349 19.73176 
1 1 1    7    9   18 o  189.784   6.5485  124.889   8.6016  114.653   12.230  134.907   12.100  181.360   9.7797  197.087   8.8704 -15.72694 13.20328 
1 1 1    7    9   19 o  220.035   6.0383  167.920   9.1956  176.778   13.012  159.081   12.998  225.536   8.3356  213.899   8.7796 11.63690 12.10637 
1 1 1    7    9   20 f   73.605   17.342   19.948   8.6892   25.936   11.290   11.249   13.608   83.645   19.808   62.677   23.380 20.96868 30.64329 
1 1 1    7    9   21 o   63.626   17.324   14.931   7.8341   21.744   11.039   8.0190   11.119   76.258   20.482   54.977   20.994 21.28077 29.32991 
1 1 1    7   11    0 o  1697.16   11.531  9969.90  135.448  9806.97  188.131 10145.24  195.167  1683.05   16.151  1711.81   16.473 -28.76538 23.06946 
1 1 1    7   11    1 o  1309.75   10.523  5937.59   95.392  5707.32  158.584  6068.15  119.410  1283.87   17.847  1324.01   13.031 -40.13513 22.09789 
1 1 1    7   11    2 o  735.521   6.6193  1872.29   33.696  1759.02   55.171  1939.68   42.556  712.872   11.182  748.624   8.2134 -35.75195 13.87436 
1 1 1    7   11    3 o  578.521   4.9458  1158.27   19.803  1137.45   27.642  1180.21   28.385  573.285   6.9666  583.961   7.0231 -10.67651 9.892237 
1 1 1    7   11    4 o  508.847   4.6406  896.079   16.343  874.901   22.744  918.689   23.500  502.783   6.5359  515.211   6.5904 -12.42776 9.281800 
1 1 1    7   11    5 o  608.557   7.2373  1281.87   30.483   0.0000   0.0000  1281.87   30.483  ?   ?   608.557   7.2373 0.000000 7.237335 
1 1 1    7   11    6 o  1305.27   9.1051  5899.31   82.255  5913.77  116.639  5885.00  116.016  1306.48   12.899  1303.30   12.862 3.176880 18.21566 
1 1 1    7   11    7 o  555.246   6.9928  1067.31   26.873  1078.05   39.501  1058.05   36.665  557.909   10.230  552.738   9.5841 5.171021 14.01802 
1 1 1    7   11    8 o  923.553   6.8612  2952.52   43.857  3048.25   63.930  2867.42   60.277  938.265   9.8447  910.024   9.5703 28.24023 13.72986 
1 1 1    7   11    9 f  1370.24   11.004  6501.07  104.357  6597.23  130.003  6326.83  174.995  1380.12   13.610  1351.02   18.715 29.10388 23.14039 
1 1 1    7   11   10 o  403.270   5.2029  562.841   14.522  561.951   24.437  563.327   18.056  402.910   8.7633  403.432   6.4664 -0.5213013 10.89086 
1 1 1    7   11   11 o  759.480   7.0122  1996.51   36.859  2047.06   45.958  1905.37   61.709  768.993   8.6350  741.788   12.020 27.20441 14.79985 
1 1 1    7   11   12 o  803.595   6.3145  2235.22   35.120  2302.64   51.138  2175.03   48.316  815.527   9.0600  792.618   8.8074 22.90930 12.63547 
1 1 1    7   11   13 o  691.209   5.7933  1653.77   27.715  1700.59   40.222  1611.45   38.243  700.832   8.2923  682.224   8.0992 18.60834 11.59138 
1 1 1    7   11   14 o  313.844   5.0843  340.949   11.044  358.775   16.239  325.609   15.064  321.898   7.2887  306.663   7.0975 15.23486 10.17348 
1 1 1    7   11   15 o  386.924   5.8286  518.363   15.609  547.805   29.394  506.800   18.421  397.505   10.684  382.540   6.9574 14.96564 12.74970 
1 1 1    7   11   16 f  242.790   6.3021  204.191   10.590  203.366   18.524  204.591   12.907  242.051   11.057  242.970   7.6755 -0.9187012 13.46004 
1 1 1    7   11   17 o  136.060   8.2323   64.448   7.7158   72.141   11.268   57.657   10.587  143.607   11.432  128.192   12.075 15.41461 16.62807 
1 1 1    7   11   18 o   43.931   16.733   4.7409   7.0528   6.1879   10.182   3.4064   9.7786   51.729   20.003   47.353   19.184 4.375439 27.71536 
1 1 1    7   11   19 o  345.366   5.2187  413.479   12.474  416.345   17.727  410.667   17.558  346.262   7.3968  343.896   7.3767 2.366150 10.44645 
1 1 1    7   11   20 o   67.017   16.310   16.503   7.4937   23.383   10.874   10.281   10.341   79.399   19.844   57.453   20.543 21.94548 28.56181 
1 1 1    7   11   21 o   48.246   18.562   5.8373   8.7327   11.961   16.878   3.5987   10.205   66.650   25.759   47.844   19.517 18.80604 32.31781 
1 1 1    7   13    0 o  1396.18   9.6531  6746.95   93.279  6809.76  188.154  6726.49  107.407  1402.29   19.386  1394.02   11.132 8.267822 22.35544 
1 1 1    7   13    1 o  1810.02   14.148 11341.85  177.240 11000.00  296.784 11531.36  220.972  1781.88   24.065  1824.89   17.495 -43.01501 29.75251 
1 1 1    7   13    2 o  1013.28   8.4804  3553.59   59.473  3355.61   97.611  3670.48   75.003  984.505   14.325  1029.76   10.524 -45.25775 17.77519 
1 1 1    7   13    3 o  629.269   5.2405  1370.41   22.824  1259.24   30.167  1519.21   34.903  603.188   7.2262  662.529   7.6117 -59.34076 10.49548 
1 1 1    7   13    4 o  483.749   4.5629  809.875   15.277  807.790   21.572  811.973   21.638  483.109   6.4517  484.358   6.4547 -1.249146 9.126186 
1 1 1    7   13    5 o  990.462   7.2034  3395.81   49.380  3371.93   69.372  3420.35   70.306  986.837   10.157  993.893   10.221 -7.056580 14.40912 
1 1 1    7   13    6 o  912.053   7.7800  2880.01   49.111  2860.33   59.987  2920.00   85.523  908.823   9.5368  917.928   13.462 -9.104858 16.49742 
1 1 1    7   13    7 o  836.008   6.3608  2419.35   36.805  2362.06   50.983  2481.70   53.186  825.930   8.9188  846.580   9.0772 -20.65009 12.72557 
1 1 1    7   13    8 o  742.062   6.8089  1906.07   34.970  2006.83   64.343  1863.83   41.660  761.206   12.213  733.752   8.2034 27.45459 14.71235 
1 1 1    7   13    9 o  1236.31   10.051  5291.72   86.000  5443.90  152.638  5220.95  104.096  1253.38   17.596  1227.88   12.249 25.49817 21.43925 
1 1 1    7   13   10 o  790.472   6.1945  2162.65   33.890  2203.75   48.789  2124.34   47.110  797.883   8.8349  783.381   8.6888 14.50226 12.39159 
1 1 1    7   13   11 o  566.098   5.1589  1109.13   20.213  1131.31   29.195  1088.72   28.012  571.693   7.3786  560.832   7.2166 10.86102 10.32099 
1 1 1    7   13   12 o  472.716   5.7627  773.451   18.854  789.373   23.074  741.463   32.705  477.534   6.9815  462.739   10.212 14.79517 12.37013 
1 1 1    7   13   13 f  218.588   8.3909  165.440   12.694  165.440   12.694   0.0000   0.0000  218.588   8.3909  ?   ?  0.000000 8.390923 
1 1 1    7   13   14 o  625.750   5.5520  1355.48   24.045  1397.82   35.006  1317.67   33.086  635.333   7.9608  616.860   7.7496 18.47296 11.10994 
1 1 1    7   13   15 o  366.836   5.0176  465.884   12.739  468.332   18.507  463.680   17.562  367.711   7.2720  365.895   6.9350 1.815674 10.04873 
1 1 1    7   13   16 o  191.445   6.5286  126.975   8.6505  116.946   12.736  135.564   11.787  183.313   10.077  197.733   8.6126 -14.42012 13.25595 
1 1 1    7   13   17 o  145.221   7.6650   73.340   7.6767   73.159   10.945   73.514   10.770  144.666   11.014  145.046   10.806 -0.3806915 15.42987 
1 1 1    7   13   18 o  168.123   9.9508   98.628   11.527   98.628   11.527   0.0000   0.0000  168.123   9.9508  ?   ?  0.000000 9.950761 
1 1 1    7   13   19 o  108.700   11.575   41.699   8.5744   38.905   10.806   46.449   14.090  104.146   15.461  113.198   18.632 -9.051926 24.21125 
1 1 1    7   13   20 o  101.866   11.032   36.691   7.6538   42.625   11.226   31.537   10.462  108.902   15.318   93.001   16.876 15.90131 22.79066 
1 1 1    7   13   21 f  146.642   9.1275   75.395   9.2179   67.561   15.486   79.695   11.472  136.673   16.720  150.321   11.105 -13.64783 20.07138 
1 1 1    7   15    0 o  1862.14   14.538 12005.24  187.367   0.0000   0.0000 12005.24  187.367  ?   ?   1862.14   14.538 0.000000 14.53798 
1 1 1    7   15    1 o  546.344   9.7413  1033.17   36.835  1033.17   36.835   0.0000   0.0000  546.344   9.7413  ?   ?  0.000000 9.741265 
1 1 1    7   15    2 o  1314.28   10.575  5979.16   96.194  5995.12  167.222  5971.27  117.600  1315.66   18.364  1313.32   12.938 2.341919 22.46406 
1 1 1    7   15    3 o  1026.26   7.4202  3645.29   52.705  3562.96   72.904  3735.44   76.283  1014.52   10.383  1038.78   10.610 -24.25812 14.84521 
1 1 1    7   15    4 o  1073.58   7.6949  3989.61   57.176  3900.29   79.042  4087.64   82.807  1061.36   10.760  1086.54   11.011 -25.17920 15.39592 
1 1 1    7   15    5 o  439.521   5.0544  668.622   15.375  646.257   18.776  714.146   26.788  432.087   6.2785  454.165   8.5221 -22.07800 10.58517 
1 1 1    7   15    6 o  107.709   6.2187   40.294   4.6162   44.724   6.6626   36.203   6.4016  113.327   8.5575  101.834   9.1816 11.49307 12.55121 
1 1 1    7   15    7 o  636.513   5.3157  1402.31   23.418  1399.62   33.168  1404.98   33.067  635.843   7.5369  637.060   7.4996 -1.217773 10.63246 
1 1 1    7   15    8 o  1000.70   8.3960  3466.69   58.151  3616.10  104.149  3399.01   70.094  1021.66   14.729  990.801   10.222 30.85516 17.92829 
1 1 1    7   15    9 o  204.200   5.7624  144.318   8.1440  152.195   16.079  141.600   9.4451  209.363   11.137  202.263   6.7470 7.099564 13.02114 
1 1 1    7   15   10 o  506.985   5.5835  889.595   19.592  905.602   24.784  862.927   31.990  511.508   7.0008  499.273   9.2575 12.23441 11.60653 
1 1 1    7   15   11 o  629.882   5.4373  1373.18   23.704  1438.12   34.903  1317.58   32.294  644.557   7.8238  616.957   7.5629 27.59967 10.88162 
1 1 1    7   15   12 o  284.629   8.7103  280.488   17.159   0.0000   0.0000  280.488   17.159  ?   ?   284.629   8.7103 0.000000 8.710264 
1 1 1    7   15   13 o  1176.47   8.4387  4792.53   68.712  4924.21   99.866  4674.14   94.688  1192.15   12.104  1161.52   11.779 30.62793 16.88871 
1 1 1    7   15   14 o  204.490   6.0822  144.771   8.6082  158.295   12.919  133.974   11.544  213.779   8.7317  196.677   8.4806 17.10223 12.17222 
1 1 1    7   15   15 o  184.215   6.6527  117.531   8.4820  121.469   12.625  114.291   11.452  186.931   9.7921  181.361   9.1527 5.570084 13.40363 
1 1 1    7   15   16 o  569.229   5.3845  1122.19   21.213  1115.31   29.996  1129.09   30.005  567.249   7.6403  570.749   7.5956 -3.499573 10.77345 
1 1 1    7   15   17 o  202.745   6.0930  142.449   8.5498  131.699   12.166  152.938   12.018  194.780   9.0247  209.951   8.2704 -15.17097 12.24114 
1 1 1    7   15   18 o  320.588   5.7989  356.275   12.867  327.655   15.628  416.488   22.668  307.282   7.3485  346.129   9.4623 -38.84674 11.98065 
1 1 1    7   15   19 o  146.923   9.3420   75.438   9.4503   68.421   11.160   93.220   17.766  139.499   11.666  161.973   16.059 -22.47354 19.84944 
1 1 1    7   15   20 o   42.143   16.718   3.5045   7.2670   7.2067   10.245  -0.2450   10.310   52.811   20.155   43.905   18.860 8.905941 27.60326 
1 1 1    7   15   21 o  136.408   8.4248   65.167   7.9149   61.814   11.408   68.278   10.990  131.851   12.657  138.933   11.534 -7.082321 17.12375 
1 1 1    7   17    0 o  780.487   8.5337  2108.45   46.098   0.0000   0.0000  2108.45   46.098  ?   ?   780.487   8.5337 0.000000 8.533743 
1 1 1    7   17    1 o  2091.93   14.067 15152.54  203.668 14648.78  392.168 15338.59  238.329  2055.24   27.570  2104.53   16.362 -49.29468 32.05963 
1 1 1    7   17    2 o  1647.53   11.250  9397.10  128.280  8863.42  240.880  9608.37  151.559  1599.16   21.764  1665.82   13.145 -66.66504 25.42560 
1 1 1    7   17    3 o  1247.67   8.7592  5388.71   75.638  5304.84  105.307  5478.08  108.712  1237.73   12.293  1257.76   12.488 -20.03516 17.52348 
1 1 1    7   17    4 o  1101.88   7.8826  4203.15   60.114  4049.32   81.825  4383.54   88.609  1081.34   10.933  1125.05   11.380 -43.70813 15.78071 
1 1 1    7   17    5 o   84.549   7.6270   24.951   4.4151   23.015   6.4561   26.652   6.0513   80.638   11.928   87.127   10.230 -6.488350 15.71371 
1 1 1    7   17    6 o  1308.26   9.1421  5926.69   82.778  5904.89  116.608  5948.84  117.530  1305.44   12.906  1310.29   12.960 -4.842285 18.29010 
1 1 1    7   17    7 o  578.704   5.0475  1159.11   20.217  1172.79   28.915  1146.03   28.277  582.065   7.1775  575.386   7.1006 6.678833 10.09633 
1 1 1    7   17    8 o  955.428   7.0523  3159.70   46.634  3228.52   67.367  3096.36   64.621  965.660   10.080  945.698   9.8729 19.96191 14.10930 
1 1 1    7   17    9 o  960.075   7.0899  3190.40   47.111  3227.50   67.385  3154.94   65.890  965.540   10.084  954.630   9.9725 10.91010 14.18207 
1 1 1    7   17   10 o  819.887   7.3760  2326.76   41.856  2411.22   76.189  2290.26   50.092  834.428   13.192  813.388   8.8979 21.04016 15.91273 
1 1 1    7   17   11 o  1384.12   9.6645  6632.90   92.583  6793.72  134.316  6487.32  127.792  1400.44   13.857  1368.54   13.492 31.90942 19.34058 
1 1 1    7   17   12 o  624.546   5.4571  1350.09   23.589  1452.92   35.431  1268.22   31.614  647.822   7.9021  605.258   7.5467 42.56329 10.92690 
1 1 1    7   17   13 f  576.670   5.3075  1151.09   21.183  1213.36   31.272  1098.29   28.796  591.984   7.6326  563.222   7.3871 28.76160 10.62196 
1 1 1    7   17   14 o  798.291   7.2537  2206.80   40.077  2207.32   68.670  2206.53   49.355  797.862   12.435  798.103   8.9350 -0.2413330 15.31254 
1 1 1    7   17   15 o  274.975   5.2400  261.802   9.9724  264.101   14.526  259.753   13.715  276.095   7.6017  273.827   7.2368 2.267456 10.49554 
1 1 1    7   17   16 o  417.780   5.0189  604.454   14.512  584.876   20.380  624.593   20.670  410.801   7.1679  424.532   7.0347 -13.73053 10.04319 
1 1 1    7   17   17 o  259.494   5.4344  233.301   9.7601  236.915   14.094  229.971   13.529  261.333   7.7921  257.491   7.5917 3.842194 10.87888 
1 1 1    7   17   18 o  211.903   5.8667  155.675   8.6041  150.764   12.282  160.409   12.058  208.323   8.5180  214.922   8.1060 -6.599380 11.75858 
1 1 1    7   17   19 o   61.762   16.721   13.907   7.3232   21.148   10.403   6.7930   10.311   75.754   19.668   52.524   20.178 23.22927 28.17768 
1 1 1    7   17   20 o  177.862   8.5129  110.196   10.479  109.897   12.574  110.878   18.963  177.059   10.305  176.381   15.698 0.6778870 18.77795 
1 1 1    7   17   21 o  190.001   6.7629  125.625   8.8933  129.005   12.628  122.299   12.527  192.022   9.5017  186.670   9.7297 5.351379 13.59961 
1 1 1    7   19    0 o  1511.00   12.001  7905.14  125.501  7600.00  208.163  8079.39  157.305  1480.81   20.311  1527.34   14.881 -46.52991 25.17871 
1 1 1    7   19    1 o  992.928   14.516  3414.63   99.754  3414.63   99.754   0.0000   0.0000  992.928   14.516  ?   ?  0.000000 14.51565 
1 1 1    7   19    2 f  1239.88   10.104  5322.42   86.705  4870.73  136.869  5625.21  112.059  1185.61   16.680  1274.48   12.704 -88.86584 20.96652 
1 1 1    7   19    3 o  1613.57   12.788  9018.68  142.809  8243.90  223.895  9550.09  185.425  1541.45   20.986  1659.96   16.140 -118.5074 26.47490 
1 1 1    7   19    4 o  242.340   4.4639  203.265   7.4871  196.888   10.430  210.046   10.755  238.491   6.3185  246.331   6.3082 -7.840591 8.928446 
1 1 1    7   19    5 o  319.670   4.2778  353.682   9.4645  339.611   13.314  368.056   13.457  313.222   6.1416  326.078   5.9626 -12.85632 8.559910 
1 1 1    7   19    6 o  718.851   5.7259  1788.62   28.488  1735.72   39.404  1846.55   41.233  708.067   8.0407  730.319   8.1575 -22.25250 11.45414 
1 1 1    7   19    7 o  170.837   5.1015  101.011   6.0320   99.512   9.6352  101.977   7.7353  169.546   8.2110  171.644   6.5114 -2.097794 10.47944 
1 1 1    7   19    8 o  1636.72   11.206  9275.47  126.945  9481.16  183.924  9088.33  175.431  1654.30   16.064  1619.71   15.649 34.58728 22.42634 
1 1 1    7   19    9 o  1470.86   10.174  7489.80  103.576  7661.50  150.032  7333.46  143.165  1487.31   14.575  1455.15   14.215 32.15857 20.35931 
1 1 1    7   19   10 o  282.614   6.2483  276.445   12.222   0.0000   0.0000  276.445   12.222  ?   ?   282.614   6.2483 0.000000 6.248342 
1 1 1    7   19   11 o  1224.56   10.074  5192.21   85.382  5463.42  157.002  5078.32  101.743  1255.35   18.070  1210.90   12.140 44.44629 21.76959 
1 1 1    7   19   12 o  526.552   5.0911  959.649   18.554  999.248   27.302  925.669   25.291  537.252   7.3424  517.101   7.0666 20.15094 10.19055 
1 1 1    7   19   13 o  791.158   6.2983  2166.91   34.487  2370.93   52.960  2016.69   45.444  827.382   9.2483  763.115   8.6041 64.26636 12.63179 
1 1 1    7   19   14 o  268.357   5.1968  249.310   9.6523  250.432   14.049  248.307   13.284  268.902   7.5488  267.769   7.1678 1.132965 10.40965 
1 1 1    7   19   15 o  305.555   5.0436  323.274   10.666  312.860   15.151  333.507   15.019  300.501   7.2846  310.273   6.9937 -9.771332 10.09835 
1 1 1    7   19   16 o  160.760   6.8875   89.566   7.6633   94.045   10.954   85.273   10.725  164.329   9.6737  156.419   9.9584 7.909378 13.88349 
1 1 1    7   19   17 o  398.786   4.9946  550.917   13.785  534.182   19.199  568.728   19.806  392.475   7.0679  404.967   7.0666 -12.49231 9.994557 
1 1 1    7   19   18 o  262.786   6.3621  239.516   11.571  237.561   21.814  240.281   13.650  260.943   12.079  263.090   7.4963 -2.146271 14.21576 
1 1 1    7   19   19 o  209.016   6.8615  151.706   9.9261  159.658   16.951  147.555   12.245  213.458   11.516  205.936   8.5913 7.521729 14.36766 
1 1 1    7   19   20 o  148.814   8.0110   77.322   8.2207   80.629   11.810   74.214   11.450  151.307   11.360  145.100   11.496 6.206833 16.16192 
1 1 1    7   19   21 o   47.408   18.553   5.2419   8.8398   2.4101   10.331   12.980   17.079   46.506   19.368   67.508   25.962 -21.00219 32.39037 
1 1 1    7   21    0 o  707.090   5.6839  1730.51   27.816  1697.61   38.705  1765.64   40.004  700.277   7.9858  714.167   8.0933 -13.88995 11.36983 
1 1 1    7   21    1 o  776.560   8.5348  2087.75   45.872  2087.75   45.872   0.0000   0.0000  776.560   8.5348  ?   ?  0.000000 8.534807 
1 1 1    7   21    2 o  293.118   4.3881  297.363   8.9021  298.390   18.058  297.033   10.232  293.567   8.8876  292.950   5.0464 0.6170959 10.22039 
1 1 1    7   21    3 o  311.615   4.9284  336.096   10.629  331.220   19.069  338.294   12.802  309.282   8.9085  312.620   5.9170 -3.338074 10.69450 
1 1 1    7   21    4 o  1189.25   8.4199  4897.14   69.304  4741.46  134.867  4953.00   80.786  1169.22   16.666  1195.90   9.7603 -26.67297 19.31366 
1 1 1    7   21    5 o  850.434   7.4792  2503.80   44.022  2509.76   77.433  2500.96   53.512  851.094   13.145  849.871   9.0975 1.223633 15.98630 
1 1 1    7   21    6 o  630.846   6.0417  1377.47   26.379  1300.00   43.066  1423.99   33.372  612.734   10.155  641.373   7.5179 -28.63965 12.63508 
1 1 1    7   21    7 o  917.664   6.8369  2914.81   43.423  2884.45   60.947  2946.11   61.882  912.773   9.6475  922.475   9.6924 -9.702209 13.67540 
1 1 1    7   21    8 o  387.327   4.4057  519.202   11.811  569.401   17.674  478.701   15.875  405.603   6.2960  371.899   6.1677 33.70380 8.813616 
1 1 1    7   21    9 o  570.160   5.0686  1125.08   20.001  1141.11   28.752  1110.06   27.842  574.175   7.2352  566.312   7.1034 7.862854 10.13938 
1 1 1    7   21   10 o  985.401   8.3403  3361.36   56.881  3375.30   70.398  3335.12   96.544  987.358   10.302  981.242   14.216 6.115906 17.55598 
1 1 1    7   21   11 o  747.378   5.9914  1933.40   30.992  2060.51   46.367  1830.76   41.667  771.462   8.6840  727.195   8.2787 44.26697 11.99788 
1 1 1    7   21   12 o  445.514   5.6912  687.037   17.549  718.049   34.128  675.889   20.461  455.306   10.830  441.863   6.6905 13.44275 12.72992 
1 1 1    7   21   13 o  269.976   6.7948  252.354   12.696   0.0000   0.0000  252.354   12.696  ?   ?   269.976   6.7948 0.000000 6.794815 
1 1 1    7   21   14 o  532.494   5.1487  981.660   18.975  1060.17   28.522  919.320   25.416  553.248   7.4487  515.208   7.1276 38.04077 10.30951 
1 1 1    7   21   15 o  316.293   5.9608  346.497   13.049  362.719   15.742  310.878   23.327  323.557   7.0297  299.264   11.262 24.29346 13.27606 
1 1 1    7   21   16 o  377.712   5.5221  494.213   14.436  482.778   18.030  514.634   24.094  373.203   6.9804  385.106   9.0398 -11.90341 11.42117 
1 1 1    7   21   17 o  235.803   5.5172  192.681   9.0042  195.408   12.933  190.115   12.544  237.298   7.8743  234.073   7.7430 3.224823 11.04349 
1 1 1    7   21   18 o  110.280   9.5209   42.621   7.1957   25.864   10.485   57.541   9.8933   84.021   18.528  127.982   11.285 -43.96068 21.69407 
1 1 1    7   21   19 o  129.136   10.181   58.521   9.0260   55.707   18.321   59.422   10.372  122.825   22.377  129.855   11.665 -7.030159 25.23452 
1 1 1    7   21   20 o  199.812   6.3643  138.720   8.8014  134.801   12.676  142.368   12.230  196.519   9.3194  202.063   8.7454 -5.544250 12.78016 
1 1 1    7   23    0 o  720.952   11.608  1800.49   57.921   0.0000   0.0000  1800.49   57.921  ?   ?   720.952   11.608 0.000000 11.60796 
1 1 1    7   23    1 o  669.315   11.057  1551.71   51.222  1551.71   51.222   0.0000   0.0000  669.315   11.057  ?   ?  0.000000 11.05740 
1 1 1    7   23    2 o  442.554   5.2085  677.911   15.954  667.577   19.546  698.537   27.614  439.143   6.4308  449.144   8.8831 -10.00095 10.96652 
1 1 1    7   23    3 f  774.066   7.0627  2074.31   37.838  1857.56   59.806  2218.98   48.859  732.250   11.801  800.515   8.8186 -68.26532 14.73171 
1 1 1    7   23    4 f  821.057   7.3153  2333.77   41.570  2179.02   68.384  2424.47   52.354  793.085   12.458  836.777   9.0400 -43.69244 15.39249 
1 1 1    7   23    5 o  858.441   6.5213  2550.80   38.745  2917.07   89.505  2466.33   42.981  917.589   14.094  844.080   7.3573 73.50873 15.89843 
1 1 1    7   23    6 o  1674.16   11.442  9705.61  132.574  9502.44  260.237  9776.81  154.065  1654.96   22.720  1680.10   13.249 -25.14050 26.30079 
1 1 1    7   23    7 o  584.456   7.1715  1182.35   29.010   0.0000   0.0000  1182.35   29.010  ?   ?   584.456   7.1715 0.000000 7.171546 
1 1 1    7   23    8 o   84.718   7.1962   25.021   4.1795   28.005   6.2830   22.653   5.5976   89.342   10.353   80.229   10.320 9.113052 14.61789 
1 1 1    7   23    9 o  522.847   9.1227  946.341   33.012   0.0000   0.0000  946.341   33.012  ?   ?   522.847   9.1227 0.000000 9.122691 
1 1 1    7   23   10 o  998.412   7.3628  3450.55   50.878  3669.13   76.437  3276.68   68.173  1029.39   10.729  972.810   10.125 56.57605 14.75227 
1 1 1    7   23   11 o  452.460   6.5839  708.651   20.618   0.0000   0.0000  708.651   20.618  ?   ?   452.460   6.5839 0.000000 6.583928 
1 1 1    7   23   12 o  792.751   7.1416  2175.76   39.184  2479.02   74.633  2060.35   46.040  845.793   12.749  771.363   8.6237 74.42993 15.39206 
1 1 1    7   23   13 o  140.061   17.760   69.220   16.829   0.0000   0.0000   69.220   16.829  ?   ?   140.061   17.760 0.000000 17.76001 
1 1 1    7   23   14 o   95.205   9.5054   31.730   6.1796   28.466   9.7812   33.899   7.9722   89.077   16.472   98.120   11.989 -9.042664 20.37301 
1 1 1    7   23   15 o  165.574   6.3286   94.971   7.2524   96.490   11.007   93.807   9.6406  166.503   9.5925  164.266   8.5089 2.236984 12.82252 
1 1 1    7   23   16 o  423.678   5.8484  621.949   17.149  647.587   20.942  569.756   29.880  432.207   7.0008  404.931   10.662 27.27603 12.75467 
1 1 1    7   23   17 o  174.665   6.2749  105.774   7.5856  114.286   10.906   97.796   10.558  181.401   8.6865  167.527   9.1403 13.87453 12.60955 
1 1 1    7   23   18 o  257.630   5.9029  230.190   10.525  242.634   17.719  223.404   13.084  264.015   9.6968  253.641   7.4532 10.37465 12.23018 
1 1 1    7   23   19 o   84.534   11.824   25.477   6.7287   30.880   10.123   21.200   9.0060   92.152   16.477   75.876   17.506 16.27576 24.04065 
1 1 1    7   23   20 o  107.736   11.750   41.209   8.6190   68.195   17.825   32.975   9.8466  136.506   19.414   95.299   15.458 41.20725 24.81679 
1 1 1    7   25    0 o  1254.08   10.212  5446.90   88.640  5185.37  145.490  5601.28  111.781  1222.69   17.193  1271.44   12.703 -48.75500 21.37619 
1 1 1    7   25    1 o  1241.24   10.099  5335.83   86.761  5237.89  104.282  5556.10  156.384  1229.57   12.254  1265.54   17.854 -35.97546 21.65476 
1 1 1    7   25    2 o  736.229   5.8658  1876.22   29.889  1846.60   41.610  1907.79   42.962  730.305   8.2322  742.300   8.3623 -11.99500 11.73445 
1 1 1    7   25    3 o  751.676   5.9641  1955.74   31.028  1926.34   61.927  1965.60   35.853  745.734   11.998  753.538   6.8745 -7.803589 13.82814 
1 1 1    7   25    4 o  683.128   5.6017  1615.21   26.485  1573.66   53.122  1628.96   30.553  674.091   11.386  686.008   6.4350 -11.91711 13.07885 
1 1 1    7   25    5 o  541.853   10.329  1016.59   38.737  1016.59   38.737   0.0000   0.0000  541.853   10.329  ?   ?  0.000000 10.32934 
1 1 1    7   25    6 o  940.199   6.9719  3059.70   45.368  2942.93   89.132  3100.54   52.707  921.786   13.971  946.419   8.0465 -24.63269 16.12244 
1 1 1    7   25    7 o  541.958   4.9283  1016.53   18.486  1008.78   39.599  1018.69   20.903  539.795   10.599  542.526   5.5669 -2.730774 11.97238 
1 1 1    7   25    8 o  288.074   4.2507  287.200   8.4750  284.585   21.439  287.685   9.2266  286.703   10.804  288.315   4.6238 -1.611511 11.75191 
1 1 1    7   25    9 o  1288.33   10.544  5746.77   94.015  5790.15  115.924  5663.42  160.695  1293.02   12.954  1278.32   18.163 14.70227 22.30903 
1 1 1    7   25   10 o  246.001   5.6654  209.460   9.6459  223.783   11.165  167.317   19.152  254.267   6.3447  219.419   12.665 34.84813 14.16560 
1 1 1    7   25   11 o  907.834   7.8579  2853.36   49.373  3184.39   93.420  2725.06   58.159  958.570   14.081  887.099   9.4726 71.47162 16.97092 
1 1 1    7   25   12 f  420.307   5.6110  611.521   16.322  627.317   32.328  606.116   18.910  425.520   10.977  418.423   6.5297 7.096832 12.77211 
1 1 1    7   25   13 o  315.004   6.4145  343.577   13.985   0.0000   0.0000  343.577   13.985  ?   ?   315.004   6.4145 0.000000 6.414502 
1 1 1    7   25   14 f  227.306   6.0738  178.938   9.5553  180.585   21.695  178.541   10.643  227.571   13.840  227.033   6.7734 0.5375824 15.40854 
1 1 1    7   25   15 f  274.018   4.9324  260.024   9.3544  264.325   13.742  256.311   12.769  276.166   7.1898  271.969   6.7838 4.196594 9.885013 
1 1 1    7   25   16 o  152.641   6.5387   80.764   6.9079   91.252   10.556   72.908   9.1355  161.829   9.4661  144.624   9.1742 17.20499 13.18231 
1 1 1    7   25   17 o  200.989   8.3255  140.292   11.581  151.561   15.082  124.098   18.080  208.431   10.488  187.923   14.001 20.50800 17.49381 
1 1 1    7   25   18 o   99.215   10.028   34.634   6.7913   28.733   10.154   39.411   9.1355   88.829   17.136  105.401   12.785 -16.57185 21.37995 
1 1 1    7   25   19 o  109.990   9.1111   42.445   6.8734   50.162   10.174   35.965   9.3229  118.967   12.545  100.240   13.804 18.72676 18.65303 
1 1 1    7   25   20 o   59.693   16.311   13.109   6.9305   11.990   9.9438   14.167   9.6645   59.371   20.216   62.810   19.857 -3.439102 28.33640 
1 1 1    7   27    0 o  749.719   8.4242  1946.01   43.712  1946.01   43.712   0.0000   0.0000  749.719   8.4242  ?   ?  0.000000 8.424150 
1 1 1    7   27    1 o  1304.98   9.1644  5896.39   82.772  5630.66  111.366  6224.36  123.722  1274.93   12.621  1340.38   13.336 -65.45203 18.36158 
1 1 1    7   27    2 o  561.492   5.9158  1091.25   22.990  1047.32   39.018  1114.62   28.454  549.958   10.251  567.442   7.2451 -17.48370 12.55260 
1 1 1    7   27    3 f  1243.61   8.7744  5354.26   75.523  5272.48  105.120  5441.51  108.576  1233.83   12.310  1253.43   12.516 -19.60327 17.55500 
1 1 1    7   27    4 f  1044.06   8.7483  3773.68   63.216   0.0000   0.0000  3773.68   63.216  ?   ?   1044.06   8.7483 0.000000 8.748348 
1 1 1    7   27    5 o  363.720   5.3390  457.864   13.440  409.707   23.623  480.912   16.343  344.008   9.9219  372.753   6.3348 -28.74448 11.77176 
1 1 1    7   27    6 o  594.938   6.1006  1225.05   25.120  1225.37   45.472  1224.92   30.136  594.914   11.044  594.885   7.3194 0.2862549E-01 13.24897 
1 1 1    7   27    7 o  433.564   4.5623  650.561   13.690  685.366   31.334  642.349   15.220  444.939   10.175  430.815   5.1044 14.12476 11.38358 
1 1 1    7   27    8 o  1447.50   11.607  7254.88  116.288  7312.19  204.524  7227.50  141.361  1452.35   20.347  1444.57   14.139 7.785400 24.77697 
1 1 1    7   27    9 f  719.482   8.5942  1792.06   42.796  1799.02   61.133  1785.37   59.931  720.738   12.255  718.005   12.060 2.732422 17.19397 
1 1 1    7   27   10 o  397.767   7.4123  547.720   20.406  531.219   29.465  562.927   28.287  391.650   10.870  403.189   10.137 -11.53900 14.86338 
1 1 1    7   27   11 o  770.005   9.0024  2053.14   47.977  2185.37   71.773  1946.34   64.506  794.124   13.059  749.486   12.435 44.63770 18.03234 
1 1 1    7   27   12 o  582.705   11.105  1176.58   44.787   0.0000   0.0000  1176.58   44.787  ?   ?   582.705   11.105 0.000000 11.10514 
1 1 1    7   27   13 o   81.129   8.5224   23.054   4.7139   27.412   7.5980   20.327   6.0104   87.966   12.860   75.651   11.870 12.31492 17.50037 
1 1 1    7   27   14 o   63.257   12.430   14.379   5.2479   16.722   8.4229   12.893   6.7093   68.016   17.716   59.819   15.924 8.196484 23.82085 
1 1 1    7   27   15 o  104.067   9.4061   37.888   6.7016   27.537   17.989   39.556   7.2214   88.024   26.976  106.287   9.9318 -18.26317 28.74647 
1 1 1    7   27   16 o  156.073   9.6504   84.946   10.373   84.946   10.373   0.0000   0.0000  156.073   9.6504  ?   ?  0.000000 9.650396 
1 1 1    7   27   17 o  151.445   6.5023   79.554   6.8155   75.262   10.322   82.872   9.0754  146.702   10.230  154.208   8.5364 -7.506424 13.32353 
1 1 1    7   27   18 o   95.218   13.677   32.412   8.7547   31.196   10.101   36.083   17.553   92.782   16.325   98.064   25.591 -5.281807 30.35492 
1 1 1    7   27   19 o   70.830   13.980   18.258   6.6098   3.8349   9.9649   29.590   8.8325   47.862   19.374   90.524   14.594 -42.66142 24.25565 
1 1 1    7   27   20 o  207.962   6.1198  150.337   8.8084  149.741   12.467  150.931   12.446  207.077   8.6990  207.909   8.6496 -0.8318329 12.26734 
1 1 1    7   29    0 o  1132.47   8.1321  4439.70   63.739  4328.02   87.779  4564.27   92.705  1117.95   11.345  1148.04   11.667 -30.08569 16.27342 
1 1 1    7   29    1 o  674.249   6.4769  1573.56   30.225  1475.12   49.241  1633.06   38.286  652.690   10.900  686.839   8.0539 -34.14954 13.55300 
1 1 1    7   29    3 o  821.682   7.3088  2337.02   41.565  2195.12   67.510  2423.65   52.748  796.166   12.251  836.715   9.1085 -40.54871 15.26643 
1 1 1    7   29    4 o  960.642   8.2445  3194.46   54.815  3130.24   94.101  3227.43   67.438  950.659   14.302  965.518   10.092 -14.85846 17.50394 
1 1 1    7   29    5 o  492.994   5.7067  841.175   19.472  794.634   34.151  863.591   23.702  479.092   10.299  499.505   6.8559 -20.41330 12.37260 
1 1 1    7   29    6 o  465.755   5.5998  750.783   18.051  706.829   32.285  770.772   21.772  451.851   10.324  471.903   6.6661 -20.05194 12.28877 
1 1 1    7   29    7 o  922.498   14.103  2947.32   90.042  2947.32   90.042   0.0000   0.0000  922.498   14.103  ?   ?  0.000000 14.10271 
1 1 1    7   29    8 o  1062.33   7.7287  3906.53   56.825  4009.27  118.477  3875.84   64.761  1075.72   15.913  1058.11   8.8431 17.61475 18.20523 
1 1 1    7   29    9 o  535.046   7.6848  991.011   28.458  989.756   40.841  992.195   39.676  534.609   11.038  535.279   10.709 -0.6694336 15.37932 
1 1 1    7   29   10 o  759.887   12.522  2000.49   65.857   0.0000   0.0000  2000.49   65.857  ?   ?   759.887   12.522 0.000000 12.52198 
1 1 1    7   29   11 o  168.234   11.542   98.524   13.358  115.659   19.869   84.390   18.046  181.912   15.942  155.019   17.104 26.89371 23.38158 
1 1 1    7   29   12 o  688.510   8.5235  1641.97   40.617  1699.51   59.482  1591.71   55.596  700.126   12.275  677.600   11.855 22.52594 17.06511 
1 1 1    7   29   13 f  441.779   7.5084  676.108   22.958  674.146   32.554  678.049   32.382  440.901   10.668  442.182   10.581 -1.281921 15.02535 
1 1 1    7   29   14 o  103.242   6.9625   37.100   4.9460   32.461   7.4643   40.732   6.6040   96.011   11.459  108.012   8.9136 -12.00069 14.51779 
1 1 1    7   29   15 o  140.782   5.8399   68.669   5.6902   73.540   8.9831   65.406   7.3537  145.296   8.9770  137.113   7.7811 8.183167 11.87991 
1 1 1    7   29   16 o  149.067   6.3828   77.041   6.5852   69.610   11.310   80.852   8.0998  140.910   11.703  152.452   7.7014 -11.54269 14.00953 
1 1 1    7   29   17 o  220.934   5.1767  169.184   7.9158  162.588   11.803  174.575   10.671  216.359   7.8823  224.291   6.8743 -7.932159 10.45879 
1 1 1    7   29   18 o   46.013   15.608   6.9452   5.9276   3.5673   8.9327   9.6028   7.9234   45.684   18.396   53.623   18.046 -7.938725 25.76953 
1 1 1    7   29   19 o   59.825   15.674   13.140   6.5678   13.060   9.1601   13.224   9.4221   60.727   19.346   61.196   19.634 -0.4691849 27.56321 
1 1 1    7   31    0 o  566.452   5.1765  1110.52   20.294  1095.31   28.243  1126.76   29.181  562.527   7.2543  570.543   7.3898 -8.016052 10.35533 
1 1 1    7   31    1 o  808.402   7.2791  2262.06   40.727  2221.88   49.136  2350.24   72.797  801.146   8.8616  823.809   12.768 -22.66309 15.54157 
1 1 1    7   31    2 o  1527.58   12.155  8080.36  128.510  7819.51  214.297  8226.84  160.590  1501.83   20.617  1541.10   15.056 -39.27295 25.52896 
1 1 1    7   31    3 o  1062.70   8.9355  3909.40   65.721  3771.22  110.529  3984.97   81.741  1043.42   15.305  1072.83   11.009 -29.40967 18.85310 
1 1 1    7   31    4 o  1297.47   9.1227  5827.46   81.921  5647.69  112.124  6033.31  119.983  1277.10   12.685  1319.95   13.134 -42.84998 18.25931 
1 1 1    7   31    5 o  696.798   6.6855  1680.49   32.241  1658.54   56.596  1691.03   39.230  692.108   11.815  698.953   8.1094 -6.845154 14.33027 
1 1 1    7   31    6 o  466.787   6.9474  754.167   22.445  632.683   31.039  887.317   32.495  427.489   10.491  506.281   9.2735 -78.79242 14.00185 
1 1 1    7   31    7 o  1137.42   8.1721  4478.38   64.333  4285.37  125.092  4547.79   75.014  1112.15   16.251  1146.15   9.4563 -33.99475 18.80235 
1 1 1    7   31    8 o  654.721   5.5092  1483.65   24.965  1552.68   54.710  1465.49   28.056  669.583   11.805  650.688   6.2298 18.89484 13.34840 
1 1 1    7   31    9 o  1235.42   17.732  5292.68  151.614   0.0000   0.0000  5292.68  151.614  ?   ?   1235.42   17.732 0.000000 17.73162 
1 1 1    7   31   10 o  200.409   10.150  139.463   14.032  147.707   20.255  131.854   19.459  205.934   14.300  194.487   14.562 11.44714 20.40878 
1 1 1    7   31   11 f  151.913   12.048   80.484   12.564   78.098   18.476   82.537   17.135  148.852   18.320  153.352   16.399 -4.499847 24.58768 
1 1 1    7   31   12 o  332.249   7.8789  382.368   18.118  397.122   26.498  369.415   24.829  338.430   11.313  326.428   10.990 12.00192 15.77178 
1 1 1    7   31   13 o  440.017   7.6124  670.864   23.183  691.219   33.752  652.683   31.898  446.344   10.926  433.754   10.625 12.59012 15.24030 
1 1 1    7   31   14 o  327.958   7.8937  372.889   17.918  369.512   25.984  375.951   24.740  326.133   11.511  329.032   10.864 -2.899231 15.82846 
1 1 1    7   31   15 o  335.256   10.861  390.732   25.202   0.0000   0.0000  390.732   25.202  ?   ?   335.256   10.861 0.000000 10.86143 
1 1 1    7   31   16 o  103.176   8.2585   37.199   5.8479   39.656   6.2989   21.859   15.739  106.506   8.6189   78.975   25.379 27.53073 26.80281 
1 1 1    7   31   17 o  163.977   6.6045   93.309   7.4955   94.158   8.1612   88.732   18.947  164.682   7.1603  157.638   17.671 7.044327 19.06619 
1 1 1    7   31   18 o  104.441   13.657   38.937   9.6355   31.514   11.179   60.390   19.005   92.720   18.069  127.913   22.277 -35.19224 28.68357 
1 1 1    7   31   19 o  105.249   10.155   39.093   7.3055   43.556   7.9115   13.263   19.033  111.091   10.411   70.359   27.309 40.73226 29.22641 
1 1 1    7   33    0 o  934.596   7.0220  3023.28   45.422  2909.23   61.795  3157.32   66.991  916.717   9.7396  954.990   10.135 -38.27289 14.05660 
1 1 1    7   33    1 o  427.473   6.8496  632.474   20.265   0.0000   0.0000  632.474   20.265  ?   ?   427.473   6.8496 0.000000 6.849609 
1 1 1    7   33    2 o  405.796   4.7804  569.902   13.426  554.910   18.734  585.734   19.252  400.405   6.7600  411.376   6.7617 -10.97049 9.561297 
1 1 1    7   33    3 o  245.024   5.0389  207.780   8.5451  211.704   12.014  203.764   12.156  247.315   7.0188  242.631   7.2391 4.683609 10.08306 
1 1 1    7   33    4 o  178.882   7.2186  110.756   8.9371  104.585   17.241  113.023   10.451  173.168   14.519  180.698   8.3564 -7.529968 16.75222 
1 1 1    7   33    5 o  1016.23   8.6599  3574.89   60.909  3437.56  102.514  3649.82   75.724  996.234   14.868  1026.75   10.656 -30.51581 18.29204 
1 1 1    7   33    6 o  798.633   7.2898  2207.71   40.294  2181.46   70.503  2220.45   49.104  793.675   12.835  800.888   8.8586 -7.212341 15.59500 
1 1 1    7   33    7 o  853.676   6.5520  2522.50   38.712  2461.95   77.947  2542.32   44.601  843.073   13.359  856.994   7.5195 -13.92096 15.32946 
1 1 1    7   33    8 o  880.293   6.7108  2682.40   40.887  2565.85   81.030  2722.20   47.358  860.584   13.604  886.761   7.7162 -26.17688 15.64019 
1 1 1    7   33    9 o  465.608   7.6168  750.543   24.545  700.000   33.546  808.781   36.009  449.559   10.781  483.230   10.767 -33.67059 15.23686 
1 1 1    7   33   10 o  596.489   8.0606  1232.01   33.277  1266.83   48.678  1201.46   45.595  604.660   11.632  588.882   11.187 15.77838 16.13826 
1 1 1    7   33   11 o  283.586   8.4157  278.550   16.518  285.610   23.998  272.195   22.769  287.022   12.081  280.214   11.740 6.807251 16.84574 
1 1 1    7   33   12 o  537.351   11.119  1001.46   41.352  1001.46   41.352   0.0000   0.0000  537.351   11.119  ?   ?  0.000000 11.11894 
1 1 1    7   33   14 o   80.590   20.439   23.658   11.417   21.668   17.278   25.200   15.212   80.137   26.646   83.756   24.613 -3.619148 36.27368 
1 1 1    7   33   15 o  288.427   11.861  289.610   23.677  289.610   23.677   0.0000   0.0000  288.427   11.861  ?   ?  0.000000 11.86059 
1 1 1    7   33   16 o  153.166   12.006   82.311   12.625   94.341   18.681   72.195   17.130  163.042   16.795  142.168   17.799 20.87439 24.47213 
1 1 1    7   33   17 o   92.288   8.5162   29.870   5.3782   28.375   5.6385   44.951   17.910   89.827   9.1991  109.775   24.222 -19.94778 25.91034 
1 1 1    7   33   18 o  153.747   6.6504   82.117   7.0767   85.312   7.6487   63.122   18.650  156.671   7.0538  131.005   21.301 25.66661 22.43825 
1 1 1    7   33   19 o  156.358   9.3083   85.729   10.028   84.452   11.492   89.805   20.528  154.836   10.791  156.774   19.329 -1.937622 22.13692 
1 1 1    7   35    0 o  410.523   4.8817  583.257   13.870  571.136   19.284  596.250   19.965  406.217   6.8591  415.051   6.9501 -8.833893 9.764748 
1 1 1    7   35    1 o  847.010   9.2489  2483.49   54.219  2377.07   73.221  2612.68   80.675  828.544   12.769  868.608   13.420 -40.06403 18.52360 
1 1 1    7   35    2 o  782.906   6.2495  2121.44   33.863  2039.97   46.091  2217.00   49.918  767.674   8.6748  800.282   9.0123 -32.60822 12.50899 
1 1 1    7   35    3 o  199.920   5.6889  138.329   7.8716  131.329   10.812  146.224   11.483  194.784   8.0199  205.533   8.0722 -10.74931 11.37885 
1 1 1    7   35    4 o  1158.68   8.3099  4647.23   66.640  4561.20   92.431  4740.36   96.166  1147.75   11.636  1170.06   11.875 -22.31055 16.62547 
1 1 1    7   35    5 o  314.521   5.2787  342.375   11.491  339.270   14.293  348.049   19.322  313.081   6.5963  317.082   8.8044 -4.000763 11.00125 
1 1 1    7   35    6 o  325.529   4.8238  366.758   10.868  361.268   23.791  368.205   12.217  323.009   10.642  326.166   5.4120 -3.156860 11.93913 
1 1 1    7   35    7 o  420.458   10.687  612.195   31.098  612.195   31.098   0.0000   0.0000  420.458   10.687  ?   ?  0.000000 10.68651 
1 1 1    7   35    8 o  297.514   12.198  306.634   25.118  306.634   25.118   0.0000   0.0000  297.514   12.198  ?   ?  0.000000 12.19849 
1 1 1    7   35    9 o  228.952   5.7441  181.451   9.1022  192.390   21.315  179.011   10.066  235.245   13.144  227.400   6.3959 7.845932 14.61740 
1 1 1    7   35   10 o  114.453   16.638   46.415   12.794   39.293   18.236   53.317   17.953  104.130   25.505  121.944   22.085 -17.81345 33.73823 
1 1 1    7   35   11 o  433.732   10.855  652.195   32.586  652.195   32.586   0.0000   0.0000  433.732   10.855  ?   ?  0.000000 10.85509 
1 1 1    7   35   12 o  457.003   7.5462  723.630   23.868  724.390   34.421  722.927   33.126  456.940   10.884  456.520   10.484 0.4199524 15.11215 
1 1 1    7   35   13 o  192.244   10.159  128.626   13.470  141.805   19.937  117.561   18.269  201.329   14.403  183.199   14.528 18.12943 20.45762 
1 1 1    7   35   14 o   91.725   23.853   30.820   15.285   0.0000   0.0000   30.820   15.285  ?   ?    91.725   23.853 0.000000 23.85290 
1 1 1    7   35   15 o   70.843   21.344   17.914   11.329   32.946   17.008   5.9268   15.188   94.528   25.437   59.386   23.961 35.14157 34.94524 
1 1 1    7   35   16 o  178.509   10.825  111.440   13.311   90.049   18.979  132.146   18.673  158.951   17.544  193.796   14.016 -34.84468 22.45537 
1 1 1    7   35   17 o   54.419   23.491  -0.6678   16.146  -0.6678   16.146   0.0000   0.0000   54.419   23.491  ?   ?  0.000000 23.49114 
1 1 1    7   35   18 o  141.951   13.583   71.557   13.182   71.268   18.527   71.854   18.758  139.751   19.701  140.272   19.878 -0.5207825 27.98706 
1 1 1    7   35   19 o  171.102   6.2123  101.800   7.3568   98.899   7.8359  123.366   21.366  168.578   6.7160  184.859   16.886 -16.28035 18.17250 
1 1 1    7   37    0 o  876.792   7.7687  2660.99   47.143  2577.07   78.880  2707.62   58.800  862.663   13.211  884.386   9.6064 -21.72351 16.33475 
1 1 1    7   37    1 o  706.703   5.8694  1728.54   28.708  1676.48   39.541  1786.58   41.749  695.934   8.2092  718.419   8.3963 -22.48517 11.74261 
1 1 1    7   37    2 o  515.935   5.1139  921.261   18.261  884.837   24.984  963.039   26.757  505.607   7.1396  527.474   7.3293 -21.86685 10.23195 
1 1 1    7   37    3 o  1080.59   7.8723  4041.90   58.876  3923.49   80.763  4176.20   86.012  1064.51   10.962  1098.24   11.316 -33.72925 15.75467 
1 1 1    7   37    4 o  314.021   5.4883  341.293   11.928  326.729   14.670  369.707   20.491  307.236   6.8990  326.792   9.0597 -19.55661 11.38743 
1 1 1    7   37    5 o  736.120   7.0016  1875.67   35.672  1826.83   61.751  1900.13   43.700  726.278   12.285  740.859   8.5226 -14.58063 14.95160 
1 1 1    7   37    6 o  366.027   5.7748  463.725   14.629  435.073   26.962  475.679   17.416  354.446   10.991  370.701   6.7881 -16.25479 12.91796 
1 1 1    7   37    7 f  706.653   6.7035  1728.60   32.786   0.0000   0.0000  1728.60   32.786  ?   ?   706.653   6.7035 0.000000 6.703503 
1 1 1    7   37    8 o  763.454   6.1268  2017.65   32.374  2095.12   69.333  1996.05   36.610  777.563   12.883  759.323   6.9662 18.24091 14.64609 
1 1 1    7   37    9 o  594.649   6.0937  1224.14   25.079  1018.54   42.293  1335.65   31.147  542.169   11.271  621.094   7.2456 -78.92462 13.39898 
1 1 1    7   37   10 o  334.573   7.8631  387.699   18.208  381.902   26.010  393.268   25.497  331.912   11.323  336.835   10.937 -4.922485 15.74218 
1 1 1    7   37   11 o  539.282   7.7661  1007.56   28.986  1027.32   41.803  989.268   40.228  544.222   11.098  534.072   10.883 10.14954 15.54398 
1 1 1    7   37   12 o  497.964   7.6276  859.364   26.288  865.854   37.621  853.171   36.749  499.463   10.883  495.815   10.709 3.648193 15.26828 
1 1 1    7   37   13 o  123.309   19.332   54.488   15.956   0.0000   0.0000   54.488   15.956  ?   ?   123.309   19.332 0.000000 19.33228 
1 1 1    7   37   14 o   52.018   20.651   5.1596   11.096  -1.6254   16.492   10.771   14.998   54.751   23.688   64.503   24.442 -9.752144 34.03675 
1 1 1    7   37   15 o  333.132   7.8125  385.258   18.013  365.171   25.452  405.415   25.496  323.762   11.358  341.246   10.795 -17.48376 15.67008 
1 1 1    7   37   16 f   53.052   23.017  -1.5205   15.660  -1.5205   15.660   0.0000   0.0000   53.052   23.017  ?   ?  0.000000 23.01715 
1 1 1    7   37   17 o   78.452   21.727   22.803   12.202   35.195   16.640   8.3902   17.946   96.658   24.763   64.947   26.101 31.71078 35.97873 
1 1 1    7   37   18 o   97.472   19.504   35.262   12.698   15.878   17.433   57.171   18.533   71.579   26.510  123.693   22.477 -52.11439 34.75569 
1 1 1    7   39    0 f  1023.87   7.5605  3628.69   53.576  3490.27   72.876  3791.50   79.035  1004.03   10.487  1046.44   10.913 -42.40955 15.13493 
1 1 1    7   39    1 o  670.589   5.7400  1556.42   26.640  1514.95   36.780  1602.19   38.640  661.547   8.0329  680.323   8.2062 -18.77679 11.48340 
1 1 1    7   39    2 o  1169.28   9.7140  4733.49   78.613  4656.08   94.510  4907.32  141.626  1159.56   11.776  1189.98   17.196 -30.42554 20.84177 
1 1 1    7   39    3 o  530.643   5.9460  974.611   21.838  951.814   26.451  1023.41   38.701  524.377   7.2881  543.669   10.285 -19.29236 12.60565 
1 1 1    7   39    4 o  926.469   8.0754  2971.44   51.781  2870.24   85.718  3029.58   64.977  910.252   13.606  935.397   10.037 -25.14490 16.90735 
1 1 1    7   39    5 o  647.932   5.6381  1453.09   25.284  1469.62   35.869  1436.76   35.645  651.545   7.9541  644.217   7.9945 7.327209 11.27744 
1 1 1    7   39    6 o  490.811   5.7096  833.824   19.395  787.805   30.521  864.999   25.120  476.986   9.2450  499.867   7.2609 -22.88031 11.75549 
1 1 1    7   39    7 o  460.622   5.0939  734.391   16.240  730.732   35.209  735.380   18.303  459.294   11.076  460.919   5.7374 -1.625519 12.47375 
1 1 1    7   39    8 o  519.591   5.1446  934.507   18.501  895.610   38.890  945.885   21.033  508.426   11.052  522.726   5.8137 -14.29996 12.48760 
1 1 1    7   39    9 o  701.194   5.8141  1702.19   28.216  1594.63   56.223  1738.40   32.622  678.214   11.978  708.566   6.6520 -30.35236 13.70089 
1 1 1    7   39   10 o  623.821   11.590  1349.76   50.039  1349.76   50.039   0.0000   0.0000  623.821   11.590  ?   ?  0.000000 11.58979 
1 1 1    7   39   11 o  204.313   9.8268  144.773   13.896  143.951   20.190  145.512   19.155  202.968   14.467  204.179   13.633 -1.211380 19.87843 
1 1 1    7   39   12 o   69.265   21.362   16.802   11.260  -0.9259   16.743   31.439   15.214   55.933   24.031   92.805   23.625 -36.87130 33.69955 
1 1 1    7   39   14 o  307.365   7.7977  327.844   16.588  359.463   24.523  301.171   22.523  321.400   11.024  294.182   11.062 27.21762 15.61730 
1 1 1    7   39   15 o  185.881   10.076  120.612   12.915  117.171   18.616  123.805   17.931  182.269   14.887  187.609   13.908 -5.339905 20.37317 
1 1 1    7   39   16 o  140.082   13.835   69.474   13.238   89.707   17.892   45.000   19.678  158.656   16.537  109.291   26.327 49.36510 31.09005 
1 1 1    7   39   17 o   47.625   20.420   0.0309   12.044   5.6341   17.114  -5.4683   16.954   61.119   25.142   51.928   23.176 9.190880 34.19454 
1 1 1    7   39   18 o   87.073   27.816   28.561   18.928   0.0000   0.0000   28.561   18.928  ?   ?    87.073   27.816 0.000000 27.81613 
1 1 1    7   41    0 f  1198.93   9.9439  4977.01   82.514  4758.54  136.662  5102.35  103.511  1171.73   16.852  1213.76   12.322 -42.02734 20.87604 
1 1 1    7   41    1 o  685.805   5.8466  1627.91   27.751  1560.60   37.829  1706.34   40.835  671.417   8.1406  702.060   8.4039 -30.64252 11.70020 
1 1 1    7   41    2 o  709.831   5.9542  1743.99   29.252  1656.59   39.482  1850.35   43.553  691.750   8.2466  731.074   8.6076 -39.32355 11.92050 
1 1 1    7   41    3 o  611.617   5.5487  1294.76   23.488  1249.70   32.078  1346.84   34.487  600.828   7.7139  623.735   7.9888 -22.90637 11.10522 
1 1 1    7   41    4 o  619.091   6.3528  1326.69   27.221  1289.89   32.852  1407.32   48.622  610.402   7.7761  637.454   11.021 -27.05206 13.48779 
1 1 1    7   41    5 o  218.661   5.9803  165.502   9.0504  177.743   12.582  152.380   13.028  226.580   8.0235  209.780   8.9728 16.79996 12.03694 
1 1 1    7   41    6 o  317.760   6.2072  349.530   13.651  348.146   26.078  350.052   16.022  316.997   11.886  317.979   7.2802 -0.9813843 13.93832 
1 1 1    7   41    7 o  359.050   6.0227  446.281   14.967  472.878   28.724  436.369   17.535  369.433   11.234  355.015   7.1365 14.41837 13.30904 
1 1 1    7   41    8 o  371.991   7.9360  479.228   20.432  428.341   27.222  544.878   30.920  351.555   11.188  396.500   11.267 -44.94507 15.87837 
1 1 1    7   41    9 o  589.795   6.0607  1204.49   24.740  1108.78   44.344  1247.74   29.811  565.467   11.331  600.221   7.1760 -34.75378 13.41187 
1 1 1    7   41   10 o  459.721   7.7269  732.278   24.585  754.634   35.301  711.219   34.260  466.395   10.936  452.780   10.933 13.61441 15.46347 
1 1 1    7   41   11 o  683.101   8.5350  1617.91   40.352  1626.34   57.542  1609.76   56.603  684.201   12.151  680.733   12.014 3.467834 17.08760 
1 1 1    7   41   12 o  224.698   9.2210  175.216   14.340  161.756   21.000  186.976   19.629  215.022   14.191  231.541   12.293 -16.51924 18.77510 
1 1 1    7   41   13 o  212.637   9.0100  156.993   13.260  170.683   19.458  145.122   18.119  220.979   12.777  203.679   12.920 17.30013 18.17040 
1 1 1    7   41   14 o  104.956   16.206   39.499   11.393   70.780   17.225   15.171   15.191  140.740   18.103   69.825   24.905 70.91535 30.78961 
1 1 1    7   41   15 o  144.017   16.834   74.000   16.463   74.000   16.463   0.0000   0.0000  144.017   16.834  ?   ?  0.000000 16.83415 
1 1 1    7   41   16 o   50.169   20.820   2.7161   11.878   10.917   16.178  -6.8732   17.494   65.384   25.233   52.023   23.357 13.36116 34.38411 
1 1 1    7   41   17 o  183.168   12.001  118.222   15.130  136.732   22.321  102.488   20.580  195.485   16.657  168.607   17.910 26.87787 24.45827 
1 1 1    7   43    0 o  677.230   5.8608  1587.51   27.471  1509.99   37.223  1680.23   40.710  660.420   8.1435  696.644   8.4434 -36.22400 11.73064 
1 1 1    7   43    1 o  1036.06   7.6834  3716.11   55.095  3574.87   74.921  3882.45   81.303  1016.00   10.654  1058.78   11.095 -42.77264 15.38235 
1 1 1    7   43    2 o  984.815   10.416  3358.74   70.996  3358.74   70.996   0.0000   0.0000  984.815   10.416  ?   ?  0.000000 10.41602 
1 1 1    7   43    3 o  1082.12   7.9378  4054.10   59.450  3915.51   81.063  4215.40   87.452  1063.24   11.016  1103.17   11.454 -39.92688 15.89136 
1 1 1    7   43    4 o  852.367   6.6697  2515.07   39.347  2449.41   54.157  2588.48   57.262  841.030   9.3040  864.558   9.5696 -23.52838 13.34693 
1 1 1    7   43    5 o  490.134   7.4121  831.730   25.144   0.0000   0.0000  831.730   25.144  ?   ?   490.134   7.4121 0.000000 7.412136 
1 1 1    7   43    6 o  307.766   5.1643  327.871   11.000  326.703   15.253  329.137   15.880  307.179   7.1744  308.315   7.4418 -1.136078 10.33697 
1 1 1    7   43    7 o  314.441   7.3355  342.380   15.964   0.0000   0.0000  342.380   15.964  ?   ?   314.441   7.3355 0.000000 7.335538 
1 1 1    7   43    8 o   97.257   11.277   33.236   7.4503   14.966   18.208   36.910   8.1651   73.569   27.122  102.503   11.720 -28.93436 29.54629 
1 1 1    7   43    9 o  391.636   4.8681  531.026   13.195  489.268   29.003  541.926   14.818  375.546   11.158  395.612   5.4117 -20.06635 12.40139 
1 1 1    7   43   10 o  178.501   5.1878  110.336   6.4092  173.951   20.573  103.499   6.7448  223.310   13.373  172.871   5.6373 50.43866 14.51249 
1 1 1    7   43   11 o  245.663   11.879  209.756   20.198   0.0000   0.0000  209.756   20.198  ?   ?   245.663   11.879 0.000000 11.87934 
1 1 1    7   43   12 o  216.804   9.3127  163.197   13.974  150.049   19.992  175.756   19.540  206.990   14.038  224.333   12.636 -17.34268 18.88782 
1 1 1    7   43   13 o  189.830   9.5524  125.546   12.510  142.293   18.708  112.000   16.825  201.482   13.494  178.608   13.716 22.87416 19.24057 
1 1 1    7   43   14 o   87.328   19.185   27.956   11.279   38.956   16.451   18.200   15.493  102.517   23.665   73.811   25.233 28.70579 34.59427 
1 1 1    7   43   15 o   47.823   20.084   1.5436   11.247  -1.5239   16.445   4.2390   15.415   54.295   23.572   57.666   23.807 -3.371334 33.50257 
1 1 1    7   43   16 o   46.807   20.258  -0.9075   12.070   14.176   16.755 -17.1805   17.403   69.444   25.935   45.678   21.482 23.76616 33.67668 
1 1 1    7   43   17 o   83.737   21.720   26.445   12.695   22.649   17.572   30.590   18.361   79.455   26.874   89.672   27.207 -10.21651 38.24210 
1 1 1    7   45    0 o  889.204   6.8998  2737.22   42.463  2649.49   58.104  2837.78   62.211  874.689   9.5978  905.214   9.9297 -30.52448 13.81005 
1 1 1    7   45    1 o  257.743   6.8018  229.974   12.134  219.788   14.721  251.561   21.430  251.946   8.4419  269.479   11.490 -17.53259 14.25773 
1 1 1    7   45    2 o  603.366   5.5903  1260.14   23.345  1236.91   32.375  1285.30   33.694  597.706   7.8261  609.280   7.9902 -11.57336 11.18441 
1 1 1    7   45    3 o  421.990   5.1667  616.384   15.090  608.158   20.917  625.311   21.791  419.119   7.2109  424.983   7.4083 -5.864044 10.33833 
1 1 1    7   45    4 o  509.812   7.3851  899.893   26.058  876.585   34.529  930.732   39.717  503.063   9.9170  518.308   11.072 -15.24500 14.86361 
1 1 1    7   45    5 f  381.870   5.1620  504.780   13.643  499.041   18.649  511.390   20.011  379.645   7.0973  384.300   7.5237 -4.655487 10.34300 
1 1 1    7   45    6 o  729.976   7.1474  1845.22   36.110  1854.63   64.726  1840.97   43.511  731.310   12.788  729.026   8.6235 2.284241 15.42384 
1 1 1    7   45    7 o  383.878   6.0159  510.247   15.984  475.756   28.602  525.908   19.274  370.419   11.157  389.679   7.1463 -19.26010 13.24910 
1 1 1    7   45    8 o  125.814   9.1036   55.153   7.8737   46.966   18.086   57.067   8.7459  113.802   23.731  127.907   9.9580 -14.10465 25.73563 
1 1 1    7   45    9 o  281.149   6.4176  273.812   12.488  294.341   23.660  265.885   14.702  291.160   11.741  276.991   7.6691 14.16904 14.02391 
1 1 1    7   45   10 o  259.264   5.2741  232.801   9.4639   0.0000   0.0000  232.801   9.4639  ?   ?   259.264   5.2741 0.000000 5.274134 
1 1 1    7   45   11 o  172.991   11.123  104.441   13.247   95.805   18.583  113.366   18.890  164.787   16.515  179.604   15.343 -14.81676 22.54287 
1 1 1    7   45   12 o   53.746   20.657   6.8980   10.809   20.576   15.141  -7.3171   15.436   77.035   24.907   48.537   21.853 28.49846 33.13450 
1 1 1    7   45   13 o  100.041   16.593   36.028   11.086   42.029   16.042   30.541   15.339  106.916   22.396   90.946   24.014 15.96996 32.83689 
1 1 1    7   45   14 o   97.046   17.387   34.171   11.249   54.878   16.349   15.551   15.503  122.937   19.894   70.328   25.152 52.60854 32.06850 
1 1 1    7   45   15 o   81.432   20.729   24.604   11.713   24.990   15.983   24.156   17.214   82.635   25.445   82.027   26.561 0.6079559 36.78225 
1 1 1    7   45   16 o  157.564   18.597   89.854   19.889   0.0000   0.0000   89.854   19.889  ?   ?   157.564   18.597 0.000000 18.59697 
1 1 1    7   47    0 o  418.282   6.0719  605.671   17.578  600.433   21.235  617.073   31.332  416.435   7.3676  422.044   10.726 -5.609375 13.01284 
1 1 1    7   47    1 o  173.554   11.545  104.830   13.789   0.0000   0.0000  104.830   13.789  ?   ?   173.554   11.545 0.000000 11.54547 
1 1 1    7   47    2 o  593.574   6.4978  1219.78   26.694  1187.32   45.790  1236.49   32.855  585.370   11.302  597.563   7.9439 -12.19336 13.81464 
1 1 1    7   47    3 o  824.490   7.5360  2353.89   43.003  2298.05   72.000  2384.85   53.618  814.183   12.777  829.760   9.3364 -15.57672 15.82472 
1 1 1    7   47    4 o  163.070   7.6452   92.089   8.6286   93.878   11.827   90.052   12.617  164.265   10.457  160.784   11.412 3.480270 15.47855 
1 1 1    7   47    5 o  308.855   5.3473  330.241   11.430  342.318   15.948  317.482   16.392  314.396   7.3290  302.760   7.8225 11.63586 10.71939 
1 1 1    7   47    6 o  253.308   6.6390  222.211   11.639  225.974   13.420  210.781   23.386  255.415   7.5913  246.024   13.790 9.391403 15.74112 
1 1 1    7   47    7 o  516.937   5.8684  925.385   20.996  906.242   25.689  963.903   36.439  511.469   7.2569  527.240   9.9858 -15.77182 12.34413 
1 1 1    7   47    8 o  274.978   5.5423  261.856   10.548  244.488   23.099  266.432   11.856  265.297   12.580  277.345   6.1766 -12.04840 14.01465 
1 1 1    7   47    9 o  475.708   5.1407  783.713   16.925  682.927   33.625  817.915   19.588  443.476   10.955  485.926   5.8243 -42.45044 12.40701 
1 1 1    7   47   10 o   80.609   10.856   22.980   5.9025   7.1902   16.017   25.461   6.3493   62.121   24.764   84.890   11.070 -22.76893 27.12619 
1 1 1    7   47   11 o  152.635   12.199   81.621   12.780   91.415   17.996   71.659   18.151  160.842   16.395  141.654   18.992 19.18803 25.09004 
1 1 1    7   47   12 o  224.548   9.0216  175.186   14.021  173.122   20.027  177.171   19.635  222.361   13.071  225.035   12.659 -2.674347 18.19556 
1 1 1    7   47   13 o  263.199   11.669  241.659   21.257  241.659   21.257   0.0000   0.0000  263.199   11.669  ?   ?  0.000000 11.66907 
1 1 1    7   47   14 o  143.701   12.754   72.837   12.553   83.805   17.669   61.659   17.838  153.180   16.950  130.116   20.485 23.06383 26.58859 
1 1 1    7   47   16 o   60.520   22.660   10.635   12.805   10.917   18.094   10.351   18.126   66.948   26.437   66.433   26.388 0.5156708 37.35250 
1 1 1    7   49    0 o  594.176   5.6336  1222.22   23.168  1233.08   32.635  1211.18   32.894  596.696   7.9023  591.367   8.0369 5.329346 11.27111 
1 1 1    7   49    1 o  606.529   5.6747  1273.58   23.821  1264.79   33.379  1282.72   34.007  604.310   7.9807  608.573   8.0737 -4.262817 11.35240 
1 1 1    7   49    2 o  516.225   5.3992  922.556   19.291  955.580   27.646  891.219   26.931  525.283   7.6043  507.281   7.6704 18.00128 10.80097 
1 1 1    7   49    3 o  250.205   5.9397  216.751   10.286  226.530   14.266  206.165   14.843  255.733   8.0603  243.945   8.7915 11.78751 11.92723 
1 1 1    7   49    4 o  435.985   5.2141  658.081   15.733  628.801   21.483  691.955   23.107  426.086   7.2848  446.962   7.4694 -20.87552 10.43365 
1 1 1    7   49    5 o  292.793   8.6505  297.074   17.530  304.244   24.545  289.610   25.045  296.120   11.976  288.875   12.527 7.245087 17.33039 
1 1 1    7   49    6 o   87.261   13.233   27.042   7.7411   20.034   9.4836   41.034   13.400   74.366   18.501  106.956   18.787 -32.59044 26.36780 
1 1 1    7   49    7 o  336.498   5.5794  392.142   12.994  375.073   20.054  404.495   17.060  328.905   8.8095  341.669   7.2143 -12.76367 11.38651 
1 1 1    7   49    8 o  455.317   6.1034  718.187   19.234  641.463   33.331  756.491   23.551  429.767   11.206  467.195   7.2833 -37.42880 13.36450 
1 1 1    7   49    9 o  147.235   8.7482   75.475   8.8746   0.0000   0.0000   75.475   8.8746  ?   ?   147.235   8.7482 0.000000 8.748209 
1 1 1    7   49   10 o   74.864   12.394   20.023   6.1971   13.185   15.846   21.258   6.7333   68.360   25.283   77.067   13.092 -8.706947 28.47164 
1 1 1    7   49   11 o   34.542   13.898   1.8978   5.0939   23.522   16.995  -0.2365   5.3393   81.943   26.377   31.806   13.615 50.13757 29.68399 
1 1 1    7   49   12 o  139.489   18.949   69.854   17.820   69.854   17.820   0.0000   0.0000  139.489   18.949  ?   ?  0.000000 18.94908 
1 1 1    7   49   13 o  209.681   9.7001  153.101   14.077  164.781   20.766  143.171   19.148  216.385   13.940  201.672   13.801 14.71303 19.61659 
1 1 1    7   49   14 o  184.842   10.938  119.767   13.931  105.268   20.753  131.658   18.794  171.428   17.749  193.021   14.167 -21.59352 22.70964 
1 1 1    7   49   15 o   60.565   22.301   10.993   12.304  -1.6366   18.198   21.629   16.700   56.545   24.670   78.039   26.199 -21.49380 35.98609 
1 1 1    7   51    0 o  437.013   6.1629  661.317   18.641  645.953   22.382  696.097   33.676  431.842   7.4885  448.061   10.859 -16.21896 13.19114 
1 1 1    7   51    1 o  783.897   6.4146  2127.98   34.802  2083.96   48.143  2176.15   50.367  775.492   8.9698  792.433   9.1835 -16.94128 12.83721 
1 1 1    7   51    2 o  536.412   5.4370  996.254   20.185  983.513   28.280  1009.49   28.820  532.834   7.6686  539.821   7.7138 -6.986511 10.87702 
1 1 1    7   51    3 o  583.717   6.4967  1180.04   26.247  1159.02   45.282  1190.68   32.209  578.026   11.319  586.226   7.9384 -8.199707 13.82519 
1 1 1    7   51    4 o  461.942   5.2482  738.873   16.779  714.580   23.136  765.830   24.372  454.160   7.3604  470.155   7.4897 -15.99487 10.50102 
1 1 1    7   51    5 o  649.968   5.8219  1463.09   26.190  1422.38   35.917  1509.30   38.271  640.630   8.1006  659.878   8.3797 -19.24792 11.65502 
1 1 1    7   51    6 o  421.290   5.1243  614.616   14.941  591.194   20.419  641.609   21.921  413.053   7.1427  430.287   7.3609 -17.23401 10.25673 
1 1 1    7   51    7 o  101.469   11.009   36.174   7.6073   45.400   9.4202   18.878   12.898  113.651   12.165   73.501   22.895 40.15008 25.92615 
1 1 1    7   51    8 o  192.667   6.5248  128.644   8.7006  119.707   12.282  137.645   12.327  185.453   9.6019  199.168   8.9425 -13.71518 13.12112 
1 1 1    7   51    9 o  153.048   8.0385   81.487   8.4851   76.585   18.507   82.791   9.5476  146.639   18.658  154.171   8.9868 -7.532135 20.70934 
1 1 1    7   51   10 o  171.534   8.7554  102.443   10.360  105.415   18.797  101.147   12.416  172.835   15.892  170.204   10.592 2.630829 19.09853 
1 1 1    7   51   11 o   76.403   10.754   20.718   5.5293   29.946   17.612   19.709   5.8237   90.397   26.461   74.312   11.711 16.08509 28.93673 
1 1 1    7   51   12 o  172.022   11.048  103.608   13.084   98.537   18.933  108.244   18.102  166.504   16.652  174.983   15.094 -8.478714 22.47524 
1 1 1    7   51   13 o  276.005   8.7151  265.118   16.648  286.341   24.995  248.195   22.320  285.952   12.629  266.352   12.108 19.60071 17.49544 
1 1 1    7   51   14 o  117.420   21.388   51.024   16.741   0.0000   0.0000   51.024   16.741  ?   ?   117.420   21.388 0.000000 21.38822 
1 1 1    7   51   15 o  147.271   14.062   77.357   14.159   57.366   20.657   95.073   19.446  122.587   25.189  162.116   17.615 -39.52896 30.73711 
1 1 1    7   53    0 o  410.268   5.3295  582.834   15.133  568.298   20.821  599.113   22.034  405.004   7.4279  415.824   7.6560 -10.82016 10.66717 
1 1 1    7   53    1 o  210.349   7.5676  153.307   11.017  166.976   17.652  144.586   14.101  219.029   11.687  204.185   9.9779 14.84431 15.36692 
1 1 1    7   53    2 o  298.696   5.5914  308.965   11.559  303.671   16.133  314.549   16.570  296.024   7.8743  301.276   7.9465 -5.251251 11.18709 
1 1 1    7   53    3 o  221.984   6.4173  170.692   9.8595  152.949   13.620  190.223   14.291  210.015   9.3704  234.239   8.8149 -24.22443 12.86491 
1 1 1    7   53    4 o  629.213   5.7509  1371.22   25.045  1366.31   35.257  1376.23   35.582  627.823   8.1140  630.092   8.1592 -2.268677 11.50692 
1 1 1    7   53    5 o  129.289   9.1621   58.271   8.1454   56.313   11.020   60.628   12.093  126.647   12.745  131.348   13.495 -4.701202 18.56217 
1 1 1    7   53    6 o  124.942   10.725   54.609   9.1841   50.808   10.423   67.805   19.422  120.206   12.722  137.513   21.079 -17.30674 24.62044 
1 1 1    7   53    7 o  358.422   5.1452  444.978   12.764  443.988   17.601  446.076   18.536  357.874   7.1063  358.681   7.4665 -0.8074036 10.30767 
1 1 1    7   53    8 o  249.565   5.5035  215.792   9.5060  210.223   12.720  222.837   14.307  246.200   7.4647  253.424   8.1567 -7.224335 11.05683 
1 1 1    7   53    9 o  207.107   7.4753  148.811   10.715  169.658   21.734  142.117   12.316  219.937   14.357  202.296   8.7963 17.64043 16.83719 
1 1 1    7   53   10 o  393.847   5.0727  537.512   13.827  495.122   29.422  549.529   15.665  376.998   11.276  398.156   5.6847 -21.15897 12.62781 
1 1 1    7   53   11 o  144.451   6.9212   72.420   6.9195   56.098   18.183   75.184   7.4825  123.800   22.028  147.155   7.3468 -23.35500 23.22106 
1 1 1    7   53   12 o  176.693   11.130  109.416   13.541  124.000   21.022   99.073   17.703  186.824   16.425  167.099   15.483 19.72511 22.57205 
1 1 1    7   53   13 o   55.431   23.511   1.6259   15.662   0.0000   0.0000   1.6259   15.662  ?   ?    55.431   23.511 0.000000 23.51146 
1 1 1    7   53   14 o   43.462   19.520  -4.9505   12.230  -7.4780   18.387  -2.9454   16.377   52.732   23.786   52.592   23.161 0.1395226 33.19951 
1 1 1    7   55    0 o  160.694   9.2094   89.852   10.200   91.220   16.577   89.018   12.939  161.193   15.032  159.664   11.793 1.528748 19.10554 
1 1 1    7   55    1 o  584.889   6.4708  1185.16   26.194  1194.59   31.960  1165.85   45.720  587.057   7.8659  579.431   11.400 7.625488 13.85075 
1 1 1    7   55    2 o  538.339   5.4372  1003.71   20.259  1016.05   28.674  991.415   28.626  541.423   7.6520  534.810   7.7337 6.613220 10.87948 
1 1 1    7   55    3 o  234.647   7.4739  190.842   12.138  207.902   22.804  184.098   14.337  244.092   13.552  230.381   8.9918 13.71149 16.26355 
1 1 1    7   55    4 o  177.876   8.1101  109.713   9.9844  110.543   12.415  108.195   16.799  178.163   10.110  175.755   13.924 2.407822 17.20742 
1 1 1    7   55    5 o  180.448   7.0466  112.868   8.8005  116.015   12.016  109.228   12.925  182.573   9.5425  177.016   10.599 5.556839 14.26147 
1 1 1    7   55    6 o   99.257   11.258   34.686   7.5970   47.630   10.291   19.183   11.262  116.246   13.014   73.055   21.095 43.19111 24.78684 
1 1 1    7   55    7 o   31.611   14.389  -4.3286   6.9159   0.5137   9.1335 -10.8359   10.588   42.552   17.996   35.921   16.849 6.631126 24.65268 
1 1 1    7   55    8 o  213.984   5.9735  158.716   8.8467  158.471   11.762  159.036   13.424  213.682   7.9533  213.970   9.0648 -0.2876740 12.05920 
1 1 1    7   55    9 o  175.706   6.9101  107.104   8.4033  109.951   12.112  104.462   11.668  177.521   9.8975  173.036   9.7832 4.484879 13.91660 
1 1 1    7   55   10 o  249.943   6.4267  216.724   11.117  232.244   23.033  212.009   12.694  257.443   12.968  247.107   7.4223 10.33568 14.94218 
1 1 1    7   55   11 o  216.762   5.6847  162.962   8.5284  153.463   21.915  164.657   9.2582  208.364   15.304  217.845   6.1405 -9.481583 16.48957 
1 1 1    7   55   12 o   52.791   21.524   4.3133   12.404  -1.0424   19.839   7.7512   15.895   59.748   25.915   61.647   24.639 -1.899323 35.75797 
1 1 1    7   55   13 o  139.073   14.692   69.033   13.927   98.146   22.529   51.024   17.719  164.097   20.267  116.789   22.739 47.30856 30.45964 
1 1 1    7   57    0 o  526.395   5.4509  959.797   19.859  956.381   27.861  963.326   28.314  525.216   7.6644  527.107   7.7611 -1.891174 10.90773 
1 1 1    7   57    1 f   80.068   15.251   23.083   8.1427   20.438   11.143   26.114   11.928   75.181   20.740   84.632   20.566 -9.450996 29.20791 
1 1 1    7   57    2 o  223.667   7.4726  173.440   11.568  178.925   13.825  160.634   21.124  227.096   8.7959  214.256   14.327 12.83968 16.81203 
1 1 1    7   57    3 o   84.652   19.232   26.096   11.011   26.096   11.011   0.0000   0.0000   84.652   19.232  ?   ?  0.000000 19.23155 
1 1 1    7   57    4 o  324.816   5.3550  365.491   12.039  365.625   16.990  365.356   17.060  324.706   7.5602  324.584   7.5941 0.1222229 10.71572 
1 1 1    7   57    5 o  144.969   10.217   73.385   10.186   76.049   19.321   72.360   11.987  145.888   19.633  143.678   12.169 2.210403 23.09893 
1 1 1    7   57    6 o  179.560   7.7806  111.867   9.6694  109.610   15.600  113.275   12.322  176.889   12.830  180.271   9.9138 -3.381516 16.21383 
1 1 1    7   57    7 o  172.871   8.3604  103.761   10.003  112.480   11.545   77.512   20.032  179.677   9.3159  146.939   20.235 32.73775 22.27606 
1 1 1    7   57    8 o  190.212   6.3064  125.471   8.3023  118.523   10.965  134.807   12.710  184.704   8.5774  196.913   9.3258 -12.20978 12.67048 
1 1 1    7   57    9 o  207.186   5.9668  148.868   8.5562  155.153   11.387  140.719   12.966  211.355   7.7845  201.126   9.3149 10.22971 12.13941 
1 1 1    7   57   10 o  152.173   8.1532   80.728   8.5558   95.171   20.843   77.801   9.3828  162.857   18.839  149.239   9.1277 13.61790 20.93423 
1 1 1    7   57   11 o  175.837   6.6498  107.369   8.0927  124.146   21.769  104.678   8.7174  186.556   17.049  173.562   7.2570 12.99380 18.52880 
1 1 1    7   57   12 o   56.497   12.568   11.638   4.7875  -0.8180   21.752   12.272   4.9079   62.334   27.086   58.036   12.581 4.298054 29.86548 
1 1 1    7   59    0 o  225.798   7.6061  176.822   11.887  225.415   21.435  155.242   14.284  254.510   12.168  211.422   9.7618 43.08858 15.60007 
1 1 1    7   59    1 o  304.765   5.6411  321.814   11.899  306.651   16.539  338.083   17.132  297.313   8.0375  312.189   7.9287 -14.87579 11.29005 
1 1 1    7   59    2 o  309.942   5.6001  332.845   12.013  327.945   16.381  338.548   17.671  307.485   7.6971  312.370   8.1736 -4.885223 11.22735 
1 1 1    7   59    3 o  243.295   6.0796  205.148   10.237  208.570   14.206  201.452   14.765  245.150   8.3728  240.890   8.8563 4.260056 12.18760 
1 1 1    7   59    4 o  196.810   9.5911  134.575   13.064   0.0000   0.0000  134.575   13.064  ?   ?   196.810   9.5911 0.000000 9.591082 
1 1 1    7   59    5 o  192.733   7.5745  128.889   10.104  134.146   16.027  125.421   13.017  195.894   11.877  189.683   9.9496 6.210617 15.49366 
1 1 1    7   59    6 o  144.215   8.3309   72.463   8.2798   85.363   11.605   59.088   11.817  156.233   10.799  129.414   13.386 26.81975 17.19906 
1 1 1    7   59    7 o  364.750   5.1728  461.085   13.059  478.473   18.386  443.383   18.551  371.312   7.1543  357.388   7.4997 13.92480 10.36484 
1 1 1    7   59    8 o  184.575   6.5854  118.210   8.4127  109.268   11.087  130.345   12.916  177.015   9.0801  193.522   9.6432 -16.50729 13.24535 
1 1 1    7   59    9 o  116.667   9.2494   47.673   7.4074   54.405   9.7362   38.420   11.414  124.311   11.445  103.178   16.542 21.13274 20.11538 
1 1 1    7   59   10 o  183.297   9.5075  117.399   12.020   0.0000   0.0000  117.399   12.020  ?   ?   183.297   9.5075 0.000000 9.507542 
1 1 1    7   59   11 o   44.096   17.258   4.2907   7.6492   0.0000   0.0000   4.2907   7.6492  ?   ?    44.096   17.258 0.000000 17.25773 
1 1 1    7   59   12 f   85.851   9.8133   26.097   5.7262 -14.1268   21.114   29.290   5.9492   53.051   24.512   91.059   9.5835 -38.00741 26.31923 
1 1 1    7   61    0 o  212.556   6.8237  156.673   10.039  162.073   13.968  150.906   14.437  215.991   9.3440  208.357   10.011 7.633377 13.69419 
1 1 1    7   61    1 o  166.910   9.5722   97.121   11.012  134.585   19.456   79.465   13.357  195.767   14.462  150.422   12.956 45.34488 19.41670 
1 1 1    7   61    3 o  190.465   8.0797  125.933   10.651  140.265   12.671   91.415   19.664  200.926   9.1114  160.319   18.035 40.60684 20.20591 
1 1 1    7   61    4 o  215.596   6.4683  161.194   9.6518  170.130   13.593  152.108   13.707  221.284   8.8756  209.179   9.4678 12.10562 12.97744 
1 1 1    7   61    5 o  110.735   10.540   43.069   7.9805   55.479   11.328   30.842   11.244  125.341   13.260   92.025   18.299 33.31513 22.59786 
1 1 1    7   61    6 o  128.683   11.197   58.153   9.8729   49.951   18.365   61.487   11.709  116.308   23.620  132.028   12.981 -15.72050 26.95226 
1 1 1    7   61    7 o   98.527   11.232   34.293   7.5225   36.512   10.184   31.629   11.159  100.934   15.038   93.151   17.960 7.782623 23.42426 
1 1 1    7   61    9 o  181.361   6.8197  114.245   8.5603  117.106   11.380  110.515   12.992  183.373   8.9663  177.603   10.618 5.769638 13.89752 
1 1 1    7   61   10 o  129.047   10.725   58.620   9.4924   86.683   24.556   53.690   10.292  152.758   24.019  123.140   12.239 29.61814 26.95744 
1 1 1    7   61   11 o   40.277   16.536   2.1330   7.3849 -37.6244   21.251   7.5938   7.8757   43.442   21.244   49.740   17.912 -6.298119 27.78769 
1 1 1    7   63    0 o  266.541   6.0051  246.319   11.078  246.226   15.371  246.420   15.980  266.257   8.3410  266.323   8.6695 -0.6597900E-01 12.03049 
1 1 1    7   63    1 o  266.596   12.370  247.951   22.825  247.951   22.825   0.0000   0.0000  266.596   12.370  ?   ?  0.000000 12.37004 
1 1 1    7   63    2 o  147.747   8.5489   76.091   8.7045   80.032   11.992   71.704   12.654  151.096   11.555  142.727   12.951 8.369431 17.35682 
1 1 1    7   63    3 o  156.930   7.8210   85.517   8.4947   95.774   11.818   74.552   12.219  165.542   10.367  145.663   12.233 19.87892 16.03519 
1 1 1    7   63    4 o  173.041   7.3173  103.949   8.7635  120.076   12.386   87.782   12.401  185.512   9.6802  158.260   11.398 27.25261 14.95405 
1 1 1    7   63    5 o  198.209   6.9003  136.362   9.4661  142.696   13.217  129.691   13.564  202.497   9.4304  192.693   10.207 9.803833 13.89657 
1 1 1    7   63    6 o  269.078   5.7874  251.125   10.778  245.767   15.031  256.797   15.464  265.893   8.1675  271.787   8.2207 -5.893646 11.58827 
1 1 1    7   63    7 o   91.079   13.869   29.748   8.4662   35.580   10.655   19.761   13.944   99.266   16.057   74.547   23.881 24.71931 28.77739 
1 1 1    7   63    8 o   43.709   17.061   4.2409   7.4606   0.5501   10.277   8.3532   10.848   44.725   19.011   55.333   20.829 -10.60808 28.20009 
1 1 1    7   63    9 o  136.521   8.4745   65.173   7.9678   58.725   10.625   73.458   12.044  128.861   12.054  144.212   12.180 -15.35179 17.13641 
1 1 1    7   65    0 o  284.229   6.6929  280.334   13.166  284.944   15.966  270.537   23.275  286.380   8.0552  278.356   12.081 8.023682 14.52046 
1 1 1    7   65    1 o  119.811   10.433   50.381   8.5650   58.741   11.802   41.079   12.449  128.894   13.427  106.638   17.473 22.25591 22.03613 
1 1 1    7   65    2 o   69.118   19.417   17.403   9.6723   7.7561   17.160   21.894   11.709   63.701   25.551   77.221   21.244 -13.52021 33.22844 
1 1 1    7   65    3 o  208.339   7.3346  150.736   10.576  146.195   16.441  153.941   13.813  204.303   11.676  210.293   9.4907 -5.990326 15.04653 
1 1 1    7   65    4 o   65.284   19.125   15.409   9.1973   14.430   10.706   18.166   17.969   64.485   20.952   75.516   27.071 -11.03098 34.23209 
1 1 1    7   65    5 o  164.324   7.7260   93.850   8.7868  113.128   12.484   74.925   12.369  179.866   10.069  145.825   12.372 34.04080 15.95192 
1 1 1    7   65    6 o  140.343   9.0257   68.874   8.7204   78.057   12.187   59.241   12.483  148.895   11.927  129.077   14.208 19.81871 18.55046 
1 1 1    7   65    7 f  168.895   9.2593   99.738   10.782   86.732   20.694  104.584   12.633  154.591   19.796  172.688   10.621 -18.09656 22.46554 
1 1 1    7   65    8 o  176.365   7.1408  108.172   8.7164  110.880   12.483  105.595   12.177  177.826   10.185  173.522   10.184 4.303711 14.40261 
1 1 1    7   67    0 o  262.254   6.1722  238.656   11.203  226.241   15.221  253.335   16.550  255.013   8.6237  269.811   8.8628 -14.79802 12.36595 
1 1 1    7   67    1 o  107.513   11.539   40.834   8.4518   47.108   11.781   34.180   12.132  114.773   15.205   96.605   18.822 18.16797 24.19617 
1 1 1    7   67    2 o  173.235   8.7775  104.705   10.490   89.707   17.333  113.373   13.177  158.761   15.992  179.948   10.627 -21.18652 19.20082 
1 1 1    7   67    3 o  123.690   9.9679   53.683   8.4609   66.896   11.918   40.254   12.014  137.639   12.652  105.442   17.044 32.19762 21.22675 
1 1 1    7   67    4 o  226.723   6.3975  178.467   10.039  186.026   14.366  171.254   14.034  231.107   8.9811  221.715   9.1456 9.392151 12.81807 
1 1 1    7   67    5 o   95.187   14.939   32.676   9.5180   32.471   11.306   33.176   17.636   94.104   18.015   93.728   26.179 0.3765793 31.77884 
1 1 1    7   67    6 o   85.710   14.600   26.606   8.3506   19.168   11.686   34.366   11.937   72.302   21.654   96.631   18.522 -24.32935 28.49534 
1 1 1    7   69    1 o   37.208   16.400  -2.1294   8.2281  -2.0014   11.995  -2.2431   11.308   45.663   19.972   44.049   19.326 1.613590 27.79176 
1 1 1    7   69    2 o   84.720   14.952   26.028   8.4466   47.359   12.122   5.8951   11.776  114.772   15.669   53.508   21.265 61.26360 26.41437 
1 1 1    7   69    3 f  165.982   9.7145   96.475   11.111  110.293   20.476   90.708   13.228  175.455   17.078  160.425   12.001 15.03018 20.87286 
1 1 1    7   69    4 o  112.380   10.924   44.606   8.3894   55.027   11.767   33.833   11.964  124.216   13.927   95.763   18.723 28.45268 23.33429 
1 1 1    8    0    0 o  553.483   6.7857  1060.63   25.985  1060.63   25.985  1060.63   25.985  553.483   6.7857  553.483   6.7857 0.000000 0.000000 
1 1 1    8    0    1 o   76.809   10.167   21.466   5.1407   21.466   5.1407   21.466   5.1407   76.809   10.167   76.809   10.167 0.000000 0.000000 
1 1 1    8    0    2 o  1209.28   11.994  5062.60  100.358  5062.60  100.358  5062.60  100.358  1209.28   11.994  1209.28   11.994 0.000000 0.000000 
1 1 1    8    0    3 o  837.492   8.9021  2428.20   51.587  2428.20   51.587  2428.20   51.587  837.492   8.9021  837.492   8.9021 0.000000 0.000000 
1 1 1    8    0    4 o  979.829   10.073  3323.77   68.292  3323.77   68.292  3323.77   68.292  979.829   10.073  979.829   10.073 0.000000 0.000000 
1 1 1    8    0    5 o  805.615   8.6932  2246.99   48.459  2246.99   48.459  2246.99   48.459  805.615   8.6932  805.615   8.6932 0.000000 0.000000 
1 1 1    8    0    6 o  443.436   9.0315  681.463   27.693  681.463   27.693  681.463   27.693  443.436   9.0315  443.436   9.0315 0.000000 0.000000 
1 1 1    8    0    7 o  393.227   6.2327  535.594   16.953  535.594   16.953  535.594   16.953  393.227   6.2327  393.227   6.2327 0.000000 0.000000 
1 1 1    8    0    8 o  880.628   9.3791  2685.57   57.150  2685.57   57.150  2685.57   57.150  880.628   9.3791  880.628   9.3791 0.000000 0.000000 
1 1 1    8    0    9 o  801.152   8.7993  2222.50   48.778  2222.50   48.778  2222.50   48.778  801.152   8.7993  801.152   8.7993 0.000000 0.000000 
1 1 1    8    0   10 o  430.421   6.6847  641.656   19.903  641.656   19.903  641.656   19.903  430.421   6.6847  430.421   6.6847 0.000000 0.000000 
1 1 1    8    0   11 o  157.988   9.4567   87.324   10.256   87.324   10.256   87.324   10.256  157.988   9.4567  157.988   9.4567 0.000000 0.000000 
1 1 1    8    0   12 o  538.336   7.3472  1003.67   27.364  1003.67   27.364  1003.67   27.364  538.336   7.3472  538.336   7.3472 0.000000 0.000000 
1 1 1    8    0   13 o  748.791   8.6546  1941.95   44.839  1941.95   44.839  1941.95   44.839  748.791   8.6546  748.791   8.6546 0.000000 0.000000 
1 1 1    8    0   14 o  307.230   7.6042  327.413   16.147  327.413   16.147  327.413   16.147  307.230   7.6042  307.230   7.6042 0.000000 0.000000 
1 1 1    8    0   15 o   54.849   25.695   15.360   10.918   15.360   10.918   15.360   10.918   54.849   25.695   54.849   25.695 0.000000 0.000000 
1 1 1    8    0   16 o  581.357   7.7200  1172.10   31.050  1172.10   31.050  1172.10   31.050  581.357   7.7200  581.357   7.7200 0.000000 0.000000 
1 1 1    8    0   17 o  107.948   22.463   45.888   14.799   45.888   14.799   45.888   14.799  107.948   22.463  107.948   22.463 0.000000 0.000000 
1 1 1    8    0   18 o  257.001   8.2097  230.335   14.569  230.335   14.569  230.335   14.569  257.001   8.2097  257.001   8.2097 0.000000 0.000000 
1 1 1    8    0   19 o  178.901   14.994  115.659   18.266  115.659   18.266  115.659   18.266  178.901   14.994  178.901   14.994 0.000000 0.000000 
1 1 1    8    0   20 o  107.602   16.478   44.333   11.416   44.333   11.416   44.333   11.416  107.602   16.478  107.602   16.478 0.000000 0.000000 
1 1 1    8    0   21 o  181.820   10.381  118.578   12.966  118.578   12.966  118.578   12.966  181.820   10.381  181.820   10.381 0.000000 0.000000 
1 1 1    8    2    0 o  2133.65   14.300 15759.29  211.170 15902.25  301.666 15621.92  295.703  2142.94   20.340  2123.98   20.115 18.95630 28.60635 
1 1 1    8    2    1 o  1286.90   8.9530  5731.85   79.743  5702.10  112.183  5762.24  113.374  1283.47   12.629  1290.22   12.696 -6.748413 17.90753 
1 1 1    8    2    2 f  1894.03   12.781 12417.80  167.542 12765.85  244.051 12107.56  230.416  1920.10   18.365  1869.98   17.803 50.12915 25.57757 
1 1 1    8    2    3 f  1073.09   7.6602  3985.34   56.892  4007.16   80.889  3963.98   80.032  1075.96   10.862  1070.15   10.805 5.811401 15.32139 
1 1 1    8    2    4 o  337.674   4.1184  394.603   9.6250  382.273   13.396  407.760   13.839  332.351   5.8237  343.251   5.8250 -10.90070 8.236912 
1 1 1    8    2    5 o  930.587   7.9058  2997.40   50.919  2997.56   88.142  2997.32   62.382  930.433   13.687  930.529   9.6861 -0.9680176E-01 16.76804 
1 1 1    8    2    6 o  1307.21   10.531  5916.97   95.274  5907.26  116.494  5936.58  165.567  1305.94   12.889  1308.58   18.281 -2.637573 22.36749 
1 1 1    8    2    7 o  1433.36   14.018  7121.64  139.061  7092.68  195.633  7151.22  197.707  1429.27   19.777  1435.12   19.905 -5.854980 28.05907 
1 1 1    8    2    8 o  575.857   5.0682  1147.78   20.200  1175.09   29.104  1122.40   28.058  582.611   7.2176  569.401   7.1197 13.20996 10.13823 
1 1 1    8    2    9 o  279.176   4.5545  269.745   8.8003  259.054   12.315  280.902   12.580  273.572   6.5041  284.875   6.3806 -11.30371 9.111217 
1 1 1    8    2   10 o  1057.80   8.8656  3873.51   64.906  3884.62   79.738  3851.71  111.740  1059.22   10.877  1054.45   15.311 4.767334 18.78117 
1 1 1    8    2   11 o  884.597   7.7761  2708.64   47.609  2721.46   83.134  2702.39   58.074  886.450   13.550  883.518   9.4971 2.932556 16.54706 
1 1 1    8    2   12 o  980.556   7.2962  3328.26   49.516  3380.99   71.050  3278.47   69.045  988.145   10.389  973.055   10.252 15.08972 14.59575 
1 1 1    8    2   13 f  679.375   6.6663  1597.75   31.345  1590.24   53.998  1601.56   38.495  677.558   11.515  680.129   8.1777 -2.571228 14.12319 
1 1 1    8    2   14 o  394.314   5.9120  538.248   16.134  552.567   20.084  512.195   27.092  399.489   7.2640  384.521   10.180 14.96780 12.50586 
1 1 1    8    2   15 o  322.733   5.2358  360.589   11.695  368.806   16.653  352.593   16.428  326.323   7.3734  319.068   7.4392 7.255432 10.47416 
1 1 1    8    2   16 o  323.708   5.2601  362.863   11.785  366.436   16.673  359.296   16.660  325.192   7.4079  322.004   7.4753 3.187500 10.52411 
1 1 1    8    2   17 o  404.978   5.1438  568.075   14.418  558.360   20.210  578.142   20.574  401.317   7.2763  408.364   7.2793 -7.046753 10.29236 
1 1 1    8    2   18 o  285.884   6.3936  283.379   12.651  290.878   21.986  279.667   15.468  289.099   10.988  283.865   7.8729 5.233795 13.51759 
1 1 1    8    2   19 o  281.347   7.7826  274.974   15.154  248.732   21.066  303.122   21.817  267.002   11.399  294.898   10.689 -27.89569 15.62728 
1 1 1    8    2   20 o   26.905   13.046 -12.5538   7.5563  -6.9533   10.789 -17.9461   10.587   38.942   17.820   31.567   15.338 7.375000 23.51205 
1 1 1    8    2   21 o  129.688   9.2893   59.046   8.2828   68.946   12.003   50.045   11.445  139.410   12.575  118.141   14.287 21.26885 19.03269 
1 1 1    8    4    0 o  1432.33   9.8604  7100.77   97.750  7128.88  138.815  7073.12  137.670  1435.05   13.976  1429.43   13.916 5.620850 19.72260 
1 1 1    8    4    1 o  663.427   5.3391  1523.19   24.515  1541.50   35.009  1505.57   34.340  667.387   7.5793  659.563   7.5226 7.823669 10.67875 
1 1 1    8    4    2 o  2202.55   14.744 16794.43  224.753 16763.10  317.253 16825.99  318.449  2200.08   20.835  2204.20   20.874 -4.120117 29.49281 
1 1 1    8    4    3 o  263.475   4.0030  240.236   7.2997  221.264   10.105  260.940   10.556  252.853   5.7743  274.590   5.5545 -21.73672 8.012206 
1 1 1    8    4    4 o  179.950   5.1403  112.067   6.4021  105.366   10.917  115.580   7.9039  174.239   9.0839  182.747   6.2491 -8.507919 11.02580 
1 1 1    8    4    5 o  334.768   4.1776  387.847   9.6794  371.200   13.447  405.745   13.944  327.496   5.9327  342.396   5.8839 -14.90024 8.355702 
1 1 1    8    4    6 o  345.706   4.2591  413.625   10.191  400.297   14.214  427.719   14.617  340.073   6.0391  351.529   6.0081 -11.45547 8.518662 
1 1 1    8    4    7 f  628.389   6.0803  1366.92   26.444  1362.32   32.395  1376.10   45.781  627.281   7.4618  630.298   10.495 -3.017273 12.87687 
1 1 1    8    4    8 o  1412.71   11.310  6912.83  110.583  6961.37  136.345  6819.51  189.040  1417.33   13.899  1401.87   19.484 15.45789 23.93319 
1 1 1    8    4    9 o  742.403   6.7953  1907.81   34.916  1907.32   42.829  1908.78   60.293  742.260   8.3368  742.408   11.734 -0.1477661 14.39407 
1 1 1    8    4   10 o  1008.74   7.3941  3522.20   51.623  3541.46   73.382  3503.33   72.635  1011.38   10.483  1005.92   10.433 5.457336 14.79007 
1 1 1    8    4   11 o  446.030   4.8526  688.527   14.980  691.775   21.347  685.375   21.026  447.058   6.8993  444.986   6.8271 2.071594 9.706182 
1 1 1    8    4   12 o  918.807   9.8085  2922.99   62.374   0.0000   0.0000  2922.99   62.374  ?   ?   918.807   9.8085 0.000000 9.808476 
1 1 1    8    4   13 o  244.520   5.6515  206.957   9.5643  213.573   13.688  200.646   13.369  248.369   7.9631  240.734   8.0240 7.634720 11.30463 
1 1 1    8    4   14 o  477.172   5.1720  788.160   17.081  795.090   24.437  781.540   23.884  479.199   7.3682  475.102   7.2636 4.097290 10.34649 
1 1 1    8    4   15 o  584.470   6.3383  1182.87   25.640  1183.33   31.308  1181.95   44.678  584.494   7.7393  583.875   11.056 0.6183472 13.49567 
1 1 1    8    4   16 o  501.515   5.2806  870.984   18.329  860.640   25.512  882.021   26.352  498.366   7.3963  504.505   7.5469 -6.138794 10.56699 
1 1 1    8    4   17 o  472.716   5.2145  774.032   17.060  770.312   24.094  777.773   24.160  471.354   7.3856  473.633   7.3702 -2.279053 10.43393 
1 1 1    8    4   18 o  304.325   6.3868  321.119   13.452  321.328   16.359  320.683   23.641  304.282   7.7679  303.498   11.255 0.7838745 13.67496 
1 1 1    8    4   19 o  304.114   5.4084  320.648   11.384  317.232   16.029  324.125   16.170  302.206   7.6636  305.474   7.6480 -3.268188 10.82693 
1 1 1    8    4   20 f   62.498   18.898   14.061   8.8693  -3.4580   15.558   22.497   10.795   51.077   22.530   77.875   19.942 -26.79826 30.08808 
1 1 1    8    4   21 f   29.319   14.228 -14.9490   9.0337 -16.4614   11.087 -11.9610   15.583   33.355   16.081   45.036   20.897 -11.68173 26.36792 
1 1 1    8    6    0 o  982.646   7.1322  3341.78   48.506  3379.03   69.342  3306.09   67.877  988.064   10.140  977.343   10.035 10.72052 14.26580 
1 1 1    8    6    1 o  487.892   4.5231  823.778   15.273  827.015   21.692  820.595   21.509  488.841   6.4113  486.940   6.3822 1.900909 9.046387 
1 1 1    8    6    2 o  1276.58   10.284  5640.66   90.862  5443.90  151.782  5750.55  113.433  1253.90   17.490  1288.90   12.716 -34.99988 21.62358 
1 1 1    8    6    3 o  1353.45   13.260  6341.39  124.210   0.0000   0.0000  6341.39  124.210  ?   ?   1353.45   13.260 0.000000 13.25980 
1 1 1    8    6    4 o  811.749   7.1333  2280.58   40.076  2252.68   68.982  2294.79   49.238  806.668   12.356  814.249   8.7371 -7.580933 15.13268 
1 1 1    8    6    5 o  951.836   6.9764  3135.79   45.959  3110.98   64.500  3161.38   65.503  947.981   9.8307  955.627   9.9037 -7.645691 13.95442 
1 1 1    8    6    6 o  594.685   5.0854  1224.03   20.931  1199.99   29.164  1249.56   30.059  588.771   7.1568  600.806   7.2287 -12.03479 10.17220 
1 1 1    8    6    7 o  1034.30   7.4926  3703.81   53.636  3693.81   75.642  3713.92   76.065  1032.65   10.584  1035.45   10.614 -2.804199 14.98892 
1 1 1    8    6    8 o  1366.98   10.979  6471.87  103.876  6544.57  128.800  6336.58  175.691  1374.34   13.541  1351.54   18.782 22.80151 23.15432 
1 1 1    8    6    9 o  873.495   6.6058  2641.00   39.936  2681.79   57.310  2602.48   55.682  880.113   9.4083  867.006   9.2793 13.10712 13.21444 
1 1 1    8    6   10 o  482.468   4.8675  805.618   16.254  794.549   22.824  817.006   23.152  479.118   6.8828  485.841   6.8851 -6.723663 9.735435 
1 1 1    8    6   11 o  943.688   8.1262  3082.70   53.075  3120.49   92.553  3064.18   64.787  949.177   14.089  940.781   9.9499 8.396301 17.24789 
1 1 1    8    6   12 o  596.056   5.3846  1229.68   22.213  1253.06   32.035  1208.04   30.829  601.643   7.6931  590.740   7.5403 10.90314 10.77224 
1 1 1    8    6   13 o  629.045   6.4445  1369.77   28.057  1371.71   49.394  1368.85   34.091  629.282   11.341  628.785   7.8336 0.4961548 13.78349 
1 1 1    8    6   14 o  192.898   6.7192  128.826   8.9706  126.850   12.771  130.750   12.604  191.120   9.6863  194.290   9.3728 -3.170563 13.47859 
1 1 1    8    6   15 o  621.018   6.4480  1335.49   27.714  1308.43   33.591  1393.17   49.047  614.593   7.8970  633.870   11.180 -19.27625 13.68756 
1 1 1    8    6   16 o  458.762   5.1903  728.807   16.480  742.757   23.542  715.402   23.077  462.976   7.3471  454.371   7.3382 8.604797 10.38406 
1 1 1    8    6   17 o  264.324   6.5000  242.142   11.891  238.488   21.055  243.854   14.409  261.892   11.616  265.165   7.8514 -3.273163 14.02053 
1 1 1    8    6   18 o  265.013   5.6615  243.419   10.384  249.490   14.912  237.703   14.469  268.087   8.0367  261.682   7.9891 6.404480 11.33200 
1 1 1    8    6   19 o  184.179   6.9007  117.750   8.7965  116.380   12.568  119.066   12.316  182.531   9.9865  184.685   9.6686 -2.153671 13.90009 
1 1 1    8    6   20 o  189.734   7.9267  125.242   10.409  123.133   13.149  128.781   17.035  187.541   10.168  191.130   12.955 -3.588943 16.46868 
1 1 1    8    6   21 o  102.915   13.329   37.962   9.2712   35.061   11.557   43.200   15.530   97.576   17.767  107.251   21.667 -9.675392 28.01970 
1 1 1    8    8    0 o  2027.27   13.627 14226.93  191.202 14157.38  268.973 14297.98  271.851  2021.98   19.220  2031.99   19.330 -10.00793 27.25913 
1 1 1    8    8    1 o  1116.85   7.9347  4317.07   61.334  4202.05   84.441  4445.54   89.237  1101.82   11.073  1133.28   11.377 -31.46619 15.87609 
1 1 1    8    8    2 o  2001.69   19.053 13875.21  263.959   0.0000   0.0000 13875.21  263.959  ?   ?   2001.69   19.053 0.000000 19.05296 
1 1 1    8    8    3 o  816.362   7.1694  2306.54   40.508  2423.42   73.783  2256.11   48.466  836.690   12.741  807.368   8.6733 29.32220 15.41319 
1 1 1    8    8    4 o  521.513   5.4625  941.265   19.717  973.659   35.227  926.488   23.792  530.366   9.5968  517.393   6.6441 12.97333 11.67228 
1 1 1    8    8    5 o  768.716   6.8939  2045.33   36.678  1963.42   61.702  2090.09   45.612  753.023   11.839  777.044   8.4811 -24.02075 14.56330 
1 1 1    8    8    6 o  749.164   5.8650  1942.69   30.410  1935.90   42.865  1949.57   43.150  747.764   8.2825  750.399   8.3083 -2.634766 11.73151 
1 1 1    8    8    7 o  1328.49   9.2668  6112.02   85.205  6138.15  120.963  6086.28  120.039  1330.83   13.133  1325.20   13.088 5.628784 18.54055 
1 1 1    8    8    8 o  619.142   6.0640  1326.88   25.985  1330.22   32.060  1320.49   44.365  619.881   7.4727  617.506   10.381 2.375793 12.79055 
1 1 1    8    8    9 o  956.557   8.1897  3167.50   54.220  3176.68   66.484  3149.27   93.691  957.861   10.029  953.476   14.197 4.385498 17.38214 
1 1 1    8    8   10 o  1180.54   8.4089  4824.39   68.707  4847.57   97.673  4801.68   96.667  1183.19   11.927  1177.59   11.861 5.609375 16.82068 
1 1 1    8    8   11 o  336.854   4.7649  392.712   11.109  392.787   16.024  392.642   15.415  336.867   6.8726  336.808   6.6127 0.5957031E-01 9.537359 
1 1 1    8    8   12 o  674.719   5.7054  1575.71   26.643  1603.40   38.374  1549.94   37.021  680.554   8.1470  669.117   7.9941 11.43671 11.41399 
1 1 1    8    8   13 o  661.760   5.7024  1515.86   26.118  1565.64   37.983  1471.21   35.971  672.448   8.1612  651.862   7.9730 20.58630 11.40943 
1 1 1    8    8   14 o  192.780   6.7288  128.671   8.9780  113.172   12.836  143.515   12.562  180.444   10.321  203.560   8.9164 -23.11519 13.63904 
1 1 1    8    8   15 o  162.759   7.5189   91.758   8.4699   97.231   12.119   86.532   11.842  167.139   10.531  157.600   10.924 9.539047 15.17315 
1 1 1    8    8   16 o  304.296   5.3150  320.668   11.194  316.121   16.112  324.909   15.563  302.011   7.7080  306.201   7.3436 -4.190643 10.64627 
1 1 1    8    8   17 o  160.858   10.729   90.313   11.876   69.463   15.631  118.781   18.265  140.062   16.437  184.014   14.458 -43.95245 21.89056 
1 1 1    8    8   18 o  239.202   5.8617  198.342   9.7044  203.573   13.848  193.294   13.603  242.134   8.2635  235.935   8.3304 6.199036 11.73382 
1 1 1    8    8   19 o  125.204   9.3291   54.855   8.0261   49.321   11.506   60.100   11.201  117.738   14.422  130.525   12.554 -12.78724 19.12035 
1 1 1    8    8   20 f  149.039   17.398   79.854   17.609   79.854   17.609   0.0000   0.0000  149.039   17.398  ?   ?  0.000000 17.39834 
1 1 1    8    8   21 o  159.479   9.5861   89.245   10.532   86.488   17.764   90.740   13.078  154.783   16.854  160.229   11.878 -5.445923 20.61909 
1 1 1    8   10    0 o  172.821   4.7419  103.361   5.6719   88.251   7.9112  119.343   8.1361  159.685   7.1581  185.699   6.3304 -26.01337 9.555738 
1 1 1    8   10    1 o  1364.49   10.909  6444.47  103.019  6321.95  174.831  6509.64  127.506  1351.16   18.695  1371.29   13.435 -20.13281 23.02183 
1 1 1    8   10    2 o  751.216   8.2613  1953.16   42.953   0.0000   0.0000  1953.16   42.953  ?   ?   751.216   8.2613 0.000000 8.261276 
1 1 1    8   10    3 o  352.065   4.8194  428.959   11.743  418.195   20.503  434.214   14.326  347.599   8.5225  354.210   5.8436 -6.610809 10.33353 
1 1 1    8   10    4 o  650.264   6.1652  1463.45   27.747  1459.02   48.374  1465.62   33.873  649.202   10.766  650.727   7.5211 -1.524597 13.13297 
1 1 1    8   10    5 o  735.200   6.6987  1870.91   34.086  1873.66   59.732  1869.58   41.507  735.572   11.733  734.900   8.1605 0.6721191 14.29175 
1 1 1    8   10    6 o  595.505   5.9321  1227.54   24.450  1200.98   42.165  1241.00   30.010  588.861   10.346  598.720   7.2421 -9.858459 12.62860 
1 1 1    8   10    7 o  458.040   5.2425  726.193   16.620  727.414   20.576  723.903   28.189  458.397   6.4856  457.219   8.9078 1.177917 11.01873 
1 1 1    8   10    8 o  540.788   4.9359  1012.20   18.474  1044.15   26.693  982.821   25.595  549.215   7.0222  532.844   6.9403 16.37164 9.873130 
1 1 1    8   10    9 o  1431.81   9.9222  7097.80   98.326  7196.47  141.171  7004.84  137.029  1441.37   14.151  1422.07   13.922 19.29883 19.85171 
1 1 1    8   10   10 o  315.068   6.5387  343.585   14.258  330.439   18.952  360.732   21.644  308.958   8.8629  322.799   9.6880 -13.84079 13.13039 
1 1 1    8   10   11 o  440.220   4.7977  670.707   14.618  670.063   20.873  671.327   20.478  439.984   6.8544  440.401   6.7184 -0.4167786 9.597874 
1 1 1    8   10   12 o  1396.72   9.7516  6754.87   94.268  6833.25  135.081  6680.45  131.617  1404.38   13.897  1388.61   13.695 15.76660 19.51102 
1 1 1    8   10   13 o  609.521   5.4756  1285.97   23.099  1297.38   33.008  1275.01   32.336  612.144   7.7910  606.848   7.6990 5.295715 10.95324 
1 1 1    8   10   14 o  333.287   5.2744  384.518   12.167  392.160   17.999  378.089   16.510  336.522   7.7278  330.444   7.2188 6.078308 10.57498 
1 1 1    8   10   15 o  397.171   5.1124  546.134   14.053  568.130   20.489  526.592   19.312  404.995   7.3096  389.916   7.1562 15.07889 10.22945 
1 1 1    8   10   16 o  199.770   8.8040  138.391   12.173   0.0000   0.0000  138.391   12.173  ?   ?   199.770   8.8040 0.000000 8.803977 
1 1 1    8   10   17 o  319.871   6.1491  354.578   13.613  348.709   16.423  367.463   24.336  317.105   7.4831  325.150   10.814 -8.045349 13.15081 
1 1 1    8   10   18 o  351.829   5.1502  428.938   12.541  406.975   17.399  452.685   18.092  342.467   7.3407  361.201   7.2372 -18.73425 10.30833 
1 1 1    8   10   19 o  179.147   6.9117  111.420   8.5698  113.618   12.247  109.311   11.996  180.345   9.8489  176.885   9.8377 3.459824 13.92053 
1 1 1    8   10   20 o   33.155   15.101  -4.6207   7.6334  -1.3186   10.907  -7.7906   10.687   44.065   19.164   38.040   17.528 6.024597 25.97067 
1 1 1    8   10   21 f   77.564   20.156   22.598   10.919   25.127   16.718   20.717   14.420   82.052   26.134   75.252   24.305 6.799416 35.68922 
1 1 1    8   12    0 o  542.961   5.6041  1020.27   21.060  1006.34   36.309  1027.32   25.852  539.208   9.7294  544.827   6.8558 -5.618958 11.90225 
1 1 1    8   12    1 o  1119.50   9.1959  4337.83   71.252  4364.88  124.115  4324.53   87.020  1122.78   15.972  1117.73   11.249 5.049072 19.53533 
1 1 1    8   12    2 o  2156.94   14.469 16107.64  215.993 15790.83  298.856 16454.10  312.522  2135.13   20.224  2179.46   20.718 -44.32935 28.95248 
1 1 1    8   12    3 o  283.736   6.1184  278.625   12.015  270.293   16.659  287.659   17.345  279.447   8.6136  288.284   8.6933 -8.836731 12.23798 
1 1 1    8   12    4 o  1028.53   7.4284  3661.60   52.880  3616.39   73.902  3709.02   75.697  1022.06   10.447  1035.06   10.567 -13.00153 14.85928 
1 1 1    8   12    5 o  331.419   4.2056  380.144   9.6469  388.472   13.765  372.105   13.523  335.012   5.9367  327.879   5.9593 7.133484 8.411790 
1 1 1    8   12    6 o  764.106   8.4147  2021.68   44.501  1986.34   62.912  2057.07   62.956  757.164   12.005  770.542   11.805 -13.37854 16.83684 
1 1 1    8   12    7 o  990.718   8.3915  3398.44   57.539  3400.49  100.459  3397.44   70.194  990.474   14.654  990.443   10.240 0.3076172E-01 17.87756 
1 1 1    8   12    8 o  386.575   4.4545  517.206   11.918  505.701   16.838  528.759   16.872  382.228   6.3648  390.847   6.2371 -8.618866 8.911336 
1 1 1    8   12    9 o  1394.71   11.187  6735.42  107.987  6673.17  184.380  6767.92  133.228  1387.47   19.201  1397.86   13.771 -10.39331 23.62818 
1 1 1    8   12   10 o  1759.36   11.988 10718.18  145.977 10946.25  211.186 10509.52  202.005  1777.42   17.167  1741.65   16.758 35.76794 23.99046 
1 1 1    8   12   11 o  577.064   6.1238  1152.58   24.458  1159.83   29.938  1138.05   42.409  578.849   7.4728  573.307   10.688 5.541077 13.04126 
1 1 1    8   12   12 o  1101.34   7.9784  4199.22   60.816  4292.96   88.003  4113.53   84.139  1113.33   11.421  1089.84   11.155 23.49377 15.96445 
1 1 1    8   12   13 f  322.519   5.7530  360.062   12.842  376.667   16.510  334.634   20.432  329.845   7.2322  310.847   9.4970 18.99768 11.93727 
1 1 1    8   12   14 o  293.661   5.3362  298.527   10.846  326.006   16.056  275.468   14.708  306.827   7.5609  282.044   7.5348 24.78238 10.67425 
1 1 1    8   12   15 o  321.699   6.0614  358.378   13.496  379.317   25.609  350.327   15.880  330.694   11.189  318.020   7.2146 12.67368 13.31320 
1 1 1    8   12   16 o  233.607   6.9966  189.109   11.312  195.306   13.804  176.439   19.739  237.332   8.4038  224.936   12.731 12.39578 15.25477 
1 1 1    8   12   17 o  204.619   6.1845  145.106   8.7584  135.604   12.397  154.576   12.376  197.638   9.0626  211.054   8.4725 -13.41539 12.40620 
1 1 1    8   12   18 o  293.374   6.2448  298.452   12.680  305.368   15.298  283.268   22.666  296.626   7.4514  285.123   11.486 11.50244 13.69132 
1 1 1    8   12   19 o  248.236   6.5684  213.881   11.285  209.751   13.948  221.707   19.201  245.623   8.2050  252.059   11.006 -6.436249 13.72820 
1 1 1    8   12   20 o   50.781   17.490   8.4209   7.4482   10.836   10.736   6.1802   10.342   58.648   20.935   51.541   20.096 7.107075 29.01933 
1 1 1    8   12   21 o   54.920   17.727   10.617   7.6720  -6.4299   10.821   27.848   10.879   39.181   17.898   86.370   18.738 -47.18848 25.91270 
1 1 1    8   14    0 o  951.343   8.0820  3132.48   53.215  3123.42   92.034  3137.03   65.223  949.819   14.000  951.998   9.8989 -2.178589 17.14617 
1 1 1    8   14    1 o  1909.39   12.898 12621.57  170.444 12398.57  236.343 12863.23  246.037  1892.08   18.048  1927.17   18.446 -35.09424 25.80665 
1 1 1    8   14    2 o  1722.51   11.715 10271.54  139.659  9936.14  190.381 10662.34  205.501  1693.86   16.239  1754.62   16.922 -60.75378 23.45365 
1 1 1    8   14    3 o  841.806   7.3666  2452.74   42.920  2415.12   73.685  2472.06   52.802  835.170   12.748  845.075   9.0277 -9.904663 15.62046 
1 1 1    8   14    4 o  274.271   4.2183  260.343   8.0074  239.326   11.116  283.010   11.544  262.955   6.1080  285.950   5.8332 -22.99518 8.445898 
1 1 1    8   14    5 o  566.982   5.6871  1112.73   22.317  1072.29   26.858  1202.93   40.113  556.552   6.9725  589.374   9.8337 -32.82263 12.05475 
1 1 1    8   14    6 o  718.596   5.7281  1787.47   28.489  1753.58   39.707  1823.43   40.898  711.653   8.0617  725.684   8.1429 -14.03119 11.45847 
1 1 1    8   14    7 o  883.024   6.6311  2699.11   40.526  2706.98   57.565  2691.38   57.064  884.177   9.4068  881.629   9.3519 2.548645 13.26444 
1 1 1    8   14    8 o  378.069   5.2383  494.713   13.707  497.073   25.626  493.767   16.223  378.901   9.7717  377.697   6.2058 1.204773 11.57580 
1 1 1    8   14    9 f  286.196   4.5545  283.475   9.0216  290.940   12.896  276.319   12.625  289.927   6.4266  282.548   6.4562 7.379150 9.109561 
1 1 1    8   14   10 o  1387.91   9.6770  6668.70   92.957  6767.52  133.501  6575.70  129.511  1397.86   13.799  1377.93   13.580 19.93530 19.36042 
1 1 1    8   14   11 o  434.557   4.7980  653.568   14.430  687.683   21.220  624.220   19.682  445.726   6.8786  424.664   6.6965 21.06174 9.599945 
1 1 1    8   14   12 o  521.623   7.2808  941.924   26.285  941.924   26.285   0.0000   0.0000  521.623   7.2808  ?   ?  0.000000 7.280756 
1 1 1    8   14   13 o  539.946   5.2362  1009.15   19.568  1042.68   28.539  979.400   26.881  548.773   7.5140  531.868   7.3024 16.90466 10.47786 
1 1 1    8   14   14 o  371.875   5.0750  478.720   13.062  474.392   18.878  482.694   18.092  370.124   7.3695  373.360   7.0013 -3.236786 10.16501 
1 1 1    8   14   15 o  199.285   8.7118  137.643   12.016   0.0000   0.0000  137.643   12.016  ?   ?   199.285   8.7118 0.000000 8.711790 
1 1 1    8   14   16 o  512.246   6.1146  909.034   21.678  945.854   40.473  894.222   25.671  521.842   11.206  507.936   7.3022 13.90558 13.37525 
1 1 1    8   14   17 f  270.991   5.4783  254.440   10.275  242.305   14.693  266.053   14.374  264.265   8.0334  276.960   7.4986 -12.69418 10.98926 
1 1 1    8   14   18 o  189.563   6.5476  124.641   8.5904  118.687   12.050  130.794   12.249  184.507   9.4683  193.973   9.1242 -9.466309 13.14913 
1 1 1    8   14   19 o   79.348   26.339   22.054   16.886   0.0000   0.0000   22.054   16.886  ?   ?    79.348   26.339 0.000000 26.33939 
1 1 1    8   14   20 o   53.444   17.382   9.8786   7.3673   13.396   10.499   6.4662   10.341   62.338   20.773   51.894   20.133 10.44395 28.92825 
1 1 1    8   14   21 o   94.258   12.044   31.777   7.6774   16.746   10.946   46.329   10.771   67.629   21.096  113.539   14.003 -45.90963 25.32059 
1 1 1    8   16    0 o  1231.13   8.6597  5246.26   73.788  5014.63  140.667  5334.18   86.669  1203.28   16.891  1241.36   10.088 -38.07739 19.67380 
1 1 1    8   16    1 o  368.345   6.2388  469.577   15.905   0.0000   0.0000  469.577   15.905  ?   ?   368.345   6.2388 0.000000 6.238843 
1 1 1    8   16    2 o  904.211   7.7866  2829.96   48.730  2792.99   58.889  2910.24   86.787  898.240   9.4725  916.743   13.678 -18.50244 16.63800 
1 1 1    8   16    3 o  1209.21   9.8574  5062.23   82.497  4921.95  139.141  5138.27  102.447  1191.82   16.868  1218.11   12.152 -26.29053 20.78924 
1 1 1    8   16    4 o  831.339   7.2700  2392.50   41.830  2334.97   50.303  2521.46   75.312  821.214   8.8504  853.146   12.755 -31.93182 15.52440 
1 1 1    8   16    5 o  383.762   6.1512  509.809   16.338   0.0000   0.0000  509.809   16.338  ?   ?   383.762   6.1512 0.000000 6.151171 
1 1 1    8   16    6 f  286.823   4.2937  284.734   8.5236  303.470   12.265  267.234   11.853  296.090   5.9853  277.848   6.1640 18.24161 8.591743 
1 1 1    8   16    7 o  733.957   5.8314  1864.56   29.622  1903.30   42.779  1828.88   41.058  741.461   8.3361  726.828   8.1619 14.63391 11.66652 
1 1 1    8   16    8 o  390.042   4.4325  526.517   11.966  513.604   16.851  539.650   16.994  385.211   6.3205  394.858   6.2183 -9.647827 8.866600 
1 1 1    8   16    9 f  1337.44   10.815  6193.12  100.112  6126.83  172.395  6226.86  122.972  1329.60   18.734  1340.91   13.250 -11.30615 22.94622 
1 1 1    8   16   10 o  236.971   4.9324  194.349   8.0897  183.302   11.614  204.758   11.274  230.123   7.2922  243.223   6.6974 -13.09998 9.901093 
1 1 1    8   16   11 o  205.471   5.9696  146.127   8.4893  152.878   14.314  142.465   10.544  210.128   9.8427  202.868   7.5092 7.260269 12.38013 
1 1 1    8   16   12 o  267.624   5.1207  247.901   9.4849  241.407   13.811  253.697   13.048  264.066   7.5570  270.712   6.9642 -6.646362 10.27657 
1 1 1    8   16   13 o  351.425   5.9894  427.524   14.568  428.135   17.603  426.195   25.950  351.649   7.2328  350.749   10.690 0.9003906 12.90673 
1 1 1    8   16   14 o  435.944   5.6673  657.960   17.099  622.439   28.399  678.161   21.417  423.835   9.6812  442.535   6.9924 -18.70044 11.94236 
1 1 1    8   16   15 o  395.836   5.0797  542.522   13.917  535.631   19.793  549.259   19.571  393.199   7.2731  398.181   7.1016 -4.981201 10.16513 
1 1 1    8   16   16 o  143.889   7.9026   72.003   7.8398   66.735   11.333   76.838   10.857  138.048   11.980  148.370   10.644 -10.32260 16.02500 
1 1 1    8   16   17 o  158.646   8.7215   87.641   9.5395   91.415   17.923   86.149   11.268  160.822   16.329  157.077   10.424 3.745514 19.37266 
1 1 1    8   16   18 o   68.695   20.547   16.934   10.526   16.934   10.526   0.0000   0.0000   68.695   20.547  ?   ?  0.000000 20.54663 
1 1 1    8   16   19 o  193.060   6.6652  129.408   8.9060  131.683   12.832  127.294   12.371  194.415   9.5366  191.172   9.3495 3.242966 13.35516 
1 1 1    8   16   20 o  135.649   9.8068   64.592   9.1450   67.122   15.204   63.158   11.447  136.608   16.409  133.527   12.533 3.080933 20.64816 
1 1 1    8   16   21 o   97.228   11.722   33.747   7.7289   46.509   11.479   23.164   10.453  113.397   14.994   78.442   19.370 34.95464 24.49495 
1 1 1    8   18    0 o  1650.21   13.031  9430.11  148.831  8741.46  236.731  9880.20  191.384  1587.89   21.541  1688.80   16.374 -100.9141 27.05737 
1 1 1    8   18    1 o  608.980   5.2202  1283.52   22.002  1157.56   40.847  1335.00   26.114  578.233   10.207  621.060   6.0753 -42.82758 11.87787 
1 1 1    8   18    2 o  1401.63   11.236  6802.78  108.997  6424.39  177.719  7030.93  137.998  1361.31   18.863  1424.69   13.995 -63.38000 23.48739 
1 1 1    8   18    3 o  707.417   5.6892  1732.16   27.855  1653.82   37.879  1824.40   41.104  691.170   7.9185  725.929   8.1812 -34.75946 11.38570 
1 1 1    8   18    4 o  208.517   5.5865  150.500   8.0622  147.463   14.198  151.945   9.7944  206.347   9.9417  209.503   6.7548 -3.155807 12.01932 
1 1 1    8   18    5 o  1017.89   7.4026  3587.16   52.151  3477.06   71.558  3711.88   76.163  1001.93   10.319  1035.19   10.630 -33.25159 14.81521 
1 1 1    8   18    6 o  251.718   6.0611  219.324   10.560   0.0000   0.0000  219.324   10.560  ?   ?   251.718   6.0611 0.000000 6.061123 
1 1 1    8   18    7 o  283.579   4.7734  278.322   9.3687  278.927   15.415  277.968   11.798  283.857   7.8462  283.388   6.0151 0.4685974 9.886564 
1 1 1    8   18    8 o  272.502   6.1356  257.016   11.572   0.0000   0.0000  257.016   11.572  ?   ?   272.502   6.1356 0.000000 6.135623 
1 1 1    8   18    9 o  1690.21   11.551  9891.61  135.125 10224.34  197.956  9601.32  184.901  1717.89   16.649  1664.79   16.047 53.09399 23.12398 
1 1 1    8   18   10 o  918.667   8.0074  2921.40   50.913  2947.32   90.208  2909.28   61.674  922.448   14.130  916.696   9.7208 5.751099 17.15042 
1 1 1    8   18   11 o  720.210   6.7430  1795.48   33.612  1851.60   42.772  1704.88   54.350  731.321   8.4503  701.638   11.192 29.68372 14.02394 
1 1 1    8   18   12 o  792.619   6.2819  2174.74   34.462  2273.76   50.824  2090.48   46.886  810.330   9.0622  777.003   8.7185 33.32666 12.57516 
1 1 1    8   18   13 o  542.114   5.2137  1017.30   19.562  1059.75   28.734  980.630   26.707  553.227   7.5044  532.185   7.2507 21.04254 10.43497 
1 1 1    8   18   14 o  222.087   5.9075  170.775   9.0804  173.798   13.619  168.355   12.184  223.972   8.7854  220.460   7.9852 3.512741 11.87206 
1 1 1    8   18   15 o  555.201   5.3110  1067.42   20.408  1087.91   29.364  1048.27   28.384  560.315   7.5719  550.021   7.4563 10.29395 10.62687 
1 1 1    8   18   16 o  232.388   5.6549  187.083   9.0953  178.066   12.985  195.767   12.744  226.582   8.2802  237.610   7.7491 -11.02815 11.34063 
1 1 1    8   18   17 o  154.399   8.2423   82.981   8.7759   78.188   11.433   89.854   13.692  149.492   11.130  160.108   12.454 -10.61546 16.70264 
1 1 1    8   18   18 o  169.880   6.9783  100.158   8.2048   98.021   11.892  102.099   11.335  167.463   10.310  171.032   9.6145 -3.568558 14.09756 
1 1 1    8   18   19 o   63.941   16.628   14.982   7.4279   2.6887   10.851   25.823   10.190   48.265   19.954   83.795   18.099 -35.53074 26.93942 
1 1 1    8   18   20 o  180.158   7.1580  112.895   8.9253  114.576   12.561  111.182   12.685  180.768   10.080  178.001   10.341 2.766678 14.44077 
1 1 1    8   18   21 o   53.916   17.567   10.222   7.5237   21.072   11.229   1.3840   10.135   74.685   20.900   44.913   18.974 29.77235 28.22817 
1 1 1    8   20    0 o  864.709   7.5447  2588.39   45.154  2452.20   74.403  2667.79   56.812  841.397   12.776  877.796   9.3512 -36.39893 15.83296 
1 1 1    8   20    1 o  555.019   5.7660  1066.23   22.149  998.537   36.798  1104.69   27.737  537.008   9.9007  564.911   7.0941 -27.90332 12.17988 
1 1 1    8   20    2 o  489.614   4.7494  829.700   16.094  761.951   30.826  855.088   18.870  469.090   9.4949  497.035   5.4855 -27.94489 10.96554 
1 1 1    8   20    3 o  887.920   13.408  2732.20   82.398  2732.20   82.398   0.0000   0.0000  887.920   13.408  ?   ?  0.000000 13.40808 
1 1 1    8   20    4 o  384.950   9.1499  513.171   24.378  513.171   24.378   0.0000   0.0000  384.950   9.1499  ?   ?  0.000000 9.149919 
1 1 1    8   20    5 o  385.983   6.2290  515.715   16.640   0.0000   0.0000  515.715   16.640  ?   ?   385.983   6.2290 0.000000 6.229004 
1 1 1    8   20    6 o  949.690   8.0578  3122.33   52.963  2980.49   87.248  3205.09   66.648  927.539   13.591  962.094   10.009 -34.55585 16.87874 
1 1 1    8   20    7 o  916.905   6.8361  2910.02   43.382  2893.38   61.153  2926.88   61.552  914.174   9.6652  919.451   9.6725 -5.276733 13.67385 
1 1 1    8   20    8 o  475.455   6.6113  782.431   21.756   0.0000   0.0000  782.431   21.756  ?   ?   475.455   6.6113 0.000000 6.611330 
1 1 1    8   20    9 o  637.396   5.4197  1406.11   23.909  1491.26   35.485  1335.32   32.356  656.368   7.8113  621.107   7.5268 35.26086 10.84754 
1 1 1    8   20   10 o  941.565   8.0664  3068.93   52.567  3156.95   66.550  2922.93   85.715  954.886   10.070  918.630   13.482 36.25616 16.82719 
1 1 1    8   20   11 o  579.338   6.1519  1161.76   24.667  1250.24   47.305  1128.72   28.908  600.820   11.376  571.011   7.3148 29.80835 13.52461 
1 1 1    8   20   12 o  261.491   5.5411  236.685   10.028  247.122   17.032  231.148   12.407  267.134   9.2124  258.396   6.9374 8.738922 11.53237 
1 1 1    8   20   13 o  568.138   5.9849  1117.45   23.534  1236.10   42.705  1065.71   28.202  597.302   10.330  554.772   7.3450 42.52997 12.67527 
1 1 1    8   20   14 o  229.849   5.6005  182.921   8.9093  197.371   13.468  171.679   11.880  238.684   8.1530  222.621   7.7103 16.06302 11.22137 
1 1 1    8   20   15 o  269.117   5.2627  250.805   9.8022  267.484   14.449  236.583   13.342  277.819   7.5144  261.286   7.3779 16.53348 10.53088 
1 1 1    8   20   16 o  240.123   5.5699  199.751   9.2568  194.395   13.119  205.064   13.064  236.743   8.0065  243.169   7.7620 -6.426407 11.15135 
1 1 1    8   20   17 o  133.110   8.0757   61.729   7.4048   52.716   10.753   69.859   10.212  122.280   12.900  141.327   10.516 -19.04745 16.64289 
1 1 1    8   20   18 o  189.811   6.5179  125.008   8.5626  126.049   12.733  124.148   11.569  190.051   9.7130  188.948   8.8465 1.102905 13.13782 
1 1 1    8   20   19 o  235.862   5.8701  193.051   9.5826  178.874   13.938  205.758   13.196  226.629   8.8863  243.236   7.8384 -16.60657 11.84936 
1 1 1    8   20   20 o  107.240   10.482   40.626   7.6803   34.048   10.932   47.038   10.793   96.439   16.999  114.650   13.884 -18.21150 21.94871 
1 1 1    8   22    0 o  532.130   4.9268  980.083   18.145  946.360   24.952  1017.93   26.434  522.848   6.8954  542.254   7.0434 -19.40570 9.856725 
1 1 1    8   22    1 o  327.957   8.9726  372.439   20.366  372.439   20.366   0.0000   0.0000  327.957   8.9726  ?   ?  0.000000 8.972571 
1 1 1    8   22    2 o  763.832   12.080  2021.46   63.862  2021.46   63.862   0.0000   0.0000  763.832   12.080  ?   ?  0.000000 12.08011 
1 1 1    8   22    3 o  729.869   5.8331  1843.99   29.466  1736.10   56.738  1883.84   34.481  707.898   11.580  737.677   6.7536 -29.77911 13.40584 
1 1 1    8   22    4 f  517.053   9.9935  925.854   35.763  925.854   35.763   0.0000   0.0000  517.053   9.9935  ?   ?  0.000000 9.993533 
1 1 1    8   22    5 o  691.420   7.9429  1655.01   38.010   0.0000   0.0000  1655.01   38.010  ?   ?   691.420   7.9429 0.000000 7.942851 
1 1 1    8   22    7 o  1967.35   13.300 13404.66  181.093 13438.21  256.892 13371.52  255.324  1969.02   18.851  1964.14   18.782 4.880859 26.61027 
1 1 1    8   22    8 o  340.388   4.4049  400.986   10.377  416.765   15.087  386.817   14.296  347.006   6.2818  334.306   6.1788 12.69934 8.811319 
1 1 1    8   22    9 o  707.468   8.1369  1732.55   39.842  1732.55   39.842   0.0000   0.0000  707.468   8.1369  ?   ?  0.000000 8.136925 
1 1 1    8   22   10 o  991.647   7.3136  3403.98   50.196  3504.91   73.146  3314.15   69.010  1006.09   10.505  978.340   10.192 27.74445 14.63608 
1 1 1    8   22   11 o  545.988   5.1039  1031.79   19.287  1106.01   28.685  970.563   26.055  565.228   7.3326  529.495   7.1098 35.73352 10.21356 
1 1 1    8   22   12 o  469.366   8.9467  762.927   29.064   0.0000   0.0000  762.927   29.064  ?   ?   469.366   8.9467 0.000000 8.946671 
1 1 1    8   22   13 o  643.583   7.7960  1434.45   34.726   0.0000   0.0000  1434.45   34.726  ?   ?   643.583   7.7960 0.000000 7.795980 
1 1 1    8   22   14 o  208.507   5.6940  150.542   8.2170  136.844   12.310  161.553   11.036  198.704   8.9507  215.952   7.3836 -17.24815 11.60315 
1 1 1    8   22   15 o  448.317   4.9698  696.012   15.420  708.187   22.364  684.976   21.292  452.055   7.1478  444.605   6.9192 7.449829 9.948195 
1 1 1    8   22   16 o  303.881   5.0642  319.873   10.651  334.342   15.538  307.049   14.628  310.522   7.2300  297.588   7.1024 12.93384 10.13492 
1 1 1    8   22   17 o  157.368   7.1417   85.920   7.7785   94.411   11.611   79.005   10.477  164.424   10.254  150.374   10.126 14.05029 14.41087 
1 1 1    8   22   18 o  153.893   8.0158   82.523   8.5082   81.220   14.436   83.217   10.532  151.625   13.911  154.261   9.9169 -2.636490 17.08431 
1 1 1    8   22   19 o  118.396   8.9847   49.117   7.3075   40.139   10.680   57.020   10.020  105.697   15.022  127.145   11.511 -21.44813 18.92569 
1 1 1    8   22   20 o   83.122   12.990   24.902   7.2285   24.850   10.673   24.947   9.8248   81.540   19.225   81.997   17.821 -0.4573288 26.21451 
1 1 1    8   24    0 o  240.602   4.7650  200.367   7.9349  190.952   10.944  210.802   11.522  234.859   6.7327  246.764   6.7461 -11.90492 9.530951 
1 1 1    8   24    1 o  454.895   9.1512  716.585   28.812   0.0000   0.0000  716.585   28.812  ?   ?   454.895   9.1512 0.000000 9.151203 
1 1 1    8   24    2 o  452.319   4.7472  708.133   14.861  702.927   29.876  709.845   17.131  450.531   9.5813  452.853   5.4658 -2.322113 11.03075 
1 1 1    8   24    3 o  302.273   9.4173  316.390   19.702  316.390   19.702   0.0000   0.0000  302.273   9.4173  ?   ?  0.000000 9.417259 
1 1 1    8   24    4 o  441.546   4.6566  674.773   14.231  682.439   30.009  672.549   16.164  443.946   9.7667  440.809   5.2980 3.136841 11.11111 
1 1 1    8   24    5 o  1117.51   9.2965  4323.67   71.903  4162.44  120.652  4412.46   89.541  1095.99   15.906  1128.79   11.461 -32.80310 19.60482 
1 1 1    8   24    6 o  923.656   7.9851  2953.23   51.046  2919.02   88.648  2970.19   62.437  918.012   13.952  926.238   9.7396 -8.226318 17.01543 
1 1 1    8   24    7 o  602.873   5.2167  1257.90   21.767  1242.90   30.744  1272.99   30.823  599.231   7.4130  606.443   7.3436 -7.211548 10.43455 
1 1 1    8   24    8 o  209.626   4.7177  152.083   6.8447  142.425   9.9925  160.619   9.3948  202.849   7.1174  215.422   6.3012 -12.57222 9.505941 
1 1 1    8   24    9 o  440.191   6.5415  670.684   19.930   0.0000   0.0000  670.684   19.930  ?   ?   440.191   6.5415 0.000000 6.541545 
1 1 1    8   24   10 o  637.597   5.4611  1407.07   24.099  1488.47   35.770  1339.42   32.612  655.715   7.8818  622.028   7.5751 33.68732 10.93182 
1 1 1    8   24   11 o  337.663   6.3842  394.684   14.920   0.0000   0.0000  394.684   14.920  ?   ?   337.663   6.3842 0.000000 6.384233 
1 1 1    8   24   12 o  452.993   4.8479  710.282   15.199  753.602   22.464  673.707   20.641  466.545   6.9569  441.127   6.7608 25.41800 9.700924 
1 1 1    8   24   13 o  504.177   7.0013  880.273   24.431   0.0000   0.0000  880.273   24.431  ?   ?   504.177   7.0013 0.000000 7.001323 
1 1 1    8   24   14 o  240.010   5.1990  199.462   8.6362  197.544   13.006  200.975   11.550  238.764   7.8702  240.864   6.9286 -2.100586 10.48554 
1 1 1    8   24   15 o  334.731   5.4085  388.084   12.530  404.515   16.539  365.951   19.196  341.642   6.9947  324.831   8.5384 16.81079 11.03768 
1 1 1    8   24   16 o   88.840   10.718   27.833   6.4573   27.307   9.7026   28.251   8.6514   86.911   16.737   88.838   14.576 -1.927040 22.19471 
1 1 1    8   24   17 o  140.876   7.4913   69.078   7.2779   81.061   11.062   59.933   9.6640  152.235   10.564  130.759   10.774 21.47565 15.08945 
1 1 1    8   24   18 f  173.300   6.7141  104.257   8.0530   97.294   11.895  110.149   10.942  166.739   10.359  177.920   8.8859 -11.18091 13.64764 
1 1 1    8   24   19 o   62.308   15.640   14.256   6.7344   8.4834   10.169   18.766   8.9880   54.492   20.234   71.249   18.170 -16.75661 27.19472 
1 1 1    8   24   20 o   94.796   11.214   31.975   7.2148   26.143   10.676   36.877   9.7882   83.636   18.890  101.070   14.400 -17.43403 23.75246 
1 1 1    8   26    0 o  530.269   7.0381  973.399   25.830  923.415   34.811  1034.63   38.530  516.393   9.7400  546.591   10.185 -30.19727 14.09262 
1 1 1    8   26    1 o  742.978   8.4311  1911.22   43.355   0.0000   0.0000  1911.22   43.355  ?   ?   742.978   8.4311 0.000000 8.431104 
1 1 1    8   26    2 o  606.230   6.1432  1272.11   25.776  1226.34   43.780  1296.40   31.888  595.080   10.630  611.952   7.5290 -16.87152 13.02603 
1 1 1    8   26    3 o  424.957   4.7057  625.019   13.840  607.805   27.910  630.632   15.938  418.977   9.6249  426.852   5.3949 -7.874786 11.03377 
1 1 1    8   26    4 o  512.127   6.8925  907.845   24.430   0.0000   0.0000  907.845   24.430  ?   ?   512.127   6.8925 0.000000 6.892471 
1 1 1    8   26    5 o  307.245   9.9825  326.829   21.228  326.829   21.228   0.0000   0.0000  307.245   9.9825  ?   ?  0.000000 9.982471 
1 1 1    8   26    6 o  762.713   6.0144  2013.43   31.749  1977.56   64.469  2024.91   36.480  755.705   12.326  764.867   6.8911 -9.162109 14.12151 
1 1 1    8   26    7 o  577.678   5.1139  1154.95   20.446  1149.76   43.120  1156.46   23.223  576.270   10.811  578.046   5.8047 -1.776062 12.27108 
1 1 1    8   26    8 o  597.535   7.4220  1235.89   30.694  1207.32   45.624  1259.51   41.487  590.498   11.163  603.162   9.9381 -12.66339 14.94618 
1 1 1    8   26    9 o  1056.70   10.873  3866.56   79.522   0.0000   0.0000  3866.56   79.522  ?   ?   1056.70   10.873 0.000000 10.87317 
1 1 1    8   26   10 o  405.816   4.5901  569.990   12.892  614.616   19.221  533.497   17.382  421.372   6.5909  392.584   6.3972 28.78741 9.184982 
1 1 1    8   26   11 o   98.146   7.3890   33.539   4.9824   36.429   8.2586   31.885   6.2474  101.844   11.943   95.473   9.5839 6.371407 15.31304 
1 1 1    8   26   12 o  187.281   5.2310  121.414   6.7803  109.243   10.202  131.043   9.0744  177.605   8.2996  194.546   6.7394 -16.94121 10.69120 
1 1 1    8   26   13 o  414.874   5.2816  595.908   15.166  631.695   20.071  548.293   23.152  427.085   6.7902  397.813   8.4087 29.27237 10.80803 
1 1 1    8   26   14 o  263.090   5.2990  239.691   9.6489  273.872   13.408  202.976   13.896  281.157   6.8902  241.983   8.2973 39.17422 10.78523 
1 1 1    8   26   15 o  197.382   5.4692  134.957   7.4715  142.481   11.404  129.298   9.8899  202.688   8.1291  193.120   7.3992 9.568222 10.99232 
1 1 1    8   26   16 f  216.559   5.4193  162.503   8.1226  175.535   12.259  152.304   10.845  224.913   7.8752  209.531   7.4782 15.38277 10.86011 
1 1 1    8   26   17 o  126.164   7.9669   55.501   6.9209   41.075   10.526   66.489   9.1859  107.356   14.540  137.907   9.6855 -30.55100 17.47058 
1 1 1    8   26   18 o   73.105   13.360   19.305   6.5109   19.457   10.102   19.197   8.5156   72.718   19.619   72.276   17.261 0.4417648 26.13124 
1 1 1    8   26   19 o  124.213   8.5085   54.006   7.2706   42.643   10.876   63.187   9.7762  108.946   14.807  134.004   10.628 -25.05728 18.22671 
1 1 1    8   26   20 o  171.253   7.7939  102.264   9.2378   90.220   11.997  119.805   14.478  159.921   10.904  184.228   11.411 -24.30733 15.78347 
1 1 1    8   28    0 o  652.231   11.098  1473.17   50.101   0.0000   0.0000  1473.17   50.101  ?   ?   652.231   11.098 0.000000 11.09849 
1 1 1    8   28    1 o  1275.41   8.9840  5631.75   79.304  5489.81  109.135  5790.55  115.436  1258.97   12.525  1292.96   12.900 -33.99072 17.97980 
1 1 1    8   28    2 o  1006.05   7.3834  3503.59   51.411  3429.38   71.187  3584.49   74.327  995.200   10.335  1017.44   10.555 -22.24451 14.77232 
1 1 1    8   28    3 o  343.834   5.4428  409.174   12.952   0.0000   0.0000  409.174   12.952  ?   ?   343.834   5.4428 0.000000 5.442811 
1 1 1    8   28    4 o  184.343   6.8841  117.623   8.7831  138.781   16.127  108.701   10.473  199.853   11.710  177.203   8.5390 22.65021 14.49263 
1 1 1    8   28    5 o  753.910   6.0094  1967.22   31.356  2012.19   65.816  1954.01   35.664  762.287   12.475  751.357   6.8582 10.92999 14.23571 
1 1 1    8   28    6 o  1087.08   9.1134  4090.91   68.568  3904.88  114.410  4195.18   85.655  1061.74   15.569  1100.76   11.243 -39.01733 19.20439 
1 1 1    8   28    7 o  621.287   6.0845  1335.98   26.163  1309.76   47.765  1347.22   31.272  615.045   11.221  623.875   7.2423 -8.829590 13.35507 
1 1 1    8   28    8 f  317.333   10.944  348.683   24.035  348.683   24.035   0.0000   0.0000  317.333   10.944  ?   ?  0.000000 10.94360 
1 1 1    8   28    9 o  263.202   5.5546  239.775   10.119  238.049   22.160  240.230   11.374  262.159   12.213  263.445   6.2378 -1.285706 13.71373 
1 1 1    8   28   10 o  523.624   6.9253  949.164   25.098   0.0000   0.0000  949.164   25.098  ?   ?   523.624   6.9253 0.000000 6.925334 
1 1 1    8   28   11 o   90.578   20.341   29.631   12.440   34.854   18.254   25.102   16.999   98.349   26.305   85.027   26.251 13.32143 37.16285 
1 1 1    8   28   12 o  755.327   6.0672  1975.26   31.717  1974.18   44.962  1976.33   44.749  754.938   8.6051  755.353   8.5597 -0.4147949 12.13740 
1 1 1    8   28   13 o  487.435   4.8716  822.583   16.435  856.047   24.103  793.504   22.468  497.130   7.0052  478.639   6.7824 18.49042 9.750615 
1 1 1    8   28   14 o  183.002   5.2538  115.980   6.6543  121.504   10.238  111.940   8.7559  187.220   7.9012  179.732   7.0388 7.487305 10.58180 
1 1 1    8   28   15 o  146.752   6.1331   74.630   6.2294   80.035   9.7985   70.964   8.0702  151.546   9.3882  142.791   8.2003 8.754501 12.46529 
1 1 1    8   28   16 o   58.019   14.594   12.223   5.8551   5.2634   10.894   15.051   6.9433   51.728   20.485   64.307   15.730 -12.57932 25.82802 
1 1 1    8   28   17 o   74.658   11.699   19.907   5.8463   20.265   9.3979   19.682   7.4671   74.312   18.375   73.585   15.166 0.7268372 23.82568 
1 1 1    8   28   18 o  198.690   5.8229  136.981   8.0074  137.052   11.937  136.923   10.797  198.416   8.6923  198.430   7.8618 -0.1368713E-01 11.72028 
1 1 1    8   28   19 o  221.842   7.1143  171.179   10.923  168.081   12.474  181.366   22.620  219.641   8.2059  226.095   14.532 -6.453384 16.68889 
1 1 1    8   30    0 o  410.455   4.7616  583.078   13.527  562.570   18.608  606.059   19.698  403.151   6.6689  418.442   6.8017 -15.29077 9.525588 
1 1 1    8   30    1 o  788.703   6.2090  2153.05   33.893  2095.84   46.767  2216.34   49.190  778.086   8.6842  800.134   8.8825 -22.04852 12.42236 
1 1 1    8   30    2 o  568.833   5.9403  1119.92   23.387  1124.88   39.639  1117.27   28.965  570.005   10.048  568.136   7.3663 1.869019 12.45861 
1 1 1    8   30    3 o  360.937   5.5144  450.888   13.776  402.829   23.344  476.565   17.063  341.110   9.8879  371.061   6.6442 -29.95142 11.91283 
1 1 1    8   30    4 o  1319.86   10.721  6031.23   97.935  5985.37  169.185  6054.35  120.103  1314.20   18.600  1322.23   13.124 -8.023560 22.76440 
1 1 1    8   30    5 o  523.919   5.0317  949.989   18.246  904.878   37.125  964.355   20.950  511.241   10.492  527.857   5.7345 -16.61606 11.95710 
1 1 1    8   30    6 o  1198.42   9.8994  4972.10   82.110  4654.63  133.845  5163.69  103.974  1159.10   16.684  1221.16   12.302 -62.05737 20.72923 
1 1 1    8   30    7 o  217.298   4.9248  163.421   7.4067  161.707   19.239  163.719   8.0253  215.697   12.947  217.494   5.3313 -1.797028 14.00167 
1 1 1    8   30    8 f  655.000   5.5239  1484.92   25.042  1432.68   51.624  1501.00   28.636  643.190   11.597  658.519   6.2831 -15.32953 13.18934 
1 1 1    8   30    9 o  403.773   5.0054  564.281   13.988   0.0000   0.0000  564.281   13.988  ?   ?   403.773   5.0054 0.000000 5.005420 
1 1 1    8   30   10 o  320.825   8.1861  356.392   18.177  367.805   26.738  346.585   24.785  325.822   11.857  316.300   11.322 9.521942 16.39432 
1 1 1    8   30   11 o  165.253   11.676   95.113   13.269  131.268   20.259   67.951   17.559  193.928   15.216  138.613   18.787 55.31436 24.17569 
1 1 1    8   30   12 o  178.082   11.152  110.386   13.676  115.073   19.727  106.049   18.975  181.315   15.880  173.996   15.934 7.318741 22.49576 
1 1 1    8   30   13 o  368.198   11.082  470.439   28.240  470.439   28.240   0.0000   0.0000  368.198   11.082  ?   ?  0.000000 11.08178 
1 1 1    8   30   14 o  199.985   4.9955  138.507   6.9143  148.865   10.029  129.122   9.5459  207.253   6.9914  193.014   7.1458 14.23857 9.997128 
1 1 1    8   30   15 o   67.591   10.006   16.214   4.5395   7.5420   7.9003   20.488   5.5466   50.209   17.955   76.009   10.852 -25.80048 20.97957 
1 1 1    8   30   16 o  223.749   4.8798  173.461   7.5568  191.688   11.551  159.825   9.9915  235.048   7.1006  214.655   6.7253 20.39365 9.780023 
1 1 1    8   30   17 o   89.784   10.920   28.521   6.6461   12.049   17.812   31.186   7.1634   68.746   26.492   93.883   11.248 -25.13683 28.78103 
1 1 1    8   30   18 o   89.334   10.261   28.219   6.2293   16.640   9.4988   36.956   8.2514   67.441   19.345  102.064   11.905 -34.62386 22.71411 
1 1 1    8   30   19 o   72.443   13.201   19.050   6.3749   24.549   9.4709   14.494   8.6199   81.464   17.330   62.943   18.537 18.52065 25.37619 
1 1 1    8   32    0 o  608.441   6.1978  1281.31   26.099  1264.46   31.587  1317.56   46.336  604.404   7.5509  616.885   10.853 -12.48053 13.22112 
1 1 1    8   32    1 o  1113.48   8.0485  4291.73   62.026  4146.87   84.646  4459.72   91.152  1094.39   11.175  1134.90   11.605 -40.50781 16.11066 
1 1 1    8   32    2 o  835.272   6.4795  2414.78   37.458  2402.16   52.787  2427.57   53.163  833.016   9.1558  837.410   9.1727 -4.394287 12.96023 
1 1 1    8   32    3 o  346.134   4.7371  414.644   11.348  419.765   15.842  409.245   16.264  348.251   6.5726  343.857   6.8340 4.393860 9.481756 
1 1 1    8   32    4 o  202.904   6.7925  142.498   9.5388  151.805   18.848  139.293   11.060  208.963   13.099  200.603   7.9658 8.360596 15.33062 
1 1 1    8   32    5 o  1552.36   10.701  8343.28  114.970  8092.68  223.522  8433.43  134.064  1527.83   21.138  1560.60   12.412 -32.77100 24.51296 
1 1 1    8   32    6 f  685.334   5.7206  1625.61   27.135  1578.05   54.907  1640.98   31.213  675.074   11.752  688.551   6.5496 -13.47656 13.45351 
1 1 1    8   32    7 o  887.365   7.8377  2725.79   48.136  2733.66   85.252  2722.11   58.322  888.336   13.866  886.697   9.5035 1.638733 16.81011 
1 1 1    8   32    8 o  761.610   6.0681  2007.77   31.986  1940.00   64.729  2029.66   36.792  748.362   12.497  765.723   6.9423 -17.36115 14.29600 
1 1 1    8   32    9 o  566.301   5.1530  1110.02   20.197  1132.19   45.032  1104.44   22.597  571.704   11.381  564.860   5.7802 6.843811 12.76445 
1 1 1    8   32   10 o   87.410   21.086   27.617   12.609   32.522   19.347   23.995   16.625   95.611   27.661   83.351   25.998 12.25941 37.96146 
1 1 1    8   32   11 o  594.263   8.0758  1223.11   33.216  1251.22   47.896  1197.07   46.103  600.794   11.519  587.666   11.335 13.12762 16.16041 
1 1 1    8   32   12 o  105.176   23.927   40.205   17.024   40.205   17.024   0.0000   0.0000  105.176   23.927  ?   ?  0.000000 23.92651 
1 1 1    8   32   13 o   48.434   20.334   1.1948   11.524 -18.8829   17.083   17.961   15.611   44.892   21.164   74.313   25.329 -29.42048 33.00753 
1 1 1    8   32   14 o  280.708   8.3086  273.321   16.142  281.561   23.618  266.098   22.113  284.547   11.992  276.672   11.548 7.875092 16.64862 
1 1 1    8   32   15 o   75.076   21.698   20.350   11.910   10.317   18.137   27.956   15.792   67.909   26.575   87.539   24.887 -19.63010 36.40912 
1 1 1    8   32   16 o   40.864   14.474   5.0815   5.1221   4.4791   5.4308   9.9317   15.410   40.190   14.813   63.788   24.625 -23.59744 28.73676 
1 1 1    8   32   17 o   70.589   13.526   18.036   6.3676   17.425   6.8140   22.249   17.887   69.156   14.690   80.187   27.114 -11.03116 30.83753 
1 1 1    8   32   18 o  244.880   7.4348  208.557   12.601  208.557   12.601   0.0000   0.0000  244.880   7.4348  ?   ?  0.000000 7.434793 
1 1 1    8   32   19 o  114.198   10.873   46.153   8.4897   49.225   9.4738   33.629   19.130  117.749   11.783   93.314   27.651 24.43505 30.05660 
1 1 1    8   34    0 o  560.721   5.2254  1088.15   20.279  1028.75   27.551  1158.38   29.958  545.175   7.3016  578.501   7.4823 -33.32587 10.45455 
1 1 1    8   34    1 o  116.207   10.081   47.103   8.0277   47.159   9.5455   46.966   14.837  116.080   12.057  114.848   19.354 1.232132 22.80262 
1 1 1    8   34    3 o  611.171   5.4079  1292.77   22.875  1231.76   31.126  1364.43   33.732  596.541   7.5389  627.841   7.7627 -31.30035 10.82098 
1 1 1    8   34    4 o  512.975   5.0302  910.721   17.859  873.705   24.573  952.157   26.000  502.416   7.0668  524.487   7.1623 -22.07013 10.06175 
1 1 1    8   34    5 o  975.107   14.696  3293.66   99.178  3293.66   99.178   0.0000   0.0000  975.107   14.696  ?   ?  0.000000 14.69561 
1 1 1    8   34    6 o  900.097   6.8504  2804.35   42.676  2663.90   83.118  2854.63   49.732  876.946   13.695  908.093   7.9127 -31.14728 15.81616 
1 1 1    8   34    7 o  505.075   10.730  883.415   37.510  883.415   37.510   0.0000   0.0000  505.075   10.730  ?   ?  0.000000 10.73047 
1 1 1    8   34    8 o  399.382   6.5133  552.151   18.004   0.0000   0.0000  552.151   18.004  ?   ?   399.382   6.5133 0.000000 6.513330 
1 1 1    8   34    9 o  491.306   4.8804  835.489   16.595  896.585   38.938  821.929   18.345  508.733   11.059  487.290   5.4393 21.44312 12.32419 
1 1 1    8   34   10 f  235.310   9.3085  191.801   15.160  194.146   22.360  189.805   20.624  236.213   13.736  233.633   12.803 2.579575 18.77784 
1 1 1    8   34   11 f  527.647   7.7660  964.367   28.361  959.512   40.012  969.268   40.205  526.070   10.989  528.738   10.986 -2.667908 15.53920 
1 1 1    8   34   12 o   95.119   18.818   32.641   11.950   21.522   17.264   42.868   16.557   80.243   26.633  108.704   22.737 -28.46065 35.01838 
1 1 1    8   34   13 o   91.386   19.315   30.298   11.834   22.263   17.382   37.239   16.157   81.060   26.715  100.943   23.557 -19.88329 35.61757 
1 1 1    8   34   14 o  133.682   18.362   63.756   16.540   0.0000   0.0000   63.756   16.540  ?   ?   133.682   18.362 0.000000 18.36205 
1 1 1    8   34   15 o   42.257   18.826  -4.1570   11.132   1.2244   17.171  -8.0585   14.620   58.079   24.625   46.401   21.044 11.67765 32.39197 
1 1 1    8   34   16 o   43.236   19.014  -2.6370   11.002 -17.4683   15.736   11.546   15.388   42.727   20.195   65.482   24.771 -22.75557 31.95991 
1 1 1    8   34   17 f   77.697   26.137   21.000   16.621   21.000   16.621   0.0000   0.0000   77.697   26.137  ?   ?  0.000000 26.13747 
1 1 1    8   34   18 o  180.289   5.7522  112.847   7.1776  111.004   7.6877  125.366   20.037  178.762   6.2136  187.518   15.580 -8.756012 16.77305 
1 1 1    8   34   19 o   75.164   12.881   20.494   6.4599   16.635   6.8636   50.439   19.117   67.080   15.142  114.366   24.861 -47.28520 29.10949 
1 1 1    8   36    0 o  309.629   5.7869  331.811   12.401  302.341   20.276  349.423   15.675  295.522   9.9133  317.730   7.1281 -22.20810 12.20998 
1 1 1    8   36    1 o  1242.45   8.8227  5343.75   75.868  5260.03  105.495  5433.42  109.188  1232.50   12.367  1252.63   12.594 -20.13489 17.65121 
1 1 1    8   36    2 o  826.054   6.4639  2361.78   36.956  2300.42   50.974  2429.77   53.655  815.185   9.0347  837.783   9.2535 -22.59802 12.93263 
1 1 1    8   36    3 o  613.826   6.2660  1304.10   26.620  1232.19   43.121  1348.38   33.838  596.572   10.443  624.130   7.8335 -27.55798 13.05488 
1 1 1    8   36    4 o  836.594   7.4731  2422.66   43.270  2363.99   52.065  2553.66   77.803  826.349   9.1035  858.679   13.091 -32.32928 15.94552 
1 1 1    8   36    5 o  769.208   7.1974  2048.11   38.317  1973.17   65.286  2087.50   47.326  754.793   12.497  776.514   8.8059 -21.72156 15.28810 
1 1 1    8   36    6 o  467.141   5.8829  755.327   19.020  722.439   33.729  770.663   23.032  456.748   10.670  471.838   7.0528 -15.09024 12.78989 
1 1 1    8   36    7 o  1019.03   10.653  3596.41   75.134   0.0000   0.0000  3596.41   75.134  ?   ?   1019.03   10.653 0.000000 10.65297 
1 1 1    8   36    8 o  449.249   4.8545  698.565   15.094  693.171   33.709  699.919   16.881  447.334   10.888  449.673   5.4241 -2.338928 12.16388 
1 1 1    8   36    9 o  752.702   6.0621  1961.36   31.581  1937.56   65.556  1968.55   36.038  747.647   12.669  754.039   6.9054 -6.391235 14.42863 
1 1 1    8   36   10 o  539.914   7.8599  1009.63   29.371  1019.51   41.813 1000.000   41.266  542.320   11.140  537.108   11.101 5.211548 15.72645 
1 1 1    8   36   11 o  387.025   7.6418  518.927   20.470  570.244   30.228  475.463   27.819  405.489   10.771  370.254   10.856 35.23502 15.29252 
1 1 1    8   36   12 o  470.684   7.5962  767.797   24.746  781.951   35.649  754.634   34.378  474.638   10.852  466.299   10.652 8.338776 15.20634 
1 1 1    8   36   13 o  177.566   13.998  110.488   17.064   0.0000   0.0000  110.488   17.064  ?   ?   177.566   13.998 0.000000 13.99828 
1 1 1    8   36   14 o  258.096   8.4213  231.212   15.043  247.902   22.562  217.854   20.184  266.809   12.218  250.187   11.657 16.62193 16.88650 
1 1 1    8   36   15 o  127.025   13.789   57.046   11.928   68.537   17.052   46.039   16.690  138.374   18.251  112.011   22.313 26.36368 28.82606 
1 1 1    8   36   16 o  121.961   15.240   53.048   12.583   52.976   17.754   53.122   17.837  120.017   22.190  120.163   22.267 -0.1465149 31.43658 
1 1 1    8   36   17 o   53.149   21.395   5.1443   12.079  -5.1268   16.583   16.751   17.628   51.603   22.984   73.213   26.733 -21.60959 35.25510 
1 1 1    8   36   18 o  175.475   11.526  108.512   13.920   98.780   18.937  119.951   20.532  165.723   16.740  182.902   16.393 -17.17882 23.42975 
1 1 1    8   38    0 o  393.822   4.9823  536.780   13.580  537.489   19.054  536.049   19.360  394.060   6.9863  393.530   7.1080 0.5297241 9.966567 
1 1 1    8   38    1 o  886.374   6.8172  2719.41   41.822  2573.42   56.150  2901.31   62.676  862.169   9.4097  915.430   9.8924 -53.26068 13.65293 
1 1 1    8   38    2 o  370.695   5.8363  475.611   14.974  464.473   17.766  502.927   27.822  366.315   7.0075  381.120   10.548 -14.80475 12.66329 
1 1 1    8   38    3 o  839.686   7.5346  2440.67   43.788  2391.02   52.747  2550.73   78.540  831.044   9.1705  858.150   13.224 -27.10553 16.09238 
1 1 1    8   38    4 o  747.761   6.0922  1935.37   31.529  1903.25   43.848  1969.75   45.370  741.456   8.5444  754.292   8.6906 -12.83563 12.18746 
1 1 1    8   38    5 o  438.361   4.9681  665.085   15.073  635.497   20.629  698.972   22.077  428.467   6.9564  449.353   7.0986 -20.88608 9.938948 
1 1 1    8   38    6 o  888.236   6.8591  2731.17   42.167  2887.32   90.819  2688.26   47.610  912.757   14.376  881.187   7.8064 31.57007 16.35896 
1 1 1    8   38    7 o  1260.27   8.9487  5499.98   78.055  5473.17  157.000  5508.78   89.961  1255.94   18.062  1261.15   10.307 -5.210327 20.79532 
1 1 1    8   38    8 o  620.424   6.5136  1332.61   27.970  1310.73   49.849  1342.67   33.790  615.023   11.711  622.702   7.8403 -7.678101 14.09293 
1 1 1    8   38    9 o  644.963   5.5559  1440.07   24.801  1412.68   51.873  1448.19   28.237  638.374   11.740  646.742   6.3083 -8.367126 13.32793 
1 1 1    8   38   10 o  639.169   11.749  1417.07   51.974  1417.07   51.974   0.0000   0.0000  639.169   11.749  ?   ?  0.000000 11.74886 
1 1 1    8   38   11 o  559.299   7.9187  1084.07   30.653  1068.78   43.241  1099.51   43.460  554.936   11.258  562.873   11.156 -7.936523 15.84939 
1 1 1    8   38   12 o  144.889   12.425   73.507   12.339   86.488   17.642   61.073   17.266  156.612   16.525  130.695   19.699 25.91652 25.71266 
1 1 1    8   38   13 o  185.577   10.424  120.036   13.334  130.244   19.736  111.463   18.086  192.636   14.919  178.141   14.803 14.49530 21.01694 
1 1 1    8   38   14 o  184.282   10.308  118.472   13.094  116.049   19.185  120.585   17.915  181.479   15.421  185.287   14.075 -3.808868 20.87838 
1 1 1    8   38   16 o   95.053   25.889   33.898   17.493   33.898   17.493   0.0000   0.0000   95.053   25.889  ?   ?  0.000000 25.88931 
1 1 1    8   38   17 o  134.960   14.700   64.988   13.509   56.732   18.628   74.146   19.619  123.480   22.630  142.378   20.500 -18.89775 30.53515 
1 1 1    8   38   18 o   49.787   22.656  -8.5122   17.129   0.0000   0.0000  -8.5122   17.129  ?   ?    49.787   22.656 0.000000 22.65576 
1 1 1    8   40    0 o  875.195   7.8379  2651.57   47.477  2549.76   79.598  2707.79   59.150  857.952   13.405  884.348   9.6640 -26.39594 16.52523 
1 1 1    8   40    1 o  436.678   5.1089  659.983   15.441  649.046   21.453  671.738   22.241  433.015   7.1583  440.517   7.2947 -7.502289 10.22030 
1 1 1    8   40    2 o  1107.22   8.0588  4244.03   61.756  4074.23   83.666  4447.27   91.536  1084.66   11.145  1133.19   11.671 -48.53064 16.13769 
1 1 1    8   40    3 o  519.526   5.2176  934.187   18.761  915.454   25.841  955.067   27.281  514.250   7.2603  525.253   7.5045 -11.00244 10.44172 
1 1 1    8   40    4 o  645.557   5.6795  1442.48   25.376  1417.13   35.201  1469.90   36.614  639.794   7.9496  651.592   8.1189 -11.79742 11.36274 
1 1 1    8   40    5 o  834.212   6.5539  2409.00   37.840  2382.09   52.803  2437.41   54.255  829.413   9.1983  838.980   9.3436 -9.567078 13.11149 
1 1 1    8   40    6 o  793.966   7.4039  2182.47   40.685  2101.46   69.770  2224.21   50.082  778.729   12.945  801.434   9.0290 -22.70428 15.78287 
1 1 1    8   40    7 o  664.083   12.088  1528.29   55.558  1528.29   55.558   0.0000   0.0000  664.083   12.088  ?   ?  0.000000 12.08779 
1 1 1    8   40    8 o  509.220   6.2166  897.757   21.910  831.219   37.688  931.724   26.927  489.738   11.119  518.709   7.5005 -28.97137 13.41214 
1 1 1    8   40    9 o  208.417   5.8573  150.399   8.4490  131.122   20.145  154.514   9.3072  193.720   15.146  211.238   6.3660 -17.51801 16.42919 
1 1 1    8   40   10 o  761.504   7.1845  2008.91   37.866  1956.10   66.116  2034.68   46.192  750.565   12.727  766.180   8.7108 -15.61560 15.42287 
1 1 1    8   40   11 o  322.000   7.8592  359.400   17.515  354.927   24.796  363.854   24.744  319.716   11.206  323.728   11.044 -4.011292 15.73317 
1 1 1    8   40   12 o   78.506   25.644   21.078   16.030   0.0000   0.0000   21.078   16.030  ?   ?    78.506   25.644 0.000000 25.64443 
1 1 1    8   40   13 o  106.438   16.366   40.537   11.670   41.029   16.944   40.093   16.097  105.627   23.754  104.535   22.883 1.091881 32.98343 
1 1 1    8   40   14 o  166.189   11.026   96.601   12.610  106.683   18.585   88.000   17.166  173.796   15.617  157.643   15.953 16.15326 22.32454 
1 1 1    8   40   15 o  163.723   15.878   95.122   17.766   95.122   17.766   0.0000   0.0000  163.723   15.878  ?   ?  0.000000 15.87788 
1 1 1    8   40   16 o  188.327   11.080  124.367   14.378  106.976   19.350  145.805   21.484  173.249   16.330  202.774   15.424 -29.52576 22.46250 
1 1 1    8   40   17 o  242.404   9.5674  205.214   16.051  215.073   22.940  195.756   22.468  246.704   13.486  235.191   13.864 11.51274 19.34121 
1 1 1    8   42    0 o  1412.39   9.8963  6907.69   96.739  6672.51  131.750  7182.83  142.502  1387.73   13.717  1439.75   14.301 -52.01416 19.81599 
1 1 1    8   42    1 o  1100.71   8.0405  4194.48   61.254  4112.21   84.872  4283.93   88.492  1089.64   11.254  1112.14   11.497 -22.49829 16.08801 
1 1 1    8   42    2 o  304.730   6.1524  321.433   12.976  321.395   15.768  321.512   22.840  304.694   7.4769  304.685   10.831 0.8209229E-02 13.16114 
1 1 1    8   42    3 o  235.509   6.9717  192.006   11.364  167.630   13.133  264.634   22.669  220.032   8.6240  276.395   11.850 -56.36284 14.65615 
1 1 1    8   42    4 o  541.351   5.3922  1014.39   20.203  997.890   27.818  1032.80   29.390  536.875   7.4864  546.176   7.7749 -9.300903 10.79331 
1 1 1    8   42    5 o  939.770   8.1924  3058.03   53.285  2981.95   88.462  3101.35   66.754  927.515   13.780  946.253   10.193 -18.73816 17.14033 
1 1 1    8   42    6 o  515.294   7.4187  919.381   26.458   0.0000   0.0000  919.381   26.458  ?   ?   515.294   7.4187 0.000000 7.418682 
1 1 1    8   42    7 o  342.851   6.1218  406.960   14.526  377.805   27.107  418.706   17.206  330.138   11.864  347.735   7.1490 -17.59729 13.85102 
1 1 1    8   42    8 o  259.629   6.4065  233.413   11.512  219.122   22.754  238.329   13.346  250.962   13.146  262.323   7.3510 -11.36108 15.06152 
1 1 1    8   42    9 o  361.752   4.8221  453.073   12.073  443.805   27.279  455.331   13.464  357.687   11.019  362.633   5.3644 -4.945404 12.25541 
1 1 1    8   42   10 o  229.144   4.8197  181.810   7.6438  160.244   21.023  185.096   8.2054  214.173   14.264  231.197   5.1279 -17.02318 15.15768 
1 1 1    8   42   11 o  294.241   11.651  300.878   23.727   0.0000   0.0000  300.878   23.727  ?   ?   294.241   11.651 0.000000 11.65112 
1 1 1    8   42   12 o  178.440   10.746  111.075   13.210  111.024   18.970  111.122   18.405  177.621   15.589  177.790   15.100 -0.1682434 21.70332 
1 1 1    8   42   13 o  184.338   10.170  118.525   12.925  129.073   19.655  110.488   17.157  191.550   14.944  177.303   14.098 14.24715 20.54434 
1 1 1    8   42   14 o  142.279   12.087   71.149   11.790   79.122   17.808   64.927   15.731  148.879   17.625  134.763   17.263 14.11583 24.67044 
1 1 1    8   42   15 o   42.910   19.081  -3.8060   11.381  -5.3268   16.026  -2.2590   16.164   50.665   22.579   53.217   23.233 -2.552197 32.39682 
1 1 1    8   42   16 o  224.610   9.7694  176.059   15.187  152.195   20.374  205.902   22.783  207.384   14.281  241.563   13.683 -34.17900 19.77862 
1 1 1    8   42   17 o   77.134   27.950   19.824   19.216   0.0000   0.0000   19.824   19.216  ?   ?    77.134   27.950 0.000000 27.94980 
1 1 1    8   44    0 f  734.590   6.1446  1867.94   31.241  1830.35   43.192  1909.18   45.241  727.062   8.5833  742.541   8.8030 -15.47882 12.29500 
1 1 1    8   44    1 f  545.331   7.6701  1029.60   28.949  978.049   40.243  1084.88   41.676  531.379   10.942  559.656   10.759 -28.27722 15.34591 
1 1 1    8   44    2 o  353.610   5.3565  432.809   13.109  413.399   17.827  455.665   19.345  345.552   7.4539  362.782   7.7045 -17.22958 10.72011 
1 1 1    8   44    3 o  632.814   5.6759  1386.18   24.859  1321.06   33.744  1463.46   36.762  617.692   7.8931  650.120   8.1702 -32.42755 11.36018 
1 1 1    8   44    4 o  650.604   8.0798  1465.70   36.383  1463.90   49.586  1467.81   53.548  650.034   11.022  650.839   11.888 -0.8054810 16.21085 
1 1 1    8   44    5 o  185.898   6.8133  119.649   8.7662  124.265   11.822  114.011   13.066  189.415   9.0177  181.103   10.469 8.312103 13.81708 
1 1 1    8   44    6 o  654.990   5.7445  1485.23   26.041  1496.37   36.899  1474.18   36.758  657.305   8.1108  652.413   8.1405 4.892639 11.49147 
1 1 1    8   44    7 o  475.992   7.8607  784.804   25.896  761.951   35.844  809.756   37.454  468.793   11.047  483.263   11.198 -14.46988 15.73026 
1 1 1    8   44    8 o  252.557   13.066  222.049   22.761  222.049   22.761   0.0000   0.0000  252.557   13.066  ?   ?  0.000000 13.06609 
1 1 1    8   44    9 f  176.918   8.2183  108.492   10.063  153.610   20.084   93.369   11.628  209.742   13.914  163.726   10.314 46.01541 17.32017 
1 1 1    8   44   10 o  124.027   6.8625   53.470   5.8680   8.1512   18.090   58.799   6.2034   66.065   26.324  130.075   6.9155 -64.01035 27.21688 
1 1 1    8   44   11 o  394.441   7.7600  539.578   21.184  520.488   29.822  559.024   30.099  386.956   11.135  401.072   10.843 -14.11548 15.54229 
1 1 1    8   44   12 o  180.687   10.574  113.918   13.165   98.244   18.127  131.415   19.152  166.838   15.890  193.471   14.406 -26.63235 21.44849 
1 1 1    8   44   13 o  220.350   9.2676  168.798   14.134  168.098   20.650  169.415   19.386  218.884   13.700  219.935   12.791 -1.050934 18.74282 
1 1 1    8   44   14 o  158.299   16.204   89.073   17.503   89.073   17.503   0.0000   0.0000  158.299   16.204  ?   ?  0.000000 16.20409 
1 1 1    8   44   15 f   58.388   21.877   9.5004   11.940   20.478   16.952  -1.3078   16.821   77.203   26.394   54.932   23.844 22.27126 35.56953 
1 1 1    8   44   16 o   65.242   26.368   8.4634   18.426   0.0000   0.0000   8.4634   18.426  ?   ?    65.242   26.368 0.000000 26.36776 
1 1 1    8   44   17 o   97.303   20.436   35.623   13.325   37.644   18.088   33.224   19.704   98.367   26.127   92.548   28.208 5.819153 38.44928 
1 1 1    8   46    0 o   63.003   19.790   13.610   9.6138   23.075   11.595  -7.2146   17.198   80.017   20.759   52.303   23.343 27.71450 31.23803 
1 1 1    8   46    1 o  500.024   5.3553  865.459   18.533  827.603   25.306  909.256   27.219  488.902   7.4786  512.446   7.6744 -23.54358 10.71566 
1 1 1    8   46    2 o  297.682   6.7055  306.792   13.815  280.049   23.372  321.154   17.128  284.276   11.879  304.538   8.1261 -20.26151 14.39263 
1 1 1    8   46    3 o  493.030   6.0721  841.519   20.720  856.097   34.665  833.416   25.845  497.112   10.075  490.596   7.6115 6.515930 12.62733 
1 1 1    8   46    4 o  581.724   5.5042  1171.48   22.161  1125.52   30.299  1224.36   32.498  570.101   7.6788  594.596   7.8969 -24.49579 11.01474 
1 1 1    8   46    5 o  648.814   5.7441  1457.42   25.794  1448.71   36.013  1466.59   36.962  646.733   8.0456  650.699   8.2073 -3.966553 11.49306 
1 1 1    8   46    6 o  500.090   5.8965  865.943   20.409  848.781   32.817  876.767   26.062  494.879   9.5812  503.118   7.4844 -8.239105 12.15793 
1 1 1    8   46    7 o   67.276   18.346   16.273   8.7782   11.566   17.522   17.850   10.143   69.002   26.353   70.608   19.900 -1.605515 33.02290 
1 1 1    8   46    8 o  393.987   5.1052  537.503   13.921  515.610   29.073  544.016   15.857  385.453   10.898  396.332   5.7808 -10.87900 12.33607 
1 1 1    8   46    9 o  285.867   5.1875  283.015   10.264  267.561   22.673  286.998   11.510  277.506   11.805  287.845   5.7777 -10.33917 13.14282 
1 1 1    8   46   10 o  268.103   5.9597  249.047   11.059  232.390   23.489  253.791   12.535  258.035   13.197  270.601   6.6928 -12.56610 14.79685 
1 1 1    8   46   11 o  297.421   8.2423  306.981   16.967  311.659   23.799  302.146   24.195  299.282   11.489  294.626   11.865 4.655975 16.51639 
1 1 1    8   46   12 o   78.436   20.890   22.514   11.543   30.610   16.640   15.005   16.027   91.216   25.413   70.483   25.527 20.73312 36.02014 
1 1 1    8   46   13 o   57.454   23.713   4.0551   15.287   4.0551   15.287   0.0000   0.0000   57.454   23.713  ?   ?  0.000000 23.71290 
1 1 1    8   46   14 o  184.929   10.389  119.645   13.243  100.244   18.127  141.854   19.394  167.982   15.776  200.553   14.061 -32.57011 21.13317 
1 1 1    8   46   15 o  129.971   14.948   60.343   13.201   71.512   18.418   48.541   18.932  140.214   19.508  113.408   24.810 26.80637 31.56061 
1 1 1    8   46   16 o  104.682   19.117   40.533   13.340   50.927   19.164   30.761   18.581  115.575   24.706   89.893   27.391 25.68272 36.88735 
1 1 1    8   48    0 o  480.298   5.3801  798.583   17.885  805.899   24.918  790.809   25.685  482.417   7.4631  477.866   7.7659 4.551239 10.77061 
1 1 1    8   48    1 o  506.983   5.3877  889.790   18.905  900.713   26.712  878.828   26.760  509.998   7.5676  503.759   7.6751 6.238922 10.77845 
1 1 1    8   48    2 o  594.856   5.6204  1225.03   23.140  1192.43   31.975  1260.88   33.529  586.772   7.8734  603.371   8.0291 -16.59894 11.24525 
1 1 1    8   48    3 o  332.200   5.3835  382.050   12.378  378.887   17.156  385.484   17.876  330.759   7.4942  333.617   7.7417 -2.858337 10.77484 
1 1 1    8   48    4 o  272.173   5.6812  256.481   10.702  243.534   14.606  271.487   15.725  265.150   7.9592  279.949   8.1159 -14.79861 11.36733 
1 1 1    8   48    6 o  194.008   7.0587  130.388   9.4782  136.850   11.773  118.488   15.978  198.708   8.5607  184.307   12.601 14.40121 15.23387 
1 1 1    8   48    7 o  388.377   5.0163  522.301   13.484  533.431   18.917  510.805   19.225  392.381   6.9657  383.952   7.2346 8.429626 10.04291 
1 1 1    8   48    8 f  662.200   6.7701  1519.48   31.028  1487.81   54.531  1534.65   37.732  654.335   12.041  665.294   8.1945 -10.95959 14.56489 
1 1 1    8   48    9 o  288.893   7.9926  289.439   15.981   0.0000   0.0000  289.439   15.981  ?   ?   288.893   7.9926 0.000000 7.992605 
1 1 1    8   48   10 o  198.671   5.7076  136.767   7.8482  131.219   19.816  137.799   8.5471  193.307   14.927  199.396   6.1933 -6.089493 16.16060 
1 1 1    8   48   11 o  222.042   5.8037  170.888   8.9190  172.342   19.986  170.527   9.9664  221.889   13.072  221.763   6.4934 0.1259613 14.59585 
1 1 1    8   48   12 o  153.350   11.825   82.499   12.454   77.415   17.632   87.561   17.593  147.280   17.648  157.057   16.428 -9.776581 24.11084 
1 1 1    8   48   13 o   85.860   19.955   27.204   11.633   29.659   16.767   24.927   16.152   89.443   25.715   82.863   25.589 6.580551 36.27761 
1 1 1    8   48   14 o   53.076   21.387   5.0416   12.083   0.5868   17.913   8.7610   16.368   58.114   24.910   63.299   25.097 -5.184898 35.36033 
1 1 1    8   48   15 o   75.359   22.966   20.905   13.061   17.059   18.647   24.610   18.301   74.052   27.419   82.497   27.423 -8.445404 38.77883 
1 1 1    8   50    0 o  174.248   7.9264  105.177   9.5592  105.088   12.910  105.285   14.223  173.767   10.788  173.825   11.894 -0.5772400E-01 16.05721 
1 1 1    8   50    1 o  524.283   5.4434  951.673   19.752  925.193   27.191  981.257   28.740  516.819   7.6017  532.235   7.8021 -15.41547 10.89306 
1 1 1    8   50    2 o  332.669   6.2477  383.232   14.385  390.390   23.422  378.896   18.228  335.583   10.084  330.713   7.9636 4.869659 12.84960 
1 1 1    8   50    3 o  657.117   6.8001  1495.55   30.927  1431.22   52.519  1529.69   38.265  642.279   11.815  664.436   8.3210 -22.15662 14.45067 
1 1 1    8   50    4 o  557.781   5.4678  1077.30   21.108  1061.48   29.341  1094.27   30.391  553.509   7.6590  561.980   7.8134 -8.471191 10.94118 
1 1 1    8   50    5 o  350.799   6.2492  426.234   15.172  425.096   17.755  429.317   29.215  350.272   7.3237  351.647   12.004 -1.374573 14.06150 
1 1 1    8   50    6 o  661.309   5.8075  1514.72   26.581  1490.46   36.886  1540.93   38.339  655.721   8.1277  666.704   8.3086 -10.98273 11.62293 
1 1 1    8   50    7 o  519.551   5.2604  934.880   18.916  910.297   26.015  962.455   27.553  512.478   7.3346  526.930   7.5551 -14.45221 10.52976 
1 1 1    8   50    8 o  148.032   9.7212   76.401   9.9045   0.0000   0.0000   76.401   9.9045  ?   ?   148.032   9.7212 0.000000 9.721174 
1 1 1    8   50    9 o  121.628   9.3172   51.667   7.7835   55.561   17.686   50.731   8.6681  123.925   21.393  120.363   10.511 3.562218 23.83594 
1 1 1    8   50   10 o  303.021   6.2693  318.329   13.148  277.415   23.752  336.406   15.788  282.174   12.162  311.403   7.3253 -29.22864 14.19764 
1 1 1    8   50   11 o   87.013   9.0034   26.594   5.3436   26.063   17.440   26.649   5.6136   85.242   26.634   87.035   9.4720 -1.793221 28.26842 
1 1 1    8   50   12 o  291.072   8.3952  294.514   16.912  313.854   24.401  276.634   23.462  299.829   11.759  281.429   12.045 18.40002 16.83329 
1 1 1    8   50   13 o  218.602   9.6491  166.541   14.599  161.707   22.003  170.342   19.512  213.859   14.960  220.121   12.864 -6.261917 19.72989 
1 1 1    8   50   14 f  160.904   16.475   92.683   18.088   0.0000   0.0000   92.683   18.088  ?   ?   160.904   16.475 0.000000 16.47471 
1 1 1    8   50   15 o  143.479   14.161   73.502   13.879   54.829   19.754   91.707   19.504  119.979   24.614  158.996   18.044 -39.01672 30.51916 
1 1 1    8   52    0 o  428.654   5.3599  636.238   15.902  644.914   22.107  626.937   22.890  431.450   7.4032  425.369   7.7750 6.080963 10.73587 
1 1 1    8   52    1 o  376.564   6.1385  491.099   15.998  503.415   26.503  484.039   20.067  381.002   10.051  373.758   7.7572 7.243408 12.69609 
1 1 1    8   52    2 o  769.687   6.3547  2051.92   33.852  2012.15   46.979  2094.87   48.822  761.866   8.9094  777.343   9.0745 -15.47772 12.71709 
1 1 1    8   52    3 f  404.406   5.2595  566.320   14.721  580.262   20.779  552.271   20.859  409.229   7.3363  399.222   7.5491 10.00690 10.52664 
1 1 1    8   52    4 o  228.313   6.3413  180.572   10.020  163.201   13.711  200.483   14.680  216.936   9.1322  240.459   8.8208 -23.52232 12.69657 
1 1 1    8   52    5 o  145.054   9.1386   73.268   9.1277   67.389   11.302   84.293   15.477  138.774   11.882  154.939   14.606 -16.16531 18.82827 
1 1 1    8   52    6 o  226.771   7.0756  178.235   11.105  177.786   12.793  179.610   22.370  226.427   8.1633  226.657   14.334 -0.2301788 16.49551 
1 1 1    8   52    7 f  365.287   5.0945  462.177   12.880  457.465   17.604  467.605   18.894  363.274   7.0018  367.238   7.4335 -3.964355 10.21186 
1 1 1    8   52    8 o  388.887   5.4511  523.969   14.672  542.927   32.683  519.185   16.419  394.973   11.956  387.047   6.1294 7.926331 13.43547 
1 1 1    8   52    9 o  136.274   8.6487   64.741   8.1149   67.122   18.059   64.139   9.0836  136.752   19.645  135.500   9.7512 1.252167 21.93172 
1 1 1    8   52   10 o   85.437   12.005   25.940   6.9026   42.224   16.571   22.521   7.5927  107.025   23.052   79.043   14.410 27.98174 27.18543 
1 1 1    8   52   11 o  208.809   5.9089  151.210   8.5395  143.854   21.005  152.666   9.3468  201.918   15.141  209.770   6.4379 -7.852112 16.45248 
1 1 1    8   52   12 o  187.169   10.952  122.691   14.126  152.927   21.736  100.585   18.586  207.955   15.208  168.173   16.167 39.78159 22.19570 
1 1 1    8   52   13 o  135.859   14.153   65.630   13.113   56.439   18.964   74.049   18.151  123.168   23.095  143.029   18.790 -19.86121 29.77289 
1 1 1    8   52   14 o   47.411   20.432  -0.2884   12.173   6.3317   18.447  -5.3951   16.202   63.222   26.066   50.500   22.589 12.72198 34.49219 
1 1 1    8   54    0 o   67.994   19.148   16.584   9.3941  -3.2102   14.661   30.370   12.236   50.416   22.065   91.479   19.892 -41.06248 29.70826 
1 1 1    8   54    1 o  382.702   6.1252  507.333   16.224  503.468   19.476  516.097   29.325  381.156   7.3828  385.574   10.989 -4.417908 13.23872 
1 1 1    8   54    2 f  441.198   5.2612  674.121   16.066  682.125   22.497  665.792   22.950  443.654   7.3267  438.289   7.5657 5.364746 10.53184 
1 1 1    8   54    3 o  431.417   5.2992  644.596   15.823  640.663   21.993  648.815   22.781  429.936   7.3911  432.643   7.6080 -2.706512 10.60706 
1 1 1    8   54    4 o  519.873   7.6825  936.965   27.643  934.146   40.121  939.512   38.139  518.571   11.179  520.158   10.594 -1.587891 15.40110 
1 1 1    8   54    5 o  280.431   5.5978  272.427   10.865  270.381   15.049  274.655   15.702  279.240   7.7865  281.418   8.0618 -2.178253 11.20813 
1 1 1    8   54    6 o   68.750   15.699   17.156   7.3060   21.472   9.7720   11.686   11.001   76.773   18.589   60.905   21.241 15.86773 28.22632 
1 1 1    8   54    7 o  401.375   5.7248  558.251   15.903  550.244   25.062  563.649   20.577  398.079   9.0964  403.133   7.3748 -5.053101 11.71036 
1 1 1    8   54    8 o  178.595   6.4991  110.594   8.0333  118.726   10.639   99.808   12.253  184.930   8.3123  169.074   10.523 15.85600 13.40996 
1 1 1    8   54    9 o  182.310   7.9789  115.404   10.068  135.073   21.083  109.594   11.459  195.693   15.698  177.305   9.3708 18.38829 18.28254 
1 1 1    8   54   10 o  359.809   5.7310  448.905   14.272  459.317   27.885  445.209   16.612  362.966   11.100  358.194   6.7010 4.772308 12.96595 
1 1 1    8   54   11 o   39.269   15.280   3.4069   5.9699   16.829   18.267   1.8019   6.3168   74.237   27.197   37.458   15.326 36.77839 31.21809 
1 1 1    8   54   12 o  151.795   12.689   81.326   13.209  111.561   20.931   61.317   17.027  176.604   17.348  129.791   19.563 46.81326 26.14707 
1 1 1    8   54   13 o   66.637   23.148   14.891   13.060  -7.6098   20.234   30.956   17.098   55.622   25.033   90.406   25.959 -34.78336 36.06340 
1 1 1    8   56    0 o  212.571   6.6831  156.589   9.8324  167.872   13.676  144.519   14.146  219.972   8.9831  204.036   10.017 15.93591 13.45509 
1 1 1    8   56    1 o   87.432   13.959   27.269   8.1631   26.887   11.069   27.725   12.087   85.995   19.095   87.219   20.388 -1.223251 27.93399 
1 1 1    8   56    2 o  168.643   7.7560   98.613   9.0528   95.152   12.298  102.707   13.375  165.154   10.819  171.548   11.329 -6.393341 15.66479 
1 1 1    8   56    3 o  429.853   6.0373  640.218   17.961  657.298   22.195  607.805   30.575  435.416   7.3649  418.294   10.561 17.12277 12.87539 
1 1 1    8   56    4 o  204.654   6.5487  145.166   9.2758  135.020   12.934  155.913   13.310  197.204   9.4760  211.942   9.0740 -14.73787 13.11988 
1 1 1    8   56    5 o  338.750   5.3168  397.547   12.465  410.272   17.749  385.162   17.510  343.944   7.4562  333.239   7.5921 10.70511 10.64123 
1 1 1    8   56    6 o  295.135   6.0949  301.914   12.450  323.073   20.374  289.305   15.727  304.935   9.6538  288.753   7.8697 16.18182 12.45506 
1 1 1    8   56    7 o  347.371   6.1364  418.325   14.753  436.956   17.504  372.634   27.412  354.911   7.1261  327.002   12.112 27.90854 14.05283 
1 1 1    8   56    8 o  352.547   5.1146  430.716   12.480  445.687   17.429  414.966   17.877  358.400   7.0265  345.768   7.4701 12.63196 10.25547 
1 1 1    8   56    9 o  184.971   8.1797  118.881   10.472   0.0000   0.0000  118.881   10.472  ?   ?   184.971   8.1797 0.000000 8.179669 
1 1 1    8   56   10 f   85.384   13.314   26.123   7.6115   26.371   17.108   26.062   8.4991   85.090   26.346   84.918   15.010 0.1719131 30.32130 
1 1 1    8   56   11 o  142.004   10.409   70.752   10.159   82.927   20.284   66.675   11.737  151.279   19.852  137.413   12.477 13.86647 23.44764 
1 1 1    8   56   12 o   64.773   10.491   15.031   4.5423   0.0000   0.0000   15.031   4.5423  ?   ?    64.773   10.491 0.000000 10.49090 
1 1 1    8   56   13 o   70.197   23.167   17.588   13.070 -13.4390   20.892   37.541   16.754   53.007   24.454   98.989   24.569 -45.98249 34.66462 
1 1 1    8   58    0 o  428.260   5.3687  635.377   15.913  632.937   22.251  637.931   22.767  427.215   7.5252  428.879   7.6701 -1.664520 10.74518 
1 1 1    8   58    1 o  162.148   8.0328   91.207   9.0148   76.301   12.276  108.651   13.280  147.588   12.125  176.459   10.928 -28.87035 16.32310 
1 1 1    8   58    2 f  196.752   10.824  134.975   14.683  149.561   20.330  119.073   21.228  206.587   14.307  183.730   16.882 22.85686 22.12933 
1 1 1    8   58    3 o   89.375   13.492   28.457   8.0859   24.258   10.920   33.553   12.030   81.490   19.602   96.191   18.744 -14.70021 27.12117 
1 1 1    8   58    4 o   85.884   13.500   26.334   7.7600   25.965   10.785   26.729   11.174   84.348   18.938   85.550   19.328 -1.201187 27.05939 
1 1 1    8   58    5 o   39.464   16.980  -0.6171   8.3814 -23.4829   13.476   13.806   10.703   35.444   17.241   63.780   20.961 -28.33562 27.14041 
1 1 1    8   58    6 o   45.432   17.201   5.2314   7.4246   5.0118   10.275   5.4715   10.740   50.300   19.903   51.698   20.383 -1.398304 28.48854 
1 1 1    8   58    7 o  119.307   9.3176   49.792   7.6328   50.878   10.222   48.424   11.475  120.104   12.480  116.745   14.515 3.359138 19.14208 
1 1 1    8   58    8 o   34.352   14.917  -0.9776   6.5884   1.1374   8.4283  -4.3003   10.564   41.575   17.419   40.776   18.240 0.7988052 25.22128 
1 1 1    8   58    9 o  170.547   8.9415  101.489   10.518   82.195   19.916  108.951   12.386  150.979   19.516  176.512   10.181 -25.53348 22.01214 
1 1 1    8   58   10 o  162.178   8.8793   91.854   9.9288  117.512   21.183   84.631   11.240  181.455   17.068  155.360   10.515 26.09517 20.04694 
1 1 1    8   58   11 o   78.507   14.550   22.397   7.6149   0.0000   0.0000   22.397   7.6149  ?   ?    78.507   14.550 0.000000 14.55037 
1 1 1    8   58   12 o  167.110   5.8427   96.997   6.7576  146.098   23.277   92.478   7.0618  201.762   16.823  163.127   6.2547 38.63489 17.94790 
1 1 1    8   60    0 o  178.557   7.6733  110.620   9.4828  106.736   13.234  114.719   13.595  174.815   10.994  181.275   10.886 -6.459763 15.47163 
1 1 1    8   60    1 o  251.888   6.1040  219.931   10.641  208.286   14.712  232.708   15.411  244.920   8.6789  258.889   8.6009 -13.96855 12.21879 
1 1 1    8   60    2 o  204.081   7.8633  144.539   11.107  154.918   13.093  117.902   20.975  211.192   8.9574  182.663   16.778 28.52884 19.01962 
1 1 1    8   60    3 o  170.392   8.8556  101.118   10.407   99.316   12.162  106.049   20.116  168.647   10.471  173.064   17.014 -4.416992 19.97813 
1 1 1    8   60    4 o  151.350   8.1311   79.763   8.4863   78.750   11.656   80.906   12.380  149.949   11.314  151.910   11.869 -1.960846 16.39773 
1 1 1    8   60    5 o  110.612   10.714   42.994   8.0994   42.543   11.443   43.448   11.466  109.103   15.597  110.312   15.441 -1.209602 21.94775 
1 1 1    8   60    6 o  125.216   11.662   55.153   9.9902   41.732   18.839   60.403   11.783  105.722   25.941  130.806   13.196 -25.08418 29.10480 
1 1 1    8   60    7 o   92.286   11.838   30.211   7.3871   37.524   9.9735   21.324   10.995  102.476   14.464   76.170   20.433 26.30663 25.03441 
1 1 1    8   60    8 o   85.492   16.956   26.671   9.6789   26.671   9.6789   0.0000   0.0000   85.492   16.956  ?   ?  0.000000 16.95650 
1 1 1    8   60    9 o   94.519   15.358   32.257   9.7019   46.322   19.261   27.476   11.231  110.785   25.630   86.219   19.301 24.56601 32.08450 
1 1 1    8   60   10 o   62.246   17.551   14.166   7.8878 -11.1415   20.503   18.562   8.5455   54.052   24.670   70.888   17.518 -16.83549 30.25752 
1 1 1    8   60   11 o  162.306   7.4167   91.697   8.3315  109.317   22.222   88.815   8.9870  173.599   18.796  159.431   8.1720 14.16812 20.49525 
1 1 1    8   62    0 o  140.656   9.1749   69.054   8.8829   66.874   12.357   71.385   12.778  137.788   13.116  142.400   13.112 -4.612061 18.54627 
1 1 1    8   62    1 o  210.558   9.6628  154.178   14.082  169.219   20.516  140.781   19.363  219.662   13.561  200.176   14.065 19.48575 19.53784 
1 1 1    8   62    2 o   94.890   13.076   32.021   8.3594   26.729   11.283   38.461   12.446   85.363   19.522  103.077   18.107 -17.71382 26.62651 
1 1 1    8   62    3 o   41.745   16.825   2.8067   7.4805   6.8948   10.414  -1.5507   10.752   52.977   20.297   43.777   19.033 9.200050 27.82442 
1 1 1    8   62    4 o  190.077   6.9712  125.386   9.1709  122.304   13.128  128.323   12.817  187.152   10.173  191.794   9.6867 -4.641602 14.04734 
1 1 1    8   62    5 o  115.681   10.354   46.987   8.2018   46.158   11.592   47.818   11.606  113.727   15.101  115.851   14.814 -2.123909 21.15390 
1 1 1    8   62    6 o   50.081   17.724   7.7736   7.6792   3.1676   10.568   12.927   11.178   48.383   19.813   62.541   21.433 -14.15712 29.18756 
1 1 1    8   62    7 o  249.561   6.4773  216.195   11.188  223.209   13.971  203.658   18.679  253.375   7.9670  241.478   11.176 11.89696 13.72524 
1 1 1    8   62    8 f   45.703   17.031   5.7346   7.2174   0.2295   9.7426   12.430   10.745   43.264   18.453   61.180   21.011 -17.91624 27.96357 
1 1 1    8   62    9 o   80.273   13.609   23.275   7.2909   21.807   9.6009   25.275   11.206   76.719   18.332   82.388   19.880 -5.668816 27.04203 
1 1 1    8   62   10 o  160.382   8.1904   89.881   9.0613  111.951   25.332   86.643   9.7033  174.524   21.422  157.311   8.9491 17.21346 23.21585 
1 1 1    8   64    0 o  159.349   11.643   89.060   12.752   78.049   17.489  101.561   18.635  147.850   17.426  169.248   16.102 -21.39854 23.72638 
1 1 1    8   64    1 o  320.509   5.6097  356.180   12.444  356.766   17.278  355.548   17.937  320.484   7.7895  319.888   8.1019 0.5962524 11.23904 
1 1 1    8   64    2 o  144.663   8.7250   73.030   8.6949   72.882   12.139   73.185   12.460  143.927   12.304  144.168   12.615 -0.2409821 17.62164 
1 1 1    8   64    3 o  118.301   10.945   49.217   8.8599   42.780   13.498   54.090   11.744  108.529   18.641  123.475   13.989 -14.94522 23.30639 
1 1 1    8   64    4 o   58.216   19.084   11.600   8.8750   9.9148   10.324   16.371   17.372   57.042   20.512   72.941   26.552 -15.89923 33.55251 
1 1 1    8   64    5 o   79.356   15.223   22.872   8.0568   19.529   11.177   26.488   11.624   73.056   20.992   84.611   20.140 -11.55450 29.09149 
1 1 1    8   64    6 o   76.067   15.798   21.139   8.0451   22.609   11.398   19.680   11.357   78.135   20.734   73.270   21.191 4.865074 29.64765 
1 1 1    8   64    7 f  140.417   10.491   69.248   10.122   76.829   19.501   66.453   11.842  145.343   19.909  137.083   12.623 8.259369 23.57337 
1 1 1    8   64    8 o  121.285   9.5553   51.660   7.9560   54.162   11.206   49.117   11.298  123.375   13.335  117.198   14.219 6.177689 19.49412 
1 1 1    8   64    9 o  137.461   11.636   66.811   10.966   73.610   13.274   52.195   19.464  143.823   13.493  117.013   24.803 26.80970 28.23594 
1 1 1    8   66    0 o  232.014   7.5804  187.046   12.173  190.133   14.509  179.707   22.370  233.731   8.9689  225.787   14.390 7.943756 16.95603 
1 1 1    8   66    1 o  227.610   6.5401  179.828   10.303  190.960   14.498  168.473   14.643  234.237   8.9429  219.915   9.6208 14.32224 13.13528 
1 1 1    8   66    2 o   66.980   21.889   15.602   11.678   0.0000   0.0000   15.602   11.678  ?   ?    66.980   21.889 0.000000 21.88872 
1 1 1    8   66    3 o  158.536   8.1605   87.644   8.9237   95.724   12.359   78.842   12.899  165.231   10.868  149.536   12.580 15.69510 16.62408 
1 1 1    8   66    4 o   81.568   14.710   24.103   7.9992   23.678   11.210   24.545   11.418   79.909   20.245   81.334   20.337 -1.425240 28.69605 
1 1 1    8   66    5 o  189.004   7.2365  124.170   9.4662  157.977   13.924   95.114   12.908  212.855   9.4514  164.498   11.408 48.35654 14.81480 
1 1 1    8   66    6 o  123.395   10.059   53.525   8.5159   45.429   11.933   61.928   12.157  112.273   15.793  132.018   13.495 -19.74538 20.77302 
1 1 1    8   66    7 o  179.907   7.3436  112.622   9.1440  144.125   12.900   80.812   12.963  203.209   9.1724  151.122   12.506 52.08672 15.50917 
1 1 1    8   68    0 o  207.551   7.2934  149.732   10.477  161.554   14.422  136.521   15.245  215.227   9.6816  197.283   11.212 17.94408 14.81329 
1 1 1    8   68    1 o  149.270   8.7929   77.872   9.0440   94.571   12.878   61.621   12.704  164.033   11.414  131.614   14.170 32.41881 18.19540 
1 1 1    8   68    2 o  138.437   9.2935   67.108   8.8528   75.967   12.409   57.925   12.633  146.708   12.336  127.433   14.586 19.27462 19.10332 
1 1 1    8   68    3 o  109.018   13.891   42.474   10.243   48.166   18.551   39.977   12.285  113.047   24.423  104.740   17.569 8.306694 30.08582 
1 1 1    8   68    4 o   94.546   12.704   31.939   8.1025   25.834   11.715   37.538   11.219   83.178   20.484  101.648   16.514 -18.46956 26.31178 
1 1 1    8   68    5 o   60.302   21.599   11.540   11.436   11.540   11.436   0.0000   0.0000   60.302   21.599  ?   ?  0.000000 21.59857 
1 1 1    8   70    0 o   41.830   17.423   1.6494   8.3609   9.7158   11.536  -7.2759   12.135   57.890   21.540   41.499   18.956 16.39141 28.69301 
1 1 1    8   70    1 o  180.112   7.7854  112.950   9.7051  111.608   13.543  114.365   13.914  178.164   11.038  180.317   11.205 -2.152359 15.72817 
1 1 1    8   70    2 o   53.090   18.664   9.0623   8.5019   19.506   11.787  -2.2648   12.275   72.710   21.741   45.802   20.114 26.90795 29.61824 
1 1 1    9    1    0 o  421.740   4.3018  615.531   12.557  583.029   17.258  652.091   18.304  410.447   6.0752  434.076   6.0924 -23.62912 8.603806 
1 1 1    9    1    1 o  897.135   6.6394  2785.47   41.225  2870.78   59.977  2709.06   56.759  910.732   9.5151  884.712   9.2695 26.01996 13.28385 
1 1 1    9    1    2 o  2189.51   14.667 16596.79  222.266 16431.35  310.823 16769.92  317.961  2178.13   20.618  2200.43   20.878 -22.30273 29.34288 
1 1 1    9    1    3 o  1556.52   10.639  8386.12  114.617  8346.22  161.291  8426.83  162.908  1552.62   15.010  1560.09   15.087 -7.475220 21.28184 
1 1 1    9    1    4 o  1080.81   7.7279  4043.10   57.808  4031.44   81.552  4054.88   81.955  1079.16   10.919  1082.30   10.941 -3.131958 15.45701 
1 1 1    9    1    5 o  998.696   8.3776  3452.50   57.907  3412.68   99.103  3473.15   71.356  992.648   14.425  1001.61   10.293 -8.957458 17.72090 
1 1 1    9    1    6 o  679.467   7.8081  1598.33   36.719  1598.33   36.719   0.0000   0.0000  679.467   7.8081  ?   ?  0.000000 7.808064 
1 1 1    9    1    7 o  378.687   4.4425  496.347   11.644  492.892   16.327  499.924   16.610  377.333   6.2517  380.014   6.3153 -2.680817 8.886314 
1 1 1    9    1    8 o  898.968   6.7398  2797.54   41.934  2797.68   59.344  2797.39   59.264  898.846   9.5392  898.800   9.5269 0.4589844E-01 13.48176 
1 1 1    9    1    9 o  741.929   5.9140  1905.27   30.368  1889.59   42.631  1921.41   43.271  738.802   8.3373  744.994   8.3920 -6.191467 11.82944 
1 1 1    9    1   10 o  732.606   6.8497  1857.72   34.731  1841.04   42.213  1892.68   61.104  729.270   8.3635  739.306   11.942 -10.03583 14.57916 
1 1 1    9    1   11 o  510.532   5.0706  902.080   17.917  898.440   25.354  905.711   25.322  509.469   7.1904  511.528   7.1523 -2.058228 10.14192 
1 1 1    9    1   12 o  604.309   5.4446  1263.99   22.772  1259.59   32.147  1268.42   32.263  603.203   7.7001  605.312   7.7009 -2.109558 10.89015 
1 1 1    9    1   13 o  1146.52   9.5596  4552.34   75.858  4466.83  128.841  4597.72   93.848  1134.88   16.403  1152.00   11.771 -17.11804 20.18932 
1 1 1    9    1   14 o  219.209   6.3301  166.363   9.6039  169.550   13.690  163.275   13.477  221.250   8.9400  217.117   8.9682 4.132874 12.66307 
1 1 1    9    1   15 o  407.040   5.1825  573.614   14.600  569.450   20.635  577.789   20.661  405.466   7.3530  408.426   7.3090 -2.959930 10.36761 
1 1 1    9    1   16 o  206.018   6.6480  147.052   9.4793  149.798   13.380  144.285   13.431  207.816   9.3027  203.945   9.5155 3.870956 13.30727 
1 1 1    9    1   17 o  472.028   5.2828  771.868   17.259  780.684   24.608  763.334   24.212  474.462   7.4938  469.165   7.4564 5.296661 10.57143 
1 1 1    9    1   18 o  146.584   8.5893   74.893   8.6760   69.453   12.342   80.208   12.198  140.500   12.834  151.257   11.744 -10.75699 17.39657 
1 1 1    9    1   19 o  220.213   7.4067  168.452   11.289  154.244   19.816  175.278   13.735  209.324   13.754  224.451   8.8419 -15.12703 16.35111 
1 1 1    9    1   20 o  103.641   13.897   38.457   9.7173   39.152   11.735   36.941   17.334  103.791   16.918   98.659   25.273 5.132805 30.41313 
1 1 1    9    1   21 o   53.319   17.847   9.7313   7.7490   3.2192   11.228   15.653   10.707   49.129   20.304   65.791   20.911 -16.66272 29.14663 
1 1 1    9    3    0 o  1244.99   8.7122  5364.61   75.070  5260.29  104.010  5478.05  108.461  1232.74   12.191  1257.99   12.457 -25.24890 17.42960 
1 1 1    9    3    1 o  1431.99   9.8637  7097.46   97.759  7053.19  137.310  7142.98  139.214  1427.38   13.899  1436.44   14.003 -9.053589 19.72981 
1 1 1    9    3    2 o  1074.61   7.6822  3996.70   57.137  3981.18   80.490  4012.46   81.121  1072.46   10.844  1076.67   10.886 -4.204590 15.36546 
1 1 1    9    3    3 o  374.693   4.1951  485.865   10.879  471.559   15.216  500.828   15.561  369.128   5.9557  380.411   5.9102 -11.28336 8.390516 
1 1 1    9    3    4 f  1286.96   10.361  5733.30   92.286  5736.58  159.845  5731.66  113.027  1286.95   17.946  1286.68   12.692 0.2686768 21.98042 
1 1 1    9    3    5 o  639.758   5.2998  1416.54   23.467  1398.30   32.886  1435.47   33.496  635.588   7.4759  643.981   7.5153 -8.393250 10.60041 
1 1 1    9    3    6 o  181.276   5.0047  113.738   6.2790  117.201   8.7978  110.142   8.9643  184.000   6.9085  178.370   7.2614 5.629761 10.02269 
1 1 1    9    3    7 o  656.287   6.2903  1491.05   28.572  1490.24   34.928  1492.68   49.675  656.050   7.6924  656.406   10.934 -0.3558960 13.36902 
1 1 1    9    3    8 o  370.749   4.4840  475.739   11.506  479.571   16.320  471.952   16.224  372.213   6.3352  369.245   6.3484 2.968658 8.968683 
1 1 1    9    3    9 o  1357.52   10.929  6381.42  102.682  6422.61  126.659  6302.44  175.386  1361.66   13.440  1348.23   18.795 13.42932 23.10613 
1 1 1    9    3   10 f  463.428   4.8652  743.289   15.605  763.683   22.468  724.285   21.690  469.717   6.9113  457.441   6.8508 12.27582 9.731377 
1 1 1    9    3   11 o  1730.50   13.651 10372.21  163.497 10551.22  288.702 10287.70  198.374  1743.78   23.921  1723.06   16.634 20.71094 29.13632 
1 1 1    9    3   12 o  1051.30   8.8852  3826.56   64.650  3937.56  114.838  3775.05   78.224  1065.90   15.567  1044.07   10.825 21.82654 18.96049 
1 1 1    9    3   13 o  869.456   6.7459  2617.01   40.594  2595.65   57.055  2638.90   57.770  865.742   9.5219  872.921   9.5621 -7.179810 13.49446 
1 1 1    9    3   14 o  314.078   5.4522  341.481   11.852  332.030   16.720  351.026   16.802  309.647   7.8018  318.387   7.6248 -8.739410 10.90898 
1 1 1    9    3   15 o  248.974   5.9142  214.643   10.191  204.432   14.179  225.557   14.658  242.904   8.4338  255.151   8.3006 -12.24673 11.83337 
1 1 1    9    3   16 f  270.990   6.4827  254.416   12.159  268.122   15.144  229.561   20.394  278.119   7.8676  257.103   11.461 21.01538 13.90148 
1 1 1    9    3   17 o  178.954   7.1409  111.039   8.8444  108.113   12.563  113.913   12.454  176.091   10.353  180.814   9.9905 -4.723236 14.38751 
1 1 1    9    3   18 o  376.517   6.0579  491.525   15.787  514.146   27.984  480.965   19.119  384.346   10.520  372.273   7.4205 12.07312 12.87355 
1 1 1    9    3   19 o   38.667   16.313   0.6327   7.4745   11.376   10.683  -9.6697   10.462   59.660   20.924   36.268   16.926 23.39237 26.91313 
1 1 1    9    3   20 o   69.865   16.604   17.987   7.9106   26.774   11.503   10.102   10.897   84.815   19.932   57.754   21.029 27.06057 28.97409 
1 1 1    9    3   21 o   71.771   16.314   19.086   7.9200   12.946   11.230   25.163   11.171   61.907   21.468   81.788   19.920 -19.88134 29.28589 
1 1 1    9    5    0 o  1274.30   8.8976  5620.28   78.473  5595.11  110.498  5645.89  111.464  1271.35   12.558  1277.11   12.610 -5.755127 17.79659 
1 1 1    9    5    1 o  263.421   4.0926  240.138   7.4616  227.204   10.423  253.734   10.686  256.224   5.8776  270.771   5.7023 -14.54733 8.189147 
1 1 1    9    5    2 f  157.289   4.7885   85.618   5.2129   76.510   7.3742   94.716   7.3701  148.684   7.1660  165.432   6.4369 -16.74828 9.632462 
1 1 1    9    5    3 o  497.710   5.3030  857.292   18.267  902.439   32.463  836.373   22.098  510.614   9.1859  491.593   6.4948 19.02182 11.25004 
1 1 1    9    5    4 o  760.275   5.8975  2000.47   31.032  1981.22   43.542  2020.34   44.239  756.570   8.3153  764.002   8.3664 -7.431458 11.79580 
1 1 1    9    5    5 o  796.925   7.0700  2198.26   38.996  2222.46   48.159  2152.20   66.454  801.252   8.6842  788.356   12.179 12.89624 14.95830 
1 1 1    9    5    6 o  391.328   4.4007  530.020   11.919  529.671   16.828  530.372   16.884  391.170   6.2158  391.429   6.2322 -0.2585754 8.802133 
1 1 1    9    5    7 o  657.141   7.6995  1495.19   35.019  1495.19   35.019   0.0000   0.0000  657.141   7.6995  ?   ?  0.000000 7.699549 
1 1 1    9    5    8 o  531.295   5.6526  977.042   20.786  994.789   25.824  944.390   35.027  536.069   6.9603  522.232   9.6909 13.83691 11.93141 
1 1 1    9    5    9 o  970.133   7.1602  3257.82   48.077  3290.85   68.621  3225.99   67.377  974.902   10.170  965.251   10.085 9.651123 14.32285 
1 1 1    9    5   10 o  959.794   7.1309  3188.62   47.370  3212.64   67.479  3165.29   66.513  963.290   10.121  956.167   10.051 7.122986 14.26387 
1 1 1    9    5   11 o  219.683   5.6967  167.035   8.6616  166.858   12.622  167.193   11.908  219.547   8.3065  219.772   7.8287 -0.2248535 11.41429 
1 1 1    9    5   12 o  541.866   6.0481  1016.32   22.682  1043.90   40.712  1003.90   27.314  549.036   10.714  538.517   7.3284 10.51892 12.98050 
1 1 1    9    5   13 o  848.289   6.6301  2491.12   38.926  2520.65   55.652  2462.82   54.467  853.144   9.4250  843.307   9.3319 9.836853 13.26327 
1 1 1    9    5   14 o  392.489   5.1953  533.257   14.113  539.192   20.157  527.549   19.766  394.606   7.3805  390.324   7.3167 4.281494 10.39259 
1 1 1    9    5   15 o  519.108   7.4654  933.445   26.822  933.445   26.822   0.0000   0.0000  519.108   7.4654  ?   ?  0.000000 7.465430 
1 1 1    9    5   16 o  121.110   9.6702   51.211   8.0382   50.456   11.275   51.991   11.463  119.644   13.873  121.473   13.884 -1.829025 19.62727 
1 1 1    9    5   17 o   85.417   13.734   26.060   7.8441   20.932   11.303   30.824   10.895   75.944   20.863   92.321   17.695 -16.37656 27.35629 
1 1 1    9    5   18 o  227.335   6.9684  179.303   10.964  180.683   19.451  178.660   13.274  227.248   12.414  226.790   8.4567 0.4582520 15.02057 
1 1 1    9    5   19 o  142.640   9.6474   71.187   9.4682   41.727   16.902   84.660   11.430  105.800   23.673  155.429   10.690 -49.62893 25.97503 
1 1 1    9    5   20 f   91.585   13.124   30.055   8.0813   20.582   11.768   38.508   11.117   74.626   21.569  103.124   16.102 -28.49878 26.91613 
1 1 1    9    5   21 o  108.584   11.446   41.886   8.4721   40.969   11.733   42.885   12.246  105.925   16.545  108.312   16.887 -2.387154 23.64111 
1 1 1    9    7    0 o  1180.02   8.3317  4819.28   68.046  4662.23   93.012  5000.11   99.809  1160.56   11.580  1201.86   11.999 -41.30701 16.67511 
1 1 1    9    7    1 o  1458.78   11.589  7366.17  117.006  7282.93  200.186  7409.37  144.201  1450.13   19.946  1462.95   14.242 -12.81860 24.50836 
1 1 1    9    7    2 o  1147.46   9.3768  4557.25   74.468  4447.32  125.741  4616.63   92.418  1133.33   16.030  1154.85   11.563 -21.52515 19.76524 
1 1 1    9    7    3 o  1061.73   7.6128  3901.52   55.941  3843.41   77.957  3963.21   80.321  1053.72   10.689  1070.01   10.846 -16.29114 15.22820 
1 1 1    9    7    4 o  289.136   4.1609  289.318   8.3266  301.281   11.879  277.763   11.675  295.045   5.8172  283.295   5.9544 11.75055 8.324322 
1 1 1    9    7    5 o  1019.62   7.3812  3598.68   52.088  3568.11   73.042  3630.30   74.302  1015.14   10.396  1023.95   10.484 -8.803467 14.76488 
1 1 1    9    7    6 o  611.120   5.1893  1292.69   21.949  1282.75   30.811  1302.94   31.275  608.700   7.3134  613.470   7.3660 -4.770142 10.37996 
1 1 1    9    7    7 o  297.883   4.4361  307.124   9.1458  308.955   12.805  305.218   13.067  298.745   6.1931  296.930   6.3584 1.814972 8.875963 
1 1 1    9    7    8 o  1134.39   9.3705  4455.77   73.570  4470.21   90.329  4427.32  126.800  1136.06   11.488  1130.11   16.211 5.948853 19.86921 
1 1 1    9    7    9 o  1024.96   7.4762  3636.52   53.035  3643.19   75.210  3629.94   74.798  1025.75   10.594  1023.89   10.555 1.864746 14.95459 
1 1 1    9    7   10 f  1009.87   7.4168  3530.11   51.840  3579.37   74.351  3483.50   72.316  1016.77   10.565  1003.07   10.417 13.70209 14.83695 
1 1 1    9    7   11 o  1588.61   10.930  8738.51  120.178  8890.28  173.190  8597.56  166.900  1601.87   15.621  1575.31   15.308 26.55505 21.87137 
1 1 1    9    7   12 o  1383.53   9.6783  6628.05   92.675  6733.62  133.302  6529.29  128.932  1394.07   13.816  1372.79   13.570 21.28564 19.36544 
1 1 1    9    7   13 o  668.485   6.6896  1547.02   30.951  1580.98   55.318  1531.55   37.343  675.507   11.832  665.074   8.1126 10.43365 14.34604 
1 1 1    9    7   14 o  254.490   5.8152  224.213   10.243  221.746   14.759  226.505   14.226  253.031   8.4277  255.742   8.0374 -2.710403 11.64583 
1 1 1    9    7   15 o  622.767   5.6471  1342.92   24.341  1344.30   34.585  1341.58   34.263  622.901   8.0222  622.277   7.9553 0.6246338 11.29796 
1 1 1    9    7   16 o  502.081   6.1287  873.279   21.297  908.240   26.482  809.268   35.833  511.900   7.4746  482.804   10.723 29.09625 13.07136 
1 1 1    9    7   17 o  140.642   9.4887   69.003   9.1823   84.244   15.861   61.320   11.261  154.630   15.009  132.134   12.461 22.49579 19.50789 
1 1 1    9    7   18 o   80.516   14.130   23.320   7.5867   16.468   10.836   29.908   10.626   68.114   20.947   90.741   17.553 -22.62784 27.32976 
1 1 1    9    7   19 o  120.928   9.5003   51.239   7.8874   52.329   11.494   50.269   10.843  121.371   13.935  119.046   13.393 2.325508 19.32801 
1 1 1    9    7   20 o  105.581   11.557   39.504   8.3073   39.146   11.765   39.859   11.732  103.733   16.974  104.759   16.745 -1.026764 23.84314 
1 1 1    9    7   21 o  129.388   9.4956   58.882   8.4440   51.511   11.919   66.308   11.964  119.595   14.710  136.484   12.816 -16.88834 19.50951 
1 1 1    9    9    0 o  911.687   7.8044  2876.70   49.245  2688.29   80.138  2991.00   62.421  881.224   13.139  929.592   9.7020 -48.36743 16.33322 
1 1 1    9    9    1 o  836.994   7.3001  2424.61   42.289  2334.15   70.724  2474.95   52.760  821.142   12.444  845.614   9.0148 -24.47144 15.36642 
1 1 1    9    9    2 o  473.622   4.5379  776.302   14.875  778.975   21.104  773.664   20.970  474.425   6.4272  472.805   6.4084 1.619995 9.076107 
1 1 1    9    9    3 f  1426.77   11.377  7047.08  112.344  6800.00  187.553  7185.34  140.299  1401.07   19.341  1440.57   14.072 -39.49536 23.91858 
1 1 1    9    9    4 o  906.476   6.7248  2844.02   42.190  2782.61   58.452  2910.81   60.959  896.565   9.4198  916.978   9.6051 -20.41321 13.45328 
1 1 1    9    9    5 o  567.632   4.9664  1115.18   19.511  1128.63   27.826  1102.17   27.366  571.003   7.0410  564.270   7.0072 6.732788 9.933575 
1 1 1    9    9    6 o  1165.55   8.2672  4703.99   66.690  4647.04   93.110  4763.99   95.567  1158.14   11.616  1172.60   11.776 -14.46301 16.54077 
1 1 1    9    9    7 o  912.121   6.8091  2880.18   42.985  2808.91   59.323  2958.97   62.372  900.598   9.5174  924.325   9.7496 -23.72662 13.62481 
1 1 1    9    9    8 o  1346.01   9.3963  6273.08   87.535  6375.68  125.801  6176.77  121.878  1356.59   13.399  1335.28   13.188 21.30640 18.80001 
1 1 1    9    9    9 o  393.392   5.4314  535.627   14.788  551.895   18.337  505.366   25.010  399.307   6.6351  382.061   9.4580 17.24615 11.55331 
1 1 1    9    9   10 o  831.398   7.3859  2392.60   42.500  2488.29   75.664  2348.49   51.369  847.650   12.897  823.650   9.0111 23.99982 15.73334 
1 1 1    9    9   11 o  621.916   5.4550  1338.68   23.480  1369.26   33.957  1310.65   32.503  628.931   7.8009  615.329   7.6321 13.60284 10.91342 
1 1 1    9    9   12 o  549.075   5.2548  1043.49   19.969  1065.27   28.832  1023.42   27.685  554.721   7.5096  543.720   7.3570 11.00171 10.51280 
1 1 1    9    9   13 o  387.121   5.1172  518.729   13.710  536.680   20.071  503.023   18.773  393.714   7.3655  381.174   7.1161 12.53955 10.24155 
1 1 1    9    9   14 o  794.257   7.3420  2184.51   40.360  2206.44   50.190  2144.39   67.895  798.094   9.0863  786.444   12.474 11.65039 15.43223 
1 1 1    9    9   15 o  692.635   5.9183  1661.30   28.371  1703.40   41.082  1622.91   39.228  701.113   8.4663  684.367   8.2820 16.74634 11.84352 
1 1 1    9    9   16 o  216.085   6.3997  161.776   9.5711  175.935   14.320  150.345   12.868  225.200   9.1875  208.193   8.9300 17.00703 12.81228 
1 1 1    9    9   17 o  204.887   6.3726  145.510   9.0367  143.691   12.932  147.247   12.633  203.422   9.1852  205.948   8.8628 -2.526123 12.76386 
1 1 1    9    9   18 o   78.284   14.692   22.137   7.6678   29.979   11.125   15.042   10.583   90.678   18.357   65.582   20.783 25.09561 27.72943 
1 1 1    9    9   19 o  116.718   9.7218   47.789   7.7821   45.956   11.126   49.544   10.889  113.499   14.494  118.122   13.565 -4.622353 19.85202 
1 1 1    9    9   20 o  135.997   10.210   64.990   9.5400   66.618   12.165   62.390   15.375  137.070   12.978  131.374   17.332 5.695618 21.65252 
1 1 1    9    9   21 o  127.261   9.8446   57.055   8.6036   63.204   12.527   51.565   11.836  132.890   13.823  119.663   14.594 13.22766 20.10121 
1 1 1    9   11    0 o  1630.00   22.281  9204.88  251.362  9204.88  251.362   0.0000   0.0000  1630.00   22.281  ?   ?  0.000000 22.28099 
1 1 1    9   11    1 o  1294.96   9.0333  5804.23   80.962  5798.48  114.404  5810.00  114.590  1294.19   12.772  1295.48   12.780 -1.283936 18.06833 
1 1 1    9   11    2 o  918.175   6.7907  2917.76   43.154  2902.29   60.754  2933.52   61.307  915.682   9.5864  920.595   9.6220 -4.912903 13.58240 
1 1 1    9   11    3 o  718.678   5.7079  1787.56   28.391  1746.19   39.476  1831.89   40.863  710.278   8.0302  727.496   8.1157 -17.21838 11.41701 
1 1 1    9   11    4 f  243.567   4.2897  205.314   7.2314  200.837   10.160  209.912   10.295  240.886   6.0941  246.269   6.0398 -5.382629 8.580080 
1 1 1    9   11    5 o  1062.88   7.6476  3911.03   56.258  3869.05   78.742  3954.81   80.407  1056.94   10.764  1068.58   10.872 -11.64172 15.29916 
1 1 1    9   11    6 o  1304.09   10.517  5891.10   94.922  5875.79  116.121  5921.95  164.794  1302.07   12.885  1306.19   18.229 -4.122925 22.32323 
1 1 1    9   11    7 o  1167.70   8.2977  4721.05   67.060  4754.47   95.551  4688.61   94.139  1171.51   11.785  1163.38   11.691 8.132813 16.60022 
1 1 1    9   11    8 o  792.383   6.1609  2173.27   33.788  2199.74   48.295  2147.89   47.287  797.105   8.7541  787.657   8.6741 9.448059 12.32372 
1 1 1    9   11    9 o  788.321   7.0824  2151.09   38.642  2230.73   68.343  2113.66   46.850  802.589   12.303  781.387   8.6629 21.20203 15.04723 
1 1 1    9   11   10 o  782.880   7.1676  2121.47   38.837  2149.98   47.981  2067.32   66.135  788.076   8.7968  772.648   12.367 15.42834 15.17676 
1 1 1    9   11   11 f  1188.50   8.4870  4889.98   69.812  5058.05  102.158  4742.72   95.623  1208.51   12.214  1170.26   11.806 38.24670 16.98693 
1 1 1    9   11   12 o  791.053   6.2946  2166.10   34.463  2240.28   50.311  2100.51   47.304  804.369   9.0371  778.884   8.7751 25.48462 12.59646 
1 1 1    9   11   13 o  445.851   5.8307  688.116   17.992  711.133   22.870  650.732   29.147  453.207   7.2910  433.451   9.7156 19.75552 12.14708 
1 1 1    9   11   14 o   64.352   17.122   14.889   7.7594   18.101   11.993   12.576   10.176   72.041   22.018   61.726   20.446 10.31507 30.04662 
1 1 1    9   11   15 o  314.148   5.3363  341.717   11.602  344.249   16.958  339.488   15.909  315.208   7.7733  313.042   7.3427 2.166473 10.69296 
1 1 1    9   11   16 o  251.318   6.9718  218.894   12.127  229.615   14.917  198.000   20.824  257.315   8.3761  238.288   12.672 19.02800 15.19031 
1 1 1    9   11   17 o  440.656   5.1770  672.721   15.789  677.386   22.460  668.164   22.200  441.930   7.3433  438.916   7.3078 3.013580 10.35988 
1 1 1    9   11   18 o  122.890   13.876   53.476   11.595   53.476   11.595   0.0000   0.0000  122.890   13.876  ?   ?  0.000000 13.87622 
1 1 1    9   11   19 o  243.294   6.6854  205.521   11.257  220.774   14.318  180.829   18.217  251.949   8.2111  227.161   11.626 24.78697 14.23332 
1 1 1    9   11   20 o  152.513   8.1332   81.237   8.5541   81.767   12.367   80.751   11.845  152.242   11.829  151.393   11.388 0.8489227 16.41999 
1 1 1    9   11   21 o   71.350   18.541   19.070   9.2396   32.449   16.767   13.236   11.072   91.542   25.511   62.083   21.329 29.45955 33.25247 
1 1 1    9   13    0 f  600.074   7.2727  1246.29   30.205  1246.29   30.205   0.0000   0.0000  600.074   7.2727  ?   ?  0.000000 7.272654 
1 1 1    9   13    1 o  2018.62   13.591 14108.40  189.889 13717.71  260.253 14553.15  277.679  1990.01   18.896  2049.64   19.574 -59.62952 27.20674 
1 1 1    9   13    2 o  934.206   7.9749  3020.77   51.563  3071.22   90.888  2996.82   62.616  941.784   13.944  930.451   9.7233 11.33282 16.99914 
1 1 1    9   13    3 o  259.056   6.1181  232.273   10.969  232.273   10.969   0.0000   0.0000  259.056   6.1181  ?   ?  0.000000 6.118057 
1 1 1    9   13    4 o  652.160   5.3739  1472.06   24.256  1463.08   34.127  1481.23   34.482  650.114   7.5845  654.133   7.6164 -4.018555 10.74869 
1 1 1    9   13    5 o  972.518   10.070  3275.68   67.782  3298.05   97.356  3254.63   94.427  975.411   14.421  969.008   14.080 6.402893 20.15451 
1 1 1    9   13    6 o  445.399   5.3490  686.681   16.489  669.268   28.981  695.016   20.051  439.594   9.5254  448.068   6.4656 -8.473236 11.51251 
1 1 1    9   13    7 o  1300.64   9.1024  5857.47   81.938  5919.48  117.160  5798.10  114.638  1307.12   12.950  1293.67   12.803 13.45349 18.21111 
1 1 1    9   13    8 o  575.404   7.1952  1146.08   28.654   0.0000   0.0000  1146.08   28.654  ?   ?   575.404   7.1952 0.000000 7.195152 
1 1 1    9   13    9 o  745.997   8.3931  1926.47   43.335   0.0000   0.0000  1926.47   43.335  ?   ?   745.997   8.3931 0.000000 8.393134 
1 1 1    9   13   10 o  904.862   7.8504  2834.22   49.165  2881.95   85.667  2810.77   60.036  912.197   13.569  901.049   9.6269 11.14850 16.63713 
1 1 1    9   13   11 o  755.890   7.0661  1977.81   36.967  2000.31   45.506  1934.15   63.392  760.125   8.6498  747.294   12.256 12.83142 15.00135 
1 1 1    9   13   12 o   98.448   10.858   33.976   7.2753   19.276   10.776   46.290   9.8624   73.470   20.444  114.902   12.609 -41.43230 24.01925 
1 1 1    9   13   13 o  307.942   5.2710  328.246   11.234  346.099   16.579  313.089   15.276  316.160   7.5765  300.710   7.3398 15.44992 10.54875 
1 1 1    9   13   14 o  492.905   5.2115  841.076   17.779  851.219   25.729  831.808   24.596  495.770   7.4984  490.097   7.2510 5.672974 10.43086 
1 1 1    9   13   15 o  552.847   7.5364  1058.99   28.837   0.0000   0.0000  1058.99   28.837  ?   ?   552.847   7.5364 0.000000 7.536369 
1 1 1    9   13   16 o  268.744   5.5233  250.176   10.273  243.333   14.837  256.478   14.239  264.897   8.0927  271.993   7.5639 -7.096619 11.07721 
1 1 1    9   13   17 o  444.317   5.1442  683.965   15.819  678.524   22.337  689.439   22.406  442.288   7.2971  445.836   7.2613 -3.548340 10.29439 
1 1 1    9   13   18 o  142.826   9.9493   71.339   9.7737   85.019   11.696   39.678   17.793  155.828   10.914  103.210   25.141 52.61757 27.40802 
1 1 1    9   13   19 o   51.011   17.710   8.3559   7.6434   24.122   10.994  -6.3936   10.634   80.721   19.823   39.078   17.809 41.64328 26.64804 
1 1 1    9   13   20 o  141.729   8.5106   70.262   8.3096   85.572   12.010   56.203   11.509  155.888   11.207  125.635   13.444 30.25290 17.50251 
1 1 1    9   13   21 f   74.462   17.406   20.713   8.8098   18.634   15.942   21.627   10.570   72.954   25.562   75.700   19.909 -2.746216 32.40058 
1 1 1    9   15    0 o  447.806   5.2860  694.009   16.383  666.481   19.659  756.585   29.640  438.824   6.4728  467.516   9.1601 -28.69159 11.21631 
1 1 1    9   15    2 o  939.284   8.0230  3053.88   52.157  3007.78   62.873  3155.61   93.401  932.112   9.7458  954.544   14.138 -22.43243 17.17130 
1 1 1    9   15    4 o  901.583   7.7471  2814.14   48.342  2731.04   57.725  3009.27   88.456  888.083   9.3915  931.889   13.715 -43.80652 16.62205 
1 1 1    9   15    5 o  758.517   6.8943  1991.87   36.194  1886.83   60.506  2050.41   45.166  737.939   11.847  769.497   8.4805 -31.55786 14.56932 
1 1 1    9   15    6 o  218.695   5.6006  165.553   8.4772  152.195   15.683  171.066   10.076  209.332   10.862  222.297   6.5490 -12.96423 12.68375 
1 1 1    9   15    7 o  230.069   5.6617  183.210   9.0153  172.537   17.123  187.303   10.604  223.203   11.084  232.616   6.5865 -9.413315 12.89357 
1 1 1    9   15    8 o  799.078   6.2025  2210.09   34.303  2231.55   49.076  2189.59   47.968  802.867   8.8317  795.287   8.7146 7.579773 12.40741 
1 1 1    9   15    9 o  1169.19   11.787  4733.53   95.379   0.0000   0.0000  4733.53   95.379  ?   ?   1169.19   11.787 0.000000 11.78664 
1 1 1    9   15   10 o  117.950   8.1865   48.391   6.6417   49.312   9.7676   47.600   9.0579  118.721   12.055  116.694   11.359 2.026550 16.56324 
1 1 1    9   15   11 o  735.083   5.9700  1870.30   30.373  1935.80   44.290  1812.15   41.732  747.762   8.5578  723.493   8.3341 24.26868 11.94545 
1 1 1    9   15   12 o  216.678   7.1678  162.535   10.749  161.963   12.801  163.902   19.794  216.278   8.5520  217.081   13.238 -0.8032227 15.75971 
1 1 1    9   15   13 o  698.079   5.8781  1686.98   28.400  1702.86   40.753  1671.99   39.599  701.229   8.3969  694.853   8.2341 6.375732 11.76047 
1 1 1    9   15   14 o  222.714   6.1207  171.745   9.4346  162.175   14.158  179.389   12.653  216.337   9.4559  227.571   8.0336 -11.23361 12.40775 
1 1 1    9   15   15 o  379.935   6.0731  499.962   15.970  514.490   19.572  471.024   27.622  385.340   7.3388  368.432   10.832 16.90753 13.08428 
1 1 1    9   15   16 o  599.824   6.4770  1246.82   26.889  1245.85   48.228  1247.25   32.390  598.659   11.640  599.739   7.8032 -1.080078 14.01338 
1 1 1    9   15   17 o  424.209   5.1371  623.490   15.083  616.701   21.322  630.290   21.338  421.634   7.3067  426.265   7.2325 -4.630585 10.28094 
1 1 1    9   15   18 o  292.485   6.1287  296.717   12.407  288.449   15.463  311.659   20.786  288.185   7.7525  299.188   10.038 -11.00314 12.68335 
1 1 1    9   15   19 o  196.804   8.0627  134.727   10.982  122.648   12.962  165.463   20.676  187.248   10.038  216.591   13.866 -29.34346 17.11792 
1 1 1    9   15   20 o   43.003   17.721   2.3184   8.5202   7.3317   14.188  -0.5094   10.656   58.492   23.311   44.225   19.087 14.26725 30.12798 
1 1 1    9   15   21 o  100.318   11.841   35.964   8.0631   41.815   11.888   30.980   10.973  106.777   16.627   91.159   18.030 15.61864 24.52672 
1 1 1    9   17    0 o  577.449   5.0997  1154.05   20.382  1136.58   40.151  1160.11   23.656  572.966   10.125  578.952   5.9037 -5.986511 11.72036 
1 1 1    9   17    1 o  1062.80   7.6884  3909.91   56.554  3756.10   76.895  4091.12   83.467  1041.55   10.667  1086.98   11.095 -45.43359 15.39078 
1 1 1    9   17    2 o  887.640   9.4279  2727.94   57.920   0.0000   0.0000  2727.94   57.920  ?   ?   887.640   9.4279 0.000000 9.427861 
1 1 1    9   17    3 f  1057.09   8.7993  3869.08   64.378  3790.48   77.380  4045.85  116.037  1046.17   10.687  1080.36   15.519 -34.19141 18.84233 
1 1 1    9   17    4 o  505.874   4.7926  885.761   16.780  869.075   23.434  903.316   24.038  501.038   6.7578  510.811   6.7991 -9.773682 9.586243 
1 1 1    9   17    5 o  733.449   6.7547  1862.34   34.289  1809.27   58.703  1889.83   42.245  722.630   11.737  738.768   8.2620 -16.13818 14.35359 
1 1 1    9   17    6 o  960.351   8.2100  3193.10   54.569  3108.29   93.024  3237.60   67.381  947.065   14.192  966.903   10.069 -19.83813 17.40077 
1 1 1    9   17    7 o  527.876   6.8782  964.558   25.129   0.0000   0.0000  964.558   25.129  ?   ?   527.876   6.8782 0.000000 6.878163 
1 1 1    9   17    8 o  1626.61   12.886  9163.48  145.073  9180.49  252.682  9155.12  177.186  1626.82   22.442  1625.56   15.749 1.261597 27.41648 
1 1 1    9   17    9 o  1436.06   9.9757  7139.71   99.150  7429.95  146.214  6892.63  134.905  1464.61   14.424  1410.71   13.817 53.89966 19.97416 
1 1 1    9   17   10 o  372.426   4.6472  480.036   11.979  476.191   17.008  483.820   16.874  370.912   6.6251  373.872   6.5210 -2.960571 9.296011 
1 1 1    9   17   11 o  1390.11   13.637  6695.11  131.203  6946.34  192.711  6478.05  179.130  1415.06   19.677  1366.65   18.938 48.40808 27.30976 
1 1 1    9   17   12 o  419.184   4.9404  608.195   14.333  640.767   21.203  580.785   19.451  430.216   7.1210  409.591   6.8613 20.62473 9.888700 
1 1 1    9   17   13 o  368.282   6.0553  469.550   15.434  473.103   18.604  461.707   27.643  369.640   7.2721  365.027   10.942 4.612305 13.13801 
1 1 1    9   17   14 o  309.067   6.1813  330.768   13.222  304.829   25.974  339.841   15.362  296.405   12.661  313.246   7.0856 -16.84113 14.50918 
1 1 1    9   17   15 o   82.019   13.800   24.024   7.5556   29.616   11.512   19.792   10.014   90.435   18.997   73.935   19.346 16.50019 27.11376 
1 1 1    9   17   16 o  346.588   5.1122  416.078   12.263  413.888   17.342  418.268   17.343  345.513   7.2518  347.339   7.2143 -1.826569 10.22918 
1 1 1    9   17   17 o  315.261   7.3477  344.832   16.032  365.415   25.249  330.927   20.753  323.971   11.260  308.541   9.7184 15.42957 14.87438 
1 1 1    9   17   18 o  344.188   5.2013  410.658   12.390  405.889   17.571  415.374   17.474  341.881   7.4260  345.872   7.2998 -3.991455 10.41307 
1 1 1    9   17   19 o  131.522   9.0854   60.550   8.2195   64.665   11.898   56.794   11.368  135.188   12.872  126.551   13.172 8.637268 18.41725 
1 1 1    9   17   20 o   72.213   18.167   19.389   9.0722   18.257   10.587   22.517   17.598   70.276   20.500   79.373   26.894 -9.096924 33.81642 
1 1 1    9   17   21 o  164.014   7.7650   93.906   8.8145   88.251   12.896   98.865   12.076  157.658   11.906  167.382   10.477 -9.724823 15.85926 
1 1 1    9   19    0 f  369.720   8.9198  473.268   22.825  473.268   22.825   0.0000   0.0000  369.720   8.9198  ?   ?  0.000000 8.919832 
1 1 1    9   19    1 o  585.775   7.3089  1187.85   29.632  1117.56   39.966  1273.66   44.160  568.087   10.165  606.451   10.521 -38.36340 14.62913 
1 1 1    9   19    2 o  369.736   6.4917  473.224   16.612   0.0000   0.0000  473.224   16.612  ?   ?   369.736   6.4917 0.000000 6.491740 
1 1 1    9   19    3 o  578.278   5.1315  1157.49   20.538  1112.80   28.234  1207.70   29.930  566.945   7.1955  590.619   7.3218 -23.67426 10.26567 
1 1 1    9   19    4 o  642.602   5.4066  1429.37   24.046  1384.09   33.239  1479.08   34.828  632.261   7.5959  653.594   7.6993 -21.33228 10.81558 
1 1 1    9   19    5 o  521.220   5.6697  940.366   20.453  947.805   36.434  936.943   24.715  523.138   10.063  520.240   6.8640 2.897522 12.18086 
1 1 1    9   19    6 o  1034.11   8.6423  3702.42   61.855  3655.12  105.460  3727.23   76.371  1027.03   14.837  1037.45   10.636 -10.42456 18.25514 
1 1 1    9   19    7 o  773.400   8.5406  2070.71   45.716   0.0000   0.0000  2070.71   45.716  ?   ?   773.400   8.5406 0.000000 8.540639 
1 1 1    9   19    8 o  1251.44   8.8259  5421.50   76.445  5465.40  109.196  5379.30  107.054  1256.27   12.559  1246.35   12.410 9.924194 17.65622 
1 1 1    9   19    9 o  1498.28   11.978  7773.39  124.208  7887.81  219.693  7719.64  150.585  1508.26   21.046  1492.86   14.574 15.39758 25.59941 
1 1 1    9   19   10 o  253.456   6.9402  222.363   12.175  238.878   21.608  214.683   14.736  262.635   11.887  249.024   8.5500 13.61101 14.64290 
1 1 1    9   19   11 o  944.858   8.1295  3090.84   53.163  3141.14   66.591  3002.44   88.281  952.398   10.102  930.862   13.703 21.53638 17.02405 
1 1 1    9   19   12 o  277.105   5.1723  265.789   9.9199  283.201   14.886  251.882   13.304  286.000   7.5205  269.729   7.1266 16.27060 10.36080 
1 1 1    9   19   13 o  610.788   6.2062  1291.60   26.236  1335.61   45.864  1270.19   31.986  620.828   10.674  605.635   7.6309 15.19318 13.12105 
1 1 1    9   19   14 o  388.854   6.0346  523.610   16.241  536.974   19.796  496.098   28.404  393.727   7.2647  378.222   10.851 15.50537 13.05796 
1 1 1    9   19   15 o  104.460   10.250   38.231   7.3149   31.081   10.943   44.006   9.8350   92.868   17.671  111.773   12.953 -18.90496 21.91011 
1 1 1    9   19   16 o  325.317   5.1072  366.597   11.499  383.801   16.660  350.944   15.891  332.699   7.2352  318.141   7.2172 14.55835 10.21938 
1 1 1    9   19   17 o  211.249   6.1408  154.725   8.9784  166.735   13.126  144.164   12.308  219.089   8.6561  203.714   8.7298 15.37463 12.29380 
1 1 1    9   19   18 o  203.922   7.3413  144.420   10.361  147.463   20.032  143.308   12.107  204.582   14.236  202.999   8.6169 1.582779 16.64063 
1 1 1    9   19   19 o  173.251   8.0491  104.453   9.6517   94.390   16.143  110.050   12.041  163.087   14.452  177.321   9.8497 -14.23456 17.48914 
1 1 1    9   19   20 o   61.416   17.653   13.840   7.9030   16.950   11.249   10.808   11.106   68.273   21.400   58.752   21.254 9.520237 30.16122 
1 1 1    9   21    0 o  364.237   9.0601  459.415   22.840  459.415   22.840   0.0000   0.0000  364.237   9.0601  ?   ?  0.000000 9.060129 
1 1 1    9   21    1 o  851.315   6.5192  2508.89   38.412  2204.39   68.378  2649.28   46.430  797.614   12.387  874.751   7.6690 -77.13629 14.56843 
1 1 1    9   21    2 o  270.142   9.3100  252.732   17.407  252.732   17.407   0.0000   0.0000  270.142   9.3100  ?   ?  0.000000 9.310035 
1 1 1    9   21    3 o  302.254   4.6171  316.208   9.6586  291.001   13.194  345.313   14.178  289.929   6.5752  315.829   6.4860 -25.90088 9.235844 
1 1 1    9   21    4 o  936.663   6.9695  3037.25   45.181  2945.21   62.122  3140.60   65.831  922.194   9.7330  952.274   9.9884 -30.07922 13.94631 
1 1 1    9   21    5 o  737.220   8.2754  1881.64   42.224   0.0000   0.0000  1881.64   42.224  ?   ?   737.220   8.2754 0.000000 8.275380 
1 1 1    9   21    6 o  962.055   7.1058  3203.82   47.314  3130.79   65.578  3283.11   68.331  950.898   9.9642  973.746   10.139 -22.84821 14.21566 
1 1 1    9   21    7 o  800.950   6.2140  2220.43   34.447  2220.27   48.913  2220.59   48.521  800.847   8.8246  800.906   8.7532 -0.5950928E-01 12.42952 
1 1 1    9   21    8 o  481.391   4.7816  802.021   15.931  811.477   22.941  793.212   22.141  484.195   6.8455  478.717   6.6825 5.477997 9.566423 
1 1 1    9   21    9 o  783.555   6.1622  2125.02   33.418  2140.81   47.688  2109.79   46.844  786.390   8.7619  780.674   8.6698 5.715454 12.32625 
1 1 1    9   21   10 o  1303.64   9.1741  5884.01   82.775  6154.04  122.657  5658.20  112.168  1332.86   13.296  1278.10   12.680 54.76404 18.37336 
1 1 1    9   21   11 o  537.534   6.0108  1000.17   22.362  1038.54   42.110  985.109   26.391  547.569   11.112  533.441   7.1480 14.12781 13.21215 
1 1 1    9   21   12 o  250.993   5.6754  218.074   9.8590  222.146   16.251  215.703   12.402  253.261   9.2711  249.602   7.1791 3.659149 11.72573 
1 1 1    9   21   13 o  236.282   6.5124  193.309   10.650  195.756   23.262  192.660   11.979  237.097   14.242  235.867   7.3380 1.229874 16.02115 
1 1 1    9   21   14 o  513.648   5.1477  913.506   18.300  957.321   26.950  876.016   24.929  525.670   7.4073  502.870   7.1626 22.79956 10.30394 
1 1 1    9   21   15 o  290.155   6.3375  291.692   12.727  282.480   14.873  316.878   24.594  285.467   7.5279  301.984   11.767 -16.51678 13.96902 
1 1 1    9   21   16 o   80.038   14.556   23.038   7.7664   14.598   10.508   33.200   11.530   64.989   20.722   95.805   18.050 -30.81647 27.48105 
1 1 1    9   21   17 o  246.642   5.6334  210.871   9.6165  211.688   13.760  210.090   13.445  246.902   8.0522  245.984   7.8974 0.9176788 11.27855 
1 1 1    9   21   18 o  142.398   8.9934   70.843   8.8179   93.171   16.097   61.269   10.540  162.283   14.484  131.934   11.663 30.34856 18.59564 
1 1 1    9   21   19 o  124.502   10.912   54.620   9.3079   78.146   18.993   47.184   10.678  146.746   19.158  115.030   13.680 31.71612 23.54098 
1 1 1    9   21   20 o  185.776   6.9643  120.115   8.9545  119.733   12.933  120.466   12.411  184.622   10.160  185.307   9.7105 -0.6846619 14.05426 
1 1 1    9   23    0 f  110.343   11.553   42.644   8.6920   0.0000   0.0000   42.644   8.6920  ?   ?   110.343   11.553 0.000000 11.55273 
1 1 1    9   23    1 o   62.804   15.018   14.227   6.4397   23.410   11.419   9.9452   7.7980   80.558   20.446   54.679   17.887 25.87952 27.16604 
1 1 1    9   23    2 o  519.928   5.7267  935.733   20.608  941.463   36.322  933.013   25.025  521.368   10.066  519.137   6.9650 2.230591 12.24054 
1 1 1    9   23    3 o  669.257   5.5658  1550.37   25.781  1473.17   50.299  1577.88   30.025  652.151   11.144  675.142   6.4256 -22.99146 12.86358 
1 1 1    9   23    4 o  752.353   5.9689  1959.26   31.081  1934.63   62.616  1967.31   35.803  747.338   12.106  753.869   6.8619 -6.531128 13.91528 
1 1 1    9   23    5 o  796.466   6.2142  2195.72   34.255  2166.84   48.095  2225.44   48.801  791.126   8.7837  801.751   8.7945 -10.62537 12.42967 
1 1 1    9   23    6 o  410.800   6.4005  584.111   18.198   0.0000   0.0000  584.111   18.198  ?   ?   410.800   6.4005 0.000000 6.400501 
1 1 1    9   23    7 o  387.507   4.5401  519.692   12.177  552.638   18.126  492.595   16.438  399.582   6.5540  377.254   6.2957 22.32822 9.087971 
1 1 1    9   23    8 o  396.453   4.5742  543.965   12.551  562.373   18.240  527.411   17.297  403.086   6.5382  390.357   6.4023 12.72897 9.150853 
1 1 1    9   23    9 o  867.823   6.6210  2606.78   39.768  2606.02   56.327  2607.54   56.154  867.599   9.3805  867.855   9.3488 -0.2552490 13.24363 
1 1 1    9   23   10 o  592.250   5.2686  1214.04   21.596  1277.45   31.874  1160.23   29.364  607.462   7.5813  578.927   7.3285 28.53448 10.54428 
1 1 1    9   23   11 o  199.424   5.3957  137.660   7.4474  155.477   11.108  123.111   10.038  211.914   7.5736  188.569   7.6909 23.34473 10.79398 
1 1 1    9   23   12 o  547.032   7.3868  1036.15   27.967  1102.44   45.068  994.634   35.665  564.026   11.545  535.855   9.6164 28.17175 15.02531 
1 1 1    9   23   13 o  141.304   7.1927   69.329   7.0111   79.628   10.646   61.443   9.3165  151.226   10.232  132.753   10.218 18.47380 14.46056 
1 1 1    9   23   14 o  379.297   4.8483  498.127   12.728  513.275   18.748  485.176   17.334  384.907   7.0374  374.244   6.6923 10.66382 9.711426 
1 1 1    9   23   15 o   95.405   11.232   32.058   7.2748   23.075   10.390   40.698   10.189   79.620   19.100  107.203   14.073 -27.58315 23.72402 
1 1 1    9   23   16 o  131.353   10.162   60.328   9.1665   62.133   10.690   55.317   17.815  133.092   11.725  123.487   21.633 9.605766 24.60633 
1 1 1    9   23   17 o  146.846   7.5545   75.061   7.6520   75.416   11.301   74.760   10.398  146.681   11.217  146.177   10.344 0.5040741 15.25883 
1 1 1    9   23   18 o  253.773   5.5589  223.371   9.7636  215.559   14.244  230.294   13.409  248.952   8.2671  257.431   7.5259 -8.478928 11.17961 
1 1 1    9   23   19 o   65.485   15.866   15.785   7.1151   30.073   11.075   5.7444   9.2845   90.272   18.352   49.162   19.076 41.10955 26.47062 
1 1 1    9   23   20 o   29.934   14.220  -9.5754   7.9929  -2.4259   16.128 -11.9029   9.2024   52.263   23.001   31.487   15.042 20.77613 27.48280 
1 1 1    9   25    0 o  729.862   6.7767  1844.07   34.232  1853.19   42.124  1826.34   58.743  731.599   8.3192  726.098   11.689 5.501892 14.34737 
1 1 1    9   25    1 f  635.917   5.4831  1399.73   24.132  1281.46   45.215  1446.84   28.537  608.269   10.740  646.504   6.3776 -38.23541 12.49096 
1 1 1    9   25    2 o  769.048   6.1042  2047.22   32.491  1949.76   62.692  2083.01   37.991  750.240   12.074  775.708   7.0763 -25.46747 13.99454 
1 1 1    9   25    3 o  370.253   9.7427  474.683   24.966  474.683   24.966   0.0000   0.0000  370.253   9.7427  ?   ?  0.000000 9.742668 
1 1 1    9   25    4 o  319.440   6.3976  353.204   14.144   0.0000   0.0000  353.204   14.144  ?   ?   319.440   6.3976 0.000000 6.397574 
1 1 1    9   25    5 o  1025.19   7.4873  3638.13   53.126  3466.34  102.490  3701.25   62.123  1000.28   14.804  1033.99   8.6808 -33.70996 17.16142 
1 1 1    9   25    6 o  966.330   8.2972  3232.45   55.493  3309.27   99.720  3197.99   66.790  977.418   14.741  961.096   10.041 16.32214 17.83572 
1 1 1    9   25    7 o  378.767   4.5799  496.514   12.006  501.417   17.434  492.092   16.558  380.614   6.6181  377.061   6.3449 3.553070 9.168299 
1 1 1    9   25    8 o  720.448   6.6724  1796.56   33.271  1814.64   41.696  1764.88   55.198  724.023   8.3208  713.935   11.171 10.08765 13.92922 
1 1 1    9   25    9 o  591.959   5.2672  1212.83   21.580  1206.41   30.674  1219.11   30.366  590.344   7.5073  593.447   7.3930 -3.103333 10.53641 
1 1 1    9   25   10 o  871.374   6.6599  2628.41   40.165  2642.12   57.278  2615.14   56.338  873.505   9.4742  869.039   9.3667 4.465515 13.32275 
1 1 1    9   25   11 o  657.544   6.3420  1496.76   28.862  1561.95   50.501  1465.14   35.172  671.479   10.867  650.501   7.8122 20.97833 13.38331 
1 1 1    9   25   12 o  348.394   4.7639  420.151   11.487  442.410   17.055  401.669   15.541  357.452   6.8938  340.604   6.5925 16.84790 9.538615 
1 1 1    9   25   13 o  382.249   5.7026  505.924   15.087  551.219   31.247  492.155   17.228  398.662   11.325  376.975   6.6030 21.68710 13.10898 
1 1 1    9   25   14 o  223.814   5.2727  173.473   8.1677  180.665   12.145  167.534   11.036  228.315   7.6860  219.880   7.2518 8.435089 10.56710 
1 1 1    9   25   15 o  246.630   5.1513  210.689   8.7931  219.488   13.015  203.300   11.927  251.598   7.4743  242.164   7.1159 9.433807 10.31991 
1 1 1    9   25   16 o  242.964   5.3445  204.554   8.9873  207.074   13.217  202.387   12.257  244.271   7.8180  241.532   7.3321 2.739059 10.71822 
1 1 1    9   25   17 o  193.076   9.0092  129.640   12.039  129.854   15.525  129.317   19.067  192.565   11.705  191.568   14.488 0.9972229 18.62494 
1 1 1    9   25   18 o  158.339   7.1792   87.111   7.8675   82.581   11.649   90.909   10.668  153.359   11.049  161.218   9.6042 -7.858902 14.63999 
1 1 1    9   25   19 o  180.972   6.6445  113.839   8.3225  119.469   12.244  109.002   11.347  184.706   9.6107  176.470   9.3234 8.236679 13.38999 
1 1 1    9   25   20 o   39.014   16.583   0.5317   7.8186   4.1968   10.674  -3.7107   11.484   49.165   19.997   42.719   19.070 6.445950 27.63243 
1 1 1    9   27    1 o  977.213   10.225  3306.72   69.156  3306.72   69.156   0.0000   0.0000  977.213   10.225  ?   ?  0.000000 10.22501 
1 1 1    9   27    2 o  898.750   6.8015  2796.02   42.308  2632.20   80.549  2858.44   49.718  871.693   13.351  908.684   7.9054 -36.99133 15.51613 
1 1 1    9   27    3 o  976.848   10.213  3304.03   69.048   0.0000   0.0000  3304.03   69.048  ?   ?   976.848   10.213 0.000000 10.21285 
1 1 1    9   27    4 o  486.742   5.6765  820.000   19.123  765.854   32.692  848.165   23.578  470.318   10.043  495.013   6.8819 -24.69418 12.17471 
1 1 1    9   27    5 o  232.036   5.0334  186.340   8.0834  217.219   19.848  180.200   8.8507  250.465   11.450  228.178   5.6044 22.28773 12.74772 
1 1 1    9   27    6 o  1109.86   9.2626  4264.24   71.151  4264.88  124.455  4263.93   86.720  1109.52   16.207  1109.72   11.291 -0.1975098 19.75214 
1 1 1    9   27    7 o  686.458   11.790  1631.71   56.015  1631.71   56.015   0.0000   0.0000  686.458   11.790  ?   ?  0.000000 11.79001 
1 1 1    9   27    8 o  816.167   6.3552  2305.66   35.899  2327.32   51.384  2285.00   50.177  819.905   9.0549  812.422   8.9237 7.483154 12.71313 
1 1 1    9   27    9 o  424.808   4.7496  624.589   13.964  629.274   20.238  620.331   19.294  426.366   6.8581  423.330   6.5850 3.035614 9.507657 
1 1 1    9   27   10 o  254.954   5.1649  224.988   9.1138  253.268   15.237  209.233   11.373  270.461   8.1396  245.847   6.6837 24.61336 10.53211 
1 1 1    9   27   11 o  580.292   5.2620  1165.62   21.134  1192.99   30.781  1141.22   29.068  586.977   7.5767  574.112   7.3154 12.86566 10.53191 
1 1 1    9   27   12 o  393.488   4.6946  535.968   12.785  570.823   19.021  507.242   17.268  406.015   6.7687  382.745   6.5185 23.27069 9.397177 
1 1 1    9   27   13 o   85.202   9.4478   25.475   5.4775   30.237   8.8985   22.570   6.9504   92.193   14.418   79.590   13.071 12.60256 19.46124 
1 1 1    9   27   14 o  172.153   5.7951  102.658   6.9048  112.818   10.566   95.085   9.1222  180.372   8.4636  165.611   7.9586 14.76131 11.61773 
1 1 1    9   27   15 o  111.962   7.8794   43.697   6.0669   47.811   9.4701   40.833   7.9012  116.628   11.899  107.862   10.726 8.766319 16.01963 
1 1 1    9   27   16 o  150.165   7.0899   78.231   7.3686   83.366   12.749   75.655   9.0294  154.190   12.043  147.299   8.8987 6.890533 14.97363 
1 1 1    9   27   17 o  182.239   6.1564  115.212   7.7651  117.201   11.796  113.690   10.315  183.280   9.3300  180.855   8.2409 2.424713 12.44833 
1 1 1    9   27   18 o   49.235   18.818   6.1253   8.9390   5.5699   10.327   7.7854   17.853   50.783   19.998   64.215   25.954 -13.43123 32.76455 
1 1 1    9   27   19 o   90.525   11.400   29.184   6.9841   18.368   10.518   37.714   9.3404   70.455   20.399  102.578   13.483 -32.12258 24.45210 
1 1 1    9   27   20 o  182.379   6.7928  115.865   8.5743  110.697   12.294  120.758   11.964  177.302   10.060  185.421   9.3530 -8.119339 13.73627 
1 1 1    9   29    0 o  526.084   5.8198  957.929   21.190  944.817   25.617  986.341   37.711  522.449   7.0845  533.732   10.209 -11.28259 12.42599 
1 1 1    9   29    1 o  599.334   5.3533  1243.22   22.206  1206.99   30.833  1282.27   32.007  590.493   7.5445  608.627   7.5984 -18.13428 10.70769 
1 1 1    9   29    2 o  323.885   5.3555  363.070   12.005  367.220   19.574  360.569   15.199  325.693   8.6836  322.753   6.8042 2.939636 11.03189 
1 1 1    9   29    3 o  935.568   7.0237  3029.69   45.479  2870.73   87.070  3089.33   53.333  910.392   13.819  944.693   8.1570 -34.30133 16.04643 
1 1 1    9   29    4 o  1161.33   8.3190  4668.62   66.866  4689.76  135.542  4661.82   76.871  1163.41   16.833  1160.43   9.5712 2.981201 19.36399 
1 1 1    9   29    5 o  790.352   7.2339  2162.14   39.571  2152.68   69.516  2166.68   48.129  788.437   12.739  791.138   8.7898 -2.701477 15.47729 
1 1 1    9   29    6 o  1520.72   10.496  8006.70  110.476  7912.19  219.649  8038.71  127.821  1510.63   21.008  1523.64   12.121 -13.00159 24.25438 
1 1 1    9   29    7 o  1182.74   9.7881  4843.16   80.125  4965.85  143.550  4787.64   96.567  1197.04   17.327  1175.82   11.866 21.22607 21.00051 
1 1 1    9   29    8 o  717.343   5.8451  1781.09   29.020  1840.98   62.594  1764.70   32.752  729.049   12.405  714.014   6.6277 15.03534 14.06455 
1 1 1    9   29    9 o  509.656   5.9087  899.104   20.842  827.805   37.625  930.669   25.035  488.878   11.120  518.500   6.9761 -29.62296 13.12696 
1 1 1    9   29   10 o  994.524   7.3755  3424.40   50.767  3537.77   74.248  3324.86   69.571  1010.60   10.615  979.746   10.260 30.85052 14.76301 
1 1 1    9   29   11 o  991.884   7.3766  3406.71   50.640  3544.44   74.562  3288.78   68.994  1011.40   10.652  974.289   10.232 37.11163 14.76965 
1 1 1    9   29   12 o  277.610   4.5833  266.786   8.8063  281.273   13.161  255.042   11.850  284.994   6.6724  271.390   6.3087 13.60416 9.182618 
1 1 1    9   29   13 o  166.710   5.7081   96.250   6.5862  118.629   9.8416   78.098   8.8635  185.022   7.6854  149.853   8.5817 35.16896 11.52002 
1 1 1    9   29   14 o  119.509   6.7412   49.654   5.5532   54.091   8.9685   46.895   7.0718  124.364   10.518  115.926   8.8816 8.437393 13.76643 
1 1 1    9   29   15 o  224.935   5.0307  175.277   7.8319  178.434   11.988  172.926   10.345  226.795   7.6374  223.331   6.6925 3.463974 10.15472 
1 1 1    9   29   16 o  160.412   7.1778   89.297   7.9690  103.902   19.547   86.385   8.7272  171.204   16.709  157.517   8.0319 13.68713 18.53923 
1 1 1    9   29   17 o  156.068   6.3560   84.527   6.8656   82.457   10.431   86.110   9.1193  153.529   9.8690  157.134   8.4158 -3.604523 12.97003 
1 1 1    9   29   18 f  125.574   8.0284   55.102   6.9411   52.198   10.383   57.449   9.3334  121.349   12.543  127.771   10.651 -6.421898 16.45548 
1 1 1    9   29   19 o  111.679   13.667   44.691   10.343   44.691   10.343   0.0000   0.0000  111.679   13.667  ?   ?  0.000000 13.66697 
1 1 1    9   31    0 o  589.345   6.1225  1202.15   24.973  1188.38   30.238  1231.71   44.293  585.935   7.4563  596.441   10.730 -10.50568 13.06618 
1 1 1    9   31    1 o  113.583   9.5200   44.977   7.4148   61.610   11.744   33.952   9.5615  132.749   12.947   97.942   14.547 34.80774 19.47441 
1 1 1    9   31    2 o  1675.77   11.471  9723.60  133.044  9464.02  182.658 10016.95  194.174  1652.81   15.968  1700.34   16.500 -47.53308 22.96101 
1 1 1    9   31    3 o  773.745   7.1457  2072.23   38.266  1947.81   63.335  2143.76   48.023  750.001   12.201  786.942   8.8172 -36.94086 15.05361 
1 1 1    9   31    4 o  1027.26   8.7496  3653.00   62.208  3646.83  108.550  3656.01   75.909  1026.06   15.286  1027.61   10.673 -1.549438 18.64313 
1 1 1    9   31    5 o  518.774   5.0938  931.433   18.289  883.903   37.247  946.534   20.994  505.269   10.651  522.954   5.8005 -17.68484 12.12805 
1 1 1    9   31    6 f  1589.46   10.945  8747.61  120.401  8200.00  225.807  8965.14  142.320  1537.71   21.217  1608.94   12.781 -71.22363 24.76902 
1 1 1    9   31    7 o  1696.08   13.442  9964.81  157.796  9507.32  260.412 10230.25  198.359  1655.16   22.732  1718.06   16.682 -62.89917 28.19640 
1 1 1    9   31    8 f  722.198   5.8750  1805.34   29.366  1786.83   61.093  1810.90   33.488  718.210   12.290  723.286   6.6896 -5.075623 13.99302 
1 1 1    9   31    9 o  765.969   6.1104  2030.95   32.394  2057.07   68.983  2023.56   36.691  770.479   12.936  764.541   6.9339 5.938293 14.67721 
1 1 1    9   31   10 o  170.256   6.7706  100.358   7.9782  135.805   21.396   94.633   8.5983  197.227   15.807  165.320   7.5147 31.90608 17.50253 
1 1 1    9   31   11 o  428.490   5.6266  635.638   16.687  711.219   34.420  612.417   19.078  452.985   10.979  420.559   6.5545 32.42566 12.78650 
1 1 1    9   31   12 o  313.717   11.642  341.463   25.278  341.463   25.278   0.0000   0.0000  313.717   11.642  ?   ?  0.000000 11.64183 
1 1 1    9   31   13 o  186.144   10.637  120.659   13.647  122.439   19.879  119.073   18.768  186.867   15.511  184.368   14.834 2.499390 21.46216 
1 1 1    9   31   14 o  228.459   4.5699  180.752   7.2259  226.069   11.425  150.538   9.3288  255.403   6.4632  208.414   6.4673 46.98819 9.143216 
1 1 1    9   31   15 o  133.258   6.2336   61.562   5.7492   60.732   10.475   61.919   6.8777  131.562   11.624  133.384   7.4803 -1.821442 13.82257 
1 1 1    9   31   16 o  146.291   5.9487   74.215   6.0230   68.514   9.4922   78.057   7.7927  139.964   9.8618  149.747   7.5431 -9.782639 12.41587 
1 1 1    9   31   17 o  283.228   5.8557  278.317   11.479  268.049   23.589  281.503   13.139  276.736   12.316  284.735   6.6673 -7.999573 14.00472 
1 1 1    9   31   18 o  208.452   5.9174  150.872   8.5372  132.910   11.466  173.219   12.789  195.309   8.4821  223.002   8.2862 -27.69336 11.85782 
1 1 1    9   31   19 o  138.670   7.1816   67.145   6.8690   59.492   10.043   73.871   9.4160  129.627   11.307  145.013   9.4330 -15.38559 14.72509 
1 1 1    9   33    0 o  342.099   4.8574  405.035   11.501  384.298   15.849  428.101   16.715  333.210   6.8724  351.688   6.8671 -18.47772 9.715243 
1 1 1    9   33    1 o  712.549   11.855  1758.05   58.464   0.0000   0.0000  1758.05   58.464  ?   ?   712.549   11.855 0.000000 11.85485 
1 1 1    9   33    2 o  950.857   8.2013  3129.67   53.973  2898.54   86.207  3278.69   69.218  914.848   13.615  973.153   10.277 -58.30542 17.05810 
1 1 1    9   33    3 o  546.451   5.1812  1033.47   19.595  964.122   26.334  1119.51   29.331  527.770   7.2094  568.708   7.4519 -40.93744 10.36856 
1 1 1    9   33    4 o  836.627   6.5422  2422.65   37.882  2304.39   73.532  2465.38   44.198  815.726   13.024  843.946   7.5669 -28.21985 15.06292 
1 1 1    9   33    5 f  106.668   10.981   39.814   7.9909   44.380   16.220   38.351   9.1826  111.201   21.854  104.428   12.985 6.772453 25.42088 
1 1 1    9   33    6 o  240.045   6.3844  199.448   10.607  173.317   20.108  209.521   12.485  223.309   13.067  246.024   7.3324 -22.71533 14.98405 
1 1 1    9   33    7 f  201.233   7.0877  140.180   9.8714  129.219   19.543  143.934   11.438  192.539   14.778  203.900   8.1049 -11.36069 16.85473 
1 1 1    9   33    8 o  637.205   6.2204  1405.50   27.433   0.0000   0.0000  1405.50   27.433  ?   ?   637.205   6.2204 0.000000 6.220407 
1 1 1    9   33    9 o  434.245   4.7664  652.690   14.325  699.512   34.254  642.765   15.771  449.350   11.014  430.921   5.2878 18.42944 12.21779 
1 1 1    9   33   10 o  721.028   8.7325  1800.66   43.578  1849.27   63.376  1757.07   60.019  730.354   12.538  711.952   12.180 18.40247 17.48007 
1 1 1    9   33   11 o  892.337   9.9119  2759.85   61.216  2849.27   89.272  2680.49   84.103  905.923   14.238  878.762   13.828 27.16095 19.84784 
1 1 1    9   33   12 f  529.205   7.8041  970.491   28.584  1018.54   41.931  928.781   39.068  541.754   11.183  517.368   10.911 24.38574 15.62365 
1 1 1    9   33   13 o  393.937   7.6680  537.990   20.907  539.512   30.184  536.585   28.986  394.114   11.066  393.097   10.654 1.017334 15.36074 
1 1 1    9   33   14 o  148.351   17.455   78.098   17.580   0.0000   0.0000   78.098   17.580  ?   ?   148.351   17.455 0.000000 17.45542 
1 1 1    9   33   15 o  288.174   8.3990  288.406   16.752  330.634   24.933  253.658   22.617  308.037   11.695  269.739   12.115 38.29742 16.83847 
1 1 1    9   33   16 o   43.229   15.639   5.4802   6.0126   6.2976   6.4786   0.4032   16.146   45.594   16.264   55.476   23.710 -9.881802 28.75247 
1 1 1    9   33   17 o  183.539   7.0809  117.050   8.9949  119.829   9.9877  105.122   20.694  185.627   7.7740  171.275   17.713 14.35211 19.34424 
1 1 1    9   33   18 f   70.101   11.490   17.667   5.3814   21.510   8.7703   15.346   6.8152   76.286   17.041   64.551   15.459 11.73536 23.00782 
1 1 1    9   33   19 o   33.369   14.651  -1.3726   6.5090 -21.7415   16.927   2.1619   7.0512   42.137   20.201   39.419   16.168 2.717335 25.87476 
1 1 1    9   35    0 o  909.128   7.9718  2860.97   50.160  2755.12   83.496  2920.74   62.744  891.927   13.526  918.510   9.8699 -26.58289 16.74390 
1 1 1    9   35    1 f  878.527   6.7339  2671.41   40.945  2587.90   56.172  2766.09   59.807  864.607   9.3870  893.868   9.6673 -29.26099 13.47486 
1 1 1    9   35    2 f  393.658   5.6225  536.345   15.319  526.548   18.590  557.073   27.040  390.032   6.8865  401.138   9.7396 -11.10516 11.92826 
1 1 1    9   35    4 o  485.284   5.8748  815.103   19.732  789.268   35.236  826.906   23.816  477.439   10.663  488.767   7.0404 -11.32770 12.77788 
1 1 1    9   35    5 o  983.097   8.4992  3345.89   57.830  3175.12   96.343  3442.07   72.304  957.315   14.541  997.023   10.478 -39.70819 17.92276 
1 1 1    9   35    6 o  328.916   11.262  374.683   25.637  374.683   25.637   0.0000   0.0000  328.916   11.262  ?   ?  0.000000 11.26168 
1 1 1    9   35    7 o  761.441   7.0039  2007.13   36.911   0.0000   0.0000  2007.13   36.911  ?   ?   761.441   7.0039 0.000000 7.003891 
1 1 1    9   35    8 o  548.030   6.1943  1039.68   23.495  953.659   40.671  1082.76   28.784  524.674   11.200  559.230   7.4367 -34.55640 13.44401 
1 1 1    9   35    9 o  812.846   6.3667  2287.44   35.818  2293.17   74.583  2285.72   40.835  813.286   13.250  812.489   7.2618 0.7968750 15.10959 
1 1 1    9   35   10 o  145.945   5.2501   73.738   5.3031   80.927   19.747   73.179   5.5054  151.328   19.293  145.389   5.4711 5.939178 20.05395 
1 1 1    9   35   11 o  630.763   11.702  1380.49   51.088  1380.49   51.088   0.0000   0.0000  630.763   11.702  ?   ?  0.000000 11.70244 
1 1 1    9   35   12 o  483.350   7.6527  809.732   25.601  823.903   36.903  796.585   35.545  487.168   10.945  479.054   10.721 8.113678 15.32059 
1 1 1    9   35   13 o  195.629   9.9006  133.222   13.362  136.049   19.424  130.683   18.409  197.072   14.339  193.204   13.859 3.867432 19.94204 
1 1 1    9   35   14 f   74.119   21.138   19.870   11.374   31.937   16.270   8.3366   15.906   93.175   24.794   62.968   24.812 30.20679 35.07638 
1 1 1    9   35   15 o   64.356   21.938   13.680   11.711   14.371   17.434   13.112   15.809   71.077   26.473   67.897   25.225 3.180016 36.56696 
1 1 1    9   35   16 o  173.150   16.372  106.585   19.388   0.0000   0.0000  106.585   19.388  ?   ?   173.150   16.372 0.000000 16.37237 
1 1 1    9   35   17 o  212.646   14.151  159.902   20.707  159.902   20.707   0.0000   0.0000  212.646   14.151  ?   ?  0.000000 14.15054 
1 1 1    9   35   18 o  112.764   7.4243   44.462   5.7619   47.132   6.0522   18.620   18.831  116.090   7.5740   75.548   27.623 40.54228 28.64298 
1 1 1    9   37    0 o  867.008   6.7113  2601.87   40.272  2494.40   54.746  2728.61   59.452  848.831   9.3187  887.773   9.6758 -38.94232 13.43353 
1 1 1    9   37    1 o  1182.56   8.4824  4841.07   69.426  4664.42   94.456  5048.64  102.390  1160.60   11.759  1207.42   12.252 -46.82153 16.98214 
1 1 1    9   37    2 o  752.179   7.0781  1958.38   36.848  1930.94   44.353  2019.51   66.206  746.848   8.5804  763.627   12.527 -16.77911 15.18373 
1 1 1    9   37    3 o  893.603   7.8687  2764.25   48.666  2713.01   58.726  2876.58   86.948  885.211   9.5853  911.272   13.786 -26.06018 16.79078 
1 1 1    9   37    4 o  542.485   5.2626  1018.57   19.759  992.588   27.378  1046.82   28.546  535.479   7.3871  549.910   7.5003 -14.43073 10.52730 
1 1 1    9   37    5 o  543.214   11.053  1021.95   41.555  1021.95   41.555   0.0000   0.0000  543.214   11.053  ?   ?  0.000000 11.05297 
1 1 1    9   37    6 o  907.600   8.0578  2851.95   50.616  2764.88   86.672  2897.01   62.353  893.209   14.020  914.635   9.8499 -21.42578 17.13425 
1 1 1    9   37    7 o  549.634   5.2918  1045.68   20.131  1006.83   42.608  1056.84   22.841  539.097   11.419  552.543   5.9726 -13.44580 12.88701 
1 1 1    9   37    8 o  1045.31   8.9440  3784.34   64.708  3610.73  108.310  3880.70   80.691  1020.26   15.338  1058.32   11.016 -38.05719 18.88445 
1 1 1    9   37    9 o  834.824   9.4922  2414.53   54.845  2379.02   76.442  2452.20   78.735  828.204   13.336  840.817   13.530 -12.61224 18.99721 
1 1 1    9   37   10 o  300.846   4.8547  313.338   10.108  373.366   25.854  302.506   10.983  328.103   11.385  295.587   5.3684 32.51572 12.58742 
1 1 1    9   37   11 o  447.160   7.5460  692.868   23.354  709.268   33.896  678.049   32.222  452.102   10.833  442.073   10.531 10.02881 15.10798 
1 1 1    9   37   13 o   83.472   21.309   25.466   12.352   29.112   19.027   22.810   16.240   90.231   27.759   80.802   25.761 9.429390 37.87060 
1 1 1    9   37   14 o   95.867   18.254   33.351   11.669   46.610   16.863   21.166   16.166  112.817   22.386   78.342   25.760 34.47479 34.12839 
1 1 1    9   37   15 o  243.623   8.8540  206.380   14.929  198.195   21.196  214.439   21.031  237.759   12.929  247.790   12.263 -10.03098 17.81992 
1 1 1    9   37   16 o  102.765   24.628   39.678   17.288   39.678   17.288   0.0000   0.0000  102.765   24.628  ?   ?  0.000000 24.62811 
1 1 1    9   37   17 o   69.894   22.680   17.390   12.546   12.532   16.975   23.239   18.625   67.659   25.915   81.117   27.666 -13.45852 37.90781 
1 1 1    9   37   18 o   57.466   22.536   8.0462   13.064 -13.2244   18.431   29.527   18.521   49.094   22.760   87.939   27.443 -38.84489 35.65316 
1 1 1    9   39    0 o  484.073   6.0313  811.069   20.207  808.293   35.244  812.428   24.663  483.144   10.540  484.455   7.3556 -1.311218 12.85261 
1 1 1    9   39    1 o  601.295   5.5187  1251.40   22.967  1214.01   31.569  1293.44   33.474  592.196   7.7023  611.255   7.9125 -19.05914 11.04234 
1 1 1    9   39    2 o  510.099   5.2105  900.584   18.396  848.075   24.801  964.808   27.428  494.968   7.2395  527.929   7.5066 -32.96118 10.42874 
1 1 1    9   39    3 o  585.366   5.5065  1186.00   22.309  1151.74   30.321  1226.44   32.941  576.800   7.5952  595.200   7.9965 -18.40021 11.02862 
1 1 1    9   39    4 o  356.735   5.1302  440.469   12.667  435.538   17.390  446.043   18.487  354.703   7.0835  358.949   7.4415 -4.245819 10.27388 
1 1 1    9   39    5 o  1043.69   7.7263  3771.22   55.811  3610.24  108.153  3829.65   65.156  1020.50   15.313  1051.66   8.9517 -31.16010 17.73713 
1 1 1    9   39    6 o  111.751   12.577   43.820   9.5586   13.156   19.044   54.147   11.052   72.793   27.552  124.319   13.038 -51.52605 30.48098 
1 1 1    9   39    7 o  1195.31   8.5936  4947.92   71.094  4798.54  139.560  5000.27   82.617  1175.85   17.149  1201.47   9.9353 -25.61816 19.81896 
1 1 1    9   39    8 o  335.196   5.0026  388.935   11.606  351.610   25.620  398.572   13.018  318.494   11.623  339.312   5.5433 -20.81738 12.87693 
1 1 1    9   39    9 o  159.817   6.2743   88.444   6.9401   65.756   19.142   91.877   7.4468  135.806   21.046  162.885   6.6056 -27.07890 22.05856 
1 1 1    9   39   10 o  533.666   5.0725  986.102   18.736  987.317   41.195  985.785   21.037  533.438   11.158  533.542   5.6970 -0.1044922 12.52824 
1 1 1    9   39   11 o  357.885   7.7296  443.964   19.146  440.732   27.569  446.976   26.609  356.260   11.181  358.825   10.715 -2.565033 15.48603 
1 1 1    9   39   12 o  236.275   12.323  194.732   20.082   0.0000   0.0000  194.732   20.082  ?   ?   236.275   12.323 0.000000 12.32310 
1 1 1    9   39   13 o  340.962   7.8439  403.389   18.510  403.415   26.890  403.366   25.519  340.463   11.412  340.539   10.827 -0.7553101E-01 15.73063 
1 1 1    9   39   14 o  235.984   8.7802  193.522   14.340  198.244   20.476  188.976   20.091  238.023   12.473  232.362   12.539 5.660309 17.68589 
1 1 1    9   39   15 o   49.608   20.345   3.2724   11.163  -8.4683   15.203   17.010   16.445   47.020   21.376   72.879   25.921 -25.85842 33.59869 
1 1 1    9   39   16 o   81.782   21.703   24.909   12.488   13.854   16.863   38.337   18.585   69.244   25.988  100.524   26.380 -31.28072 37.03088 
1 1 1    9   39   17 o   94.368   28.125   34.088   19.750   0.0000   0.0000   34.088   19.750  ?   ?    94.368   28.125 0.000000 28.12536 
1 1 1    9   39   18 f   44.476   19.984  -4.7939   12.833  -4.1673   18.156  -5.4195   18.142   54.018   24.055   53.156   23.831 0.8614845 33.86129 
1 1 1    9   41    0 o  274.682   5.7510  261.157   10.933  259.829   15.212  262.576   15.725  273.954   8.0228  275.395   8.2501 -1.440918 11.50778 
1 1 1    9   41    1 o  409.970   5.1907  581.742   14.728  574.256   20.310  590.045   21.390  407.290   7.2049  412.845   7.4861 -5.555176 10.39000 
1 1 1    9   41    2 o  256.547   6.6009  227.831   11.720  232.022   14.176  218.781   20.834  258.879   7.9121  251.313   11.978 7.566010 14.35532 
1 1 1    9   41    3 o  180.731   8.2743  113.091   10.350  113.621   11.961  111.512   20.648  180.884   9.5884  178.527   16.913 2.357330 19.44168 
1 1 1    9   41    4 o  488.193   5.2294  824.945   17.669  799.070   24.132  854.849   25.943  480.428   7.2574  496.905   7.5434 -16.47678 10.46769 
1 1 1    9   41    5 o  418.856   5.6891  607.294   16.492  598.537   26.109  613.109   21.274  415.733   9.0741  420.817   7.3042 -5.083832 11.64866 
1 1 1    9   41    6 o  895.064   6.9436  2773.74   43.015  2704.88   85.913  2796.77   49.691  883.222   14.054  898.703   7.9889 -15.48102 16.16630 
1 1 1    9   41    7 o  164.290   7.5260   93.469   8.5576   74.098   20.316   97.647   9.4356  144.473   20.927  167.913   8.1191 -23.43956 22.44671 
1 1 1    9   41    8 o  336.592   5.0905  392.217   11.859  358.439   25.994  401.096   13.327  321.500   11.682  340.364   5.6571 -18.86414 12.97952 
1 1 1    9   41    9 o  523.966   5.1509  950.569   18.679  976.585   41.218  943.845   20.955  530.563   11.225  522.073   5.7992 8.490112 12.63431 
1 1 1    9   41   10 o  491.514   4.9518  836.549   16.845  831.707   37.594  837.766   18.842  489.474   11.097  491.833   5.5353 -2.359589 12.40112 
1 1 1    9   41   11 o  356.564   7.8293  440.831   19.321  419.463   27.249  462.439   27.401  347.443   11.331  364.870   10.851 -17.42651 15.68870 
1 1 1    9   41   12 o   59.661   21.453   10.635   11.293   1.5376   16.844   18.063   15.221   57.985   24.477   73.809   25.012 -15.82447 34.99556 
1 1 1    9   41   13 o  163.391   10.991   93.345   12.356   69.366   17.738  115.951   17.223  139.158   18.906  181.691   13.799 -42.53250 23.40644 
1 1 1    9   41   14 o   74.103   20.555   20.080   10.912   28.356   15.380   11.693   15.483   87.625   24.439   65.781   24.856 21.84418 34.85802 
1 1 1    9   41   15 o  248.893   8.6171  215.563   14.844  218.829   20.355  211.854   21.694  250.178   11.756  245.603   12.807 4.574631 17.38400 
1 1 1    9   41   16 o  176.054   11.835  109.110   14.337   99.707   19.178  121.024   21.587  166.801   16.843  183.802   17.168 -17.00032 24.05035 
1 1 1    9   43    0 o  897.192   6.9367  2786.64   43.074  2687.54   58.776  2901.61   63.308  880.941   9.6399  915.328   9.9932 -34.38715 13.88496 
1 1 1    9   43    1 o  148.945   12.400   77.396   12.666   97.268   18.431   59.610   17.436  166.701   16.178  129.526   20.102 37.17528 25.80326 
1 1 1    9   43    2 o  1075.76   7.9123  4006.80   58.911  3941.31   81.765  4077.50   84.951  1066.67   11.076  1084.92   11.313 -18.24878 15.83226 
1 1 1    9   43    3 o  1109.41   8.0996  4261.63   62.192  4074.73   83.896  4489.63   92.660  1084.53   11.177  1138.34   11.761 -53.81042 16.22485 
1 1 1    9   43    4 o  482.091   6.0007  804.549   20.022  727.805   30.709  861.298   26.407  458.397   9.6792  498.750   7.6499 -40.35321 12.33728 
1 1 1    9   43    5 o  686.542   6.7223  1631.88   31.942  1503.42   50.110  1719.81   41.456  658.700   10.991  704.694   8.4999 -45.99420 13.89465 
1 1 1    9   43    6 o  155.904   8.7395   84.457   9.3922   67.317   21.683   88.416   10.421  137.074   23.713  159.471   9.4841 -22.39772 25.53956 
1 1 1    9   43    7 o  508.049   7.9463  894.087   27.941  857.073   38.322  936.097   40.827  497.189   11.137  519.585   11.353 -22.39627 15.90323 
1 1 1    9   43    8 o  503.174   5.8840  876.750   20.491  883.903   38.941  874.011   24.098  504.783   11.146  502.322   6.9313 2.460754 13.12558 
1 1 1    9   43    9 o  515.646   6.1607  920.984   21.987  877.561   38.985  941.239   26.625  502.806   11.203  521.180   7.3812 -18.37378 13.41570 
1 1 1    9   43   10 o  317.113   4.6872  348.227   10.287  355.122   25.526  346.890   11.241  319.703   11.536  316.483   5.1317 3.220215 12.62586 
1 1 1    9   43   11 o  245.332   8.8537  208.887   15.033  223.122   21.580  195.463   20.955  253.212   12.314  236.598   12.845 16.61342 17.79366 
1 1 1    9   43   12 o  331.233   7.9698  380.767   18.271  392.049   26.561  370.634   25.173  335.596   11.435  326.350   11.145 9.246124 15.96775 
1 1 1    9   43   13 o  230.163   8.9782  184.139   14.302  197.610   21.121  172.732   19.436  237.534   12.896  222.076   12.698 15.45869 18.09820 
1 1 1    9   43   14 o   65.848   25.029   11.585   15.758   11.585   15.758   0.0000   0.0000   65.848   25.029  ?   ?  0.000000 25.02880 
1 1 1    9   43   15 o   40.986   18.602  -6.2248   11.453  -4.4063   15.260  -8.5707   17.332   49.851   22.134   50.572   22.926 -0.7215919 31.86777 
1 1 1    9   43   16 o   63.477   22.913   12.737   12.897 -13.3854   17.205   46.244   19.485   47.203   21.921  109.868   26.025 -62.66534 34.02682 
1 1 1    9   43   17 o  108.760   18.231   43.696   13.238   57.366   18.178   28.263   19.315  123.356   22.104   86.323   28.147 37.03282 35.78900 
1 1 1    9   45    0 o  390.505   10.785  528.293   29.149   0.0000   0.0000  528.293   29.149  ?   ?   390.505   10.785 0.000000 10.78501 
1 1 1    9   45    1 o  647.066   5.7998  1449.38   25.974  1415.70   35.992  1485.98   37.521  639.404   8.1330  655.077   8.2757 -15.67230 11.60312 
1 1 1    9   45    2 o  671.108   5.8921  1559.12   27.368  1518.44   37.725  1604.33   39.764  662.186   8.2313  680.644   8.4410 -18.45801 11.79004 
1 1 1    9   45    3 o  532.946   6.1452  983.302   22.667  907.317   35.994  1033.24   29.180  511.763   10.162  546.249   7.7183 -34.48615 12.76084 
1 1 1    9   45    4 o  825.173   6.5819  2357.53   37.590  2278.10   51.205  2450.38   55.358  810.963   9.1229  841.032   9.5103 -30.06927 13.17850 
1 1 1    9   45    6 o  642.933   6.7247  1431.52   29.924  1351.22   50.811  1474.15   37.026  624.173   11.762  652.322   8.2009 -28.14886 14.33859 
1 1 1    9   45    7 f  557.917   6.2687  1078.01   24.206  1079.51   43.728  1077.34   29.065  557.817   11.326  557.649   7.5307 0.1682129 13.60148 
1 1 1    9   45    8 o  181.301   6.8274  113.877   8.5671  121.463   20.333  112.239   9.4465  186.109   15.940  179.969   7.5839 6.139572 17.65180 
1 1 1    9   45    9 o  330.233   5.0299  377.665   11.496  360.585   26.130  381.765   12.802  322.155   11.719  331.992   5.5714 -9.837982 12.97624 
1 1 1    9   45   10 o  487.642   5.5985  823.811   18.895   0.0000   0.0000  823.811   18.895  ?   ?   487.642   5.5985 0.000000 5.598452 
1 1 1    9   45   11 o  156.377   11.999   85.632   12.887   73.756   17.671   99.122   18.834  143.900   18.147  167.505   16.458 -23.60472 24.49863 
1 1 1    9   45   12 o  290.118   7.9741  292.219   16.011  272.049   22.419  313.220   22.876  279.422   11.592  299.919   11.020 -20.49738 15.99463 
1 1 1    9   45   13 o  114.074   15.883   46.570   12.200   58.488   17.486   35.268   17.028  126.841   20.628   97.260   25.120 29.58035 32.50418 
1 1 1    9   45   14 o  166.787   11.063   97.566   12.698  103.610   18.297   91.951   17.636  170.790   15.653  160.699   16.072 10.09016 22.43524 
1 1 1    9   45   15 o  195.342   10.708  133.818   14.422  141.707   19.971  125.219   20.850  199.946   14.531  187.330   16.242 12.61533 21.79329 
1 1 1    9   45   16 o   65.958   22.790   14.839   12.651 -17.8098   18.311   44.654   17.498   46.609   21.955  108.236   23.989 -61.62740 32.51903 
1 1 1    9   47    0 o  129.790   10.288   58.733   9.1660   67.026   12.431   48.851   13.569  138.411   13.134  117.376   17.215 21.03578 21.65270 
1 1 1    9   47    1 o  552.753   5.5186  1057.71   21.112  1001.58   28.779  1123.12   31.067  537.792   7.7318  569.481   7.8822 -31.68823 11.04130 
1 1 1    9   47    2 o  635.998   5.8219  1400.37   25.627  1393.13   36.229  1407.63   36.255  634.215   8.2536  637.508   8.2168 -3.293091 11.64638 
1 1 1    9   47    3 o  860.157   6.7600  2561.97   40.244  2493.19   55.367  2639.01   58.597  848.281   9.4305  872.705   9.7014 -24.42419 13.52962 
1 1 1    9   47    4 o  529.511   5.3820  970.712   19.724  965.096   27.404  976.750   28.412  527.867   7.5009  531.030   7.7304 -3.163208 10.77132 
1 1 1    9   47    5 o  255.339   6.8173  225.808   12.048  229.463   13.981  215.268   23.742  257.363   7.8493  248.607   13.854 8.756149 15.92279 
1 1 1    9   47    6 o  443.974   6.0700  682.646   18.652  689.891   22.130  664.878   34.656  446.257   7.1651  437.732   11.439 8.525360 13.49788 
1 1 1    9   47    7 o  463.636   6.1523  744.570   19.742  734.146   36.083  749.024   23.585  459.868   11.337  464.931   7.3295 -5.062439 13.49982 
1 1 1    9   47    8 o  304.023   6.2276  320.219   13.104  287.756   24.847  332.727   15.423  287.715   12.478  309.846   7.1920 -22.13092 14.40210 
1 1 1    9   47    9 f  428.053   5.7049  634.786   16.901   0.0000   0.0000  634.786   16.901  ?   ?   428.053   5.7049 0.000000 5.704860 
1 1 1    9   47   10 o   26.539   12.377  -5.3012   5.5788   15.127   16.526  -7.9287   5.9267   71.344   25.909   25.368   12.105 45.97645 28.59742 
1 1 1    9   47   11 o  175.605   4.9941  106.843   6.0698   98.927   17.996  107.859   6.4476  167.365   15.720  176.426   5.2803 -9.060272 16.58280 
1 1 1    9   47   12 f  179.162   10.645  112.198   13.140  127.317   19.109   98.634   18.099  190.089   14.637  166.893   15.860 23.19566 21.58175 
1 1 1    9   47   13 o  149.573   11.800   78.642   12.117   76.098   17.246   81.122   17.027  145.783   17.439  150.813   16.587 -5.029465 24.06708 
1 1 1    9   47   14 o   68.145   22.594   16.130   12.426  -7.8488   17.283   41.790   17.879   50.946   23.013  105.211   24.934 -54.26467 33.93103 
1 1 1    9   47   15 o  134.728   20.928   66.927   18.882   0.0000   0.0000   66.927   18.882  ?   ?   134.728   20.928 0.000000 20.92813 
1 1 1    9   47   16 o   92.051   21.092   32.110   13.149   24.176   18.645   39.961   18.547   81.255   27.682  101.200   26.255 -19.94524 38.15246 
1 1 1    9   49    0 o  244.001   6.3338  206.159   10.696  214.434   14.776  197.050   15.503  248.785   8.5816  238.460   9.3937 10.32437 12.72340 
1 1 1    9   49    1 o  305.950   5.7247  324.097   12.122  328.210   16.770  319.596   17.543  307.814   7.8715  303.729   8.3453 4.084442 11.47188 
1 1 1    9   49    2 o  823.205   7.5910  2347.37   43.250  2220.98   70.472  2423.74   54.779  800.041   12.727  836.266   9.4645 -36.22577 15.86039 
1 1 1    9   49    3 o  356.422   6.3979  439.944   15.783  437.220   27.744  441.247   19.190  355.039   11.291  356.887   7.7692 -1.847626 13.70536 
1 1 1    9   49    4 o  210.398   6.5818  153.322   9.5844  150.034   13.104  157.105   14.055  208.048   9.1002  212.876   9.5397 -4.828125 13.18404 
1 1 1    9   49    5 o  650.345   5.7905  1464.75   26.064  1435.52   35.958  1497.11   37.833  643.592   8.0725  657.225   8.3172 -13.63336 11.59059 
1 1 1    9   49    6 o  325.771   7.2510  367.756   16.349  367.756   16.349   0.0000   0.0000  325.771   7.2510  ?   ?  0.000000 7.250959 
1 1 1    9   49    7 o  323.005   5.6747  361.393   12.686  340.927   27.629  366.860   14.281  313.123   12.749  325.401   6.3409 -12.27771 14.23875 
1 1 1    9   49    8 o  499.328   6.1669  863.942   21.312  876.097   39.432  858.926   25.331  502.048   11.348  497.739   7.3531 4.308807 13.52222 
1 1 1    9   49    9 o  334.194   5.1303  386.903   11.866  370.390   25.518  391.459   13.404  326.324   11.298  336.110   5.7620 -9.785889 12.68287 
1 1 1    9   49   10 o  121.911   11.371   52.185   9.4840   30.171   17.570   61.236   11.266   90.881   26.380  131.967   12.483 -41.08592 29.18437 
1 1 1    9   49   11 f  194.269   5.5932  130.830   7.5204  122.585   19.371  132.293   8.1604  186.440   15.143  195.325   6.0364 -8.885193 16.30144 
1 1 1    9   49   12 o   90.880   25.742   30.659   16.927   30.659   16.927   0.0000   0.0000   90.880   25.742  ?   ?  0.000000 25.74151 
1 1 1    9   49   13 o   72.148   21.644   18.927   11.668   39.346   17.597   2.9044   15.588  102.209   25.066   56.555   23.692 45.65338 34.49078 
1 1 1    9   49   14 o  266.591   12.880  249.756   23.765   0.0000   0.0000  249.756   23.765  ?   ?   266.591   12.880 0.000000 12.88024 
1 1 1    9   49   15 o  170.083   12.141  102.296   14.198  102.000   21.181  102.537   19.132  167.482   18.586  168.745   16.596 -1.262146 24.91742 
1 1 1    9   51    0 o  442.305   6.1836  677.535   18.929  664.519   22.582  708.293   34.714  437.958   7.4501  451.840   11.100 -13.88147 13.36876 
1 1 1    9   51    1 o  235.200   7.3332  191.650   11.937  183.854   18.564  197.146   15.587  229.871   11.707  238.461   9.4444 -8.589737 15.04175 
1 1 1    9   51    2 o  331.858   5.5363  381.365   12.716  361.934   17.322  404.074   18.726  323.190   7.7438  341.477   7.9234 -18.28622 11.07914 
1 1 1    9   51    3 o  449.945   5.3232  701.052   16.577  705.160   23.085  696.678   23.820  451.124   7.3935  448.380   7.6756 2.743347 10.65731 
1 1 1    9   51    4 o  144.212   10.709   72.572   10.612   50.976   18.751   82.749   12.872  118.503   23.690  153.871   12.187 -35.36811 26.64097 
1 1 1    9   51    5 o  667.843   6.7069  1545.39   31.001  1523.82   37.861  1589.27   54.001  662.954   8.2516  676.433   11.534 -13.47943 14.18213 
1 1 1    9   51    6 o  608.172   6.5548  1281.68   27.591  1279.43   33.076  1286.83   50.028  607.460   7.8671  608.467   11.879 -1.006714 14.24825 
1 1 1    9   51    7 o   98.652   14.352   34.617   9.5117   86.244   19.632   18.781   10.873  155.863   18.564   72.262   20.688 83.60162 27.79575 
1 1 1    9   51    8 o  198.580   7.7491  136.794   10.650  132.146   21.448  138.316   12.270  193.749   16.142  199.606   8.8816 -5.856552 18.42380 
1 1 1    9   51    9 o  237.297   5.8983  195.179   9.6872  208.976   21.770  191.773   10.817  244.462   12.913  235.167   6.6460 9.295029 14.52270 
1 1 1    9   51   10 o   73.291   13.637   19.364   6.6627   21.185   16.292   18.998   7.3012   78.323   25.866   72.341   15.072 5.982002 29.93656 
1 1 1    9   51   11 f   66.462   13.341   15.996   5.9236   51.366   16.913   11.050   6.3241  118.454   21.417   55.376   15.751 63.07847 26.58590 
1 1 1    9   51   12 o  181.093   10.868  114.882   13.558  109.415   19.966  119.561   18.469  175.277   16.659  183.866   14.635 -8.588776 22.17424 
1 1 1    9   51   13 o  143.692   12.726   73.006   12.525   56.634   18.162   87.854   17.296  123.695   22.022  156.773   16.172 -33.07858 27.32196 
1 1 1    9   51   14 o  141.979   13.504   71.703   13.110   77.707   18.664   65.854   18.420  146.046   18.908  133.654   20.572 12.39246 27.94181 
1 1 1    9   53    0 o  213.951   7.6305  158.644   11.299  147.561   17.712  166.249   14.672  205.708   12.500  218.918   9.6835 -13.21011 15.81209 
1 1 1    9   53    1 o  461.755   6.1793  738.587   19.748  716.934   23.526  790.244   36.337  454.831   7.4733  477.115   11.004 -22.28369 13.30181 
1 1 1    9   53    2 o  325.032   5.5124  365.894   12.401  366.899   17.183  364.802   17.914  325.356   7.6305  324.402   7.9789 0.9546204 11.04024 
1 1 1    9   53    3 o  315.427   5.5366  344.606   12.087  359.648   16.816  328.528   17.385  322.118   7.5427  307.824   8.1603 14.29407 11.11228 
1 1 1    9   53    4 o  267.935   12.717  249.658   23.583  249.658   23.583   0.0000   0.0000  267.935   12.717  ?   ?  0.000000 12.71723 
1 1 1    9   53    5 o  228.453   6.0885  180.833   9.6268  166.365   13.079  197.938   14.222  218.987   8.6293  238.867   8.6023 -19.87955 12.18458 
1 1 1    9   53    6 o  453.361   5.2184  711.987   16.374  703.872   22.669  720.841   23.677  450.556   7.2695  455.926   7.5033 -5.369781 10.44726 
1 1 1    9   53    7 o   48.677   17.259   7.2027   7.2849   6.0634   10.250   8.3657   10.356   51.736   20.052   55.115   20.428 -3.378895 28.62482 
1 1 1    9   53    8 o  335.882   7.4525  391.426   17.325   0.0000   0.0000  391.426   17.325  ?   ?   335.882   7.4525 0.000000 7.452464 
1 1 1    9   53    9 o  392.016   5.9755  532.825   16.213  551.707   31.345  525.929   18.943  397.904   11.382  389.328   7.0301 8.576294 13.37794 
1 1 1    9   53   10 o  167.605   6.9835   97.505   8.1010   86.829   19.337   99.778   8.9217  155.803   18.280  169.499   7.6050 -13.69595 19.79863 
1 1 1    9   53   11 o  243.986   5.2168  206.407   8.8094  217.854   22.723  204.382   9.5568  249.008   13.232  242.742   5.6884 6.265762 14.40314 
1 1 1    9   53   12 o   65.620   22.355   14.554   12.159   21.888   18.099   8.5220   16.416   79.545   27.273   63.067   25.093 16.47802 37.06016 
1 1 1    9   53   13 o   79.216   25.776   22.771   16.200   0.0000   0.0000   22.771   16.200  ?   ?    79.216   25.776 0.000000 25.77559 
1 1 1    9   53   14 o   47.909   20.862  -1.1286   12.959   1.5239   19.314  -3.3010   17.478   60.068   25.809   53.818   23.802 6.250244 35.10929 
1 1 1    9   55    0 o  294.956   5.7018  301.373   11.640  314.180   16.261  287.915   16.669  301.024   7.8049  288.127   8.3589 12.89749 11.43628 
1 1 1    9   55    1 o  174.655   7.6067  105.756   9.1951  110.514   12.639  100.408   13.402  178.110   10.297  169.599   11.485 8.511429 15.42514 
1 1 1    9   55    2 o  312.098   5.5689  337.419   12.029  349.426   16.809  324.814   17.222  317.460   7.6503  306.038   8.1309 11.42233 11.16413 
1 1 1    9   55    3 o  125.504   11.196   55.172   9.6231   52.984   11.870   59.366   16.436  122.499   14.268  128.852   19.001 -6.353043 23.76149 
1 1 1    9   55    4 o  188.205   7.0142  122.798   9.1366  121.048   12.658  124.700   13.201  186.440   9.8447  189.206   10.117 -2.766602 14.11664 
1 1 1    9   55    5 o  158.229   7.6329   86.840   8.3589   83.693   11.458   90.421   12.222  154.790   10.762  160.882   11.043 -6.091400 15.41971 
1 1 1    9   55    6 o  113.365   10.956   45.116   8.4889   58.390   13.107   35.526   11.141  128.417   15.032   99.396   16.793 29.02127 22.53819 
1 1 1    9   55    7 o  252.992   6.6936  221.973   11.720  227.669   13.543  204.976   23.393  256.134   7.6394  241.831   14.037 14.30310 15.98112 
1 1 1    9   55    8 o  144.041   10.373   72.586   10.272   81.805   20.283   69.407   11.913  150.918   19.904  140.506   12.376 10.41156 23.43801 
1 1 1    9   55    9 o  143.659   8.5397   71.991   8.4527   62.098   19.445   74.295   9.3858  130.287   22.370  145.836   9.3481 -15.54884 24.24467 
1 1 1    9   55   10 o   50.942   17.039   8.6706   7.0633   19.673   17.123   6.4146   7.7537   76.575   26.511   47.831   17.686 28.74434 31.86948 
1 1 1    9   55   11 o   83.048   16.082   25.153   8.9098   38.112   18.546   21.265   10.159  100.323   26.365   75.817   19.308 24.50558 32.67915 
1 1 1    9   55   12 o   59.740   11.522   12.916   4.5914   0.0000   0.0000   12.916   4.5914  ?   ?    59.740   11.522 0.000000 11.52220 
1 1 1    9   55   13 o  102.350   19.651   38.964   13.415   40.654   21.443   37.878   17.195  101.981   29.003   99.277   25.031 2.704346 38.31071 
1 1 1    9   57    0 o  223.661   6.5679  173.393   10.167  180.028   14.125  166.259   14.646  227.741   8.9610  218.805   9.6715 8.936264 13.18479 
1 1 1    9   57    1 o  211.647   6.7292  155.281   9.8572  171.746   13.715  137.691   14.176  222.441   8.9087  198.801   10.339 23.64001 13.64758 
1 1 1    9   57    2 o  163.306   12.349   93.358   13.854   98.146   19.558   88.537   19.627  166.591   17.211  157.907   18.298 8.683258 25.12037 
1 1 1    9   57    3 o  279.242   5.8132  270.214   11.235  279.788   15.502  259.621   16.306  283.982   7.8871  273.489   8.6146 10.49307 11.67978 
1 1 1    9   57    4 o  359.550   5.2780  447.909   13.134  438.553   18.267  457.923   18.898  355.566   7.4229  363.323   7.5153 -7.756805 10.56309 
1 1 1    9   57    5 f  167.683   8.9600   97.943   10.361  100.000   19.876   97.175   12.141  167.961   17.348  166.809   10.571 1.151657 20.31507 
1 1 1    9   57    6 o   48.960   17.358   7.3272   7.3680   5.7864   10.153   9.0415   10.709   51.104   19.915   56.472   20.803 -5.368912 28.79915 
1 1 1    9   57    7 o  284.628   5.4297  280.816   10.696  281.054   14.617  280.542   15.694  284.544   7.4221  284.217   7.9782 0.3274841 10.89673 
1 1 1    9   57    8 o  146.631   8.9355   75.050   9.0249   86.195   19.791   72.125   10.141  155.046   18.830  143.532   10.276 11.51448 21.45121 
1 1 1    9   57    9 o   95.495   14.426   32.706   9.2374   11.190   18.594   39.756   10.644   68.679   26.899  105.339   15.025 -36.66009 30.81104 
1 1 1    9   57   10 o   93.504   14.094   31.389   8.8377   47.990   19.047   26.834   9.9767  112.934   25.026   85.550   17.441 27.38310 30.50404 
1 1 1    9   57   11 o   92.933   11.188   30.653   7.0515   33.566   19.848   30.232   7.5436   94.153   28.226   92.081   12.132 2.071762 30.72281 
1 1 1    9   57   12 o   52.373   14.092   10.028   5.2203   17.034   21.062   9.5696   5.3885   75.795   28.905   51.307   14.520 24.48751 32.34761 
1 1 1    9   59    0 o  465.251   6.3414  750.409   20.420  774.146   36.592  739.675   24.607  471.656   11.209  461.715   7.7004 9.941437 13.59951 
1 1 1    9   59    1 o  160.049   8.1831   89.143   9.0342   97.905   12.605   79.888   12.954  167.399   10.940  150.900   12.517 16.49931 16.62396 
1 1 1    9   59    2 o  138.268   12.101   67.105   11.464   67.105   11.464   0.0000   0.0000  138.268   12.101  ?   ?  0.000000 12.10082 
1 1 1    9   59    3 o  323.530   5.4989  362.750   12.313  367.766   17.139  357.399   17.701  325.543   7.6068  320.878   7.9705 4.664734 11.01783 
1 1 1    9   59    4 o  215.512   6.3811  161.061   9.5180  164.291   13.355  157.726   13.569  217.453   8.8736  213.032   9.2026 4.420761 12.78396 
1 1 1    9   59    5 o   71.470   15.812   18.604   7.6142   20.225   10.573   16.858   10.975   74.380   20.073   68.818   21.067 5.561745 29.09876 
1 1 1    9   59    6 o   50.942   17.502   8.3780   7.4557   4.5020   10.127   12.965   11.017   49.288   19.678   62.566   21.278 -13.27817 28.98266 
1 1 1    9   59    7 o  129.938   8.7316   58.979   7.8069   62.460   10.576   54.811   11.573  133.276   11.580  124.377   13.669 8.899803 17.91505 
1 1 1    9   59    8 o  233.842   7.8484  190.072   12.702  190.072   12.702   0.0000   0.0000  233.842   7.8484  ?   ?  0.000000 7.848433 
1 1 1    9   59    9 o  111.927   11.479   44.258   8.7665   64.146   18.941   38.836   9.8895  132.215   21.433  104.209   14.072 28.00616 25.63912 
1 1 1    9   59   10 o   79.771   16.533   23.361   8.8282   0.0000   0.0000   23.361   8.8282  ?   ?    79.771   16.533 0.000000 16.53321 
1 1 1    9   59   11 o   65.481   16.317   15.846   7.3682  -9.7756   20.796   19.524   7.8794   54.994   25.001   72.757   16.076 -17.76236 29.72369 
1 1 1    9   61    0 o  179.784   7.7046  112.202   9.5869  123.631   13.249   99.639   13.890  188.226   10.208  168.635   11.979 19.59132 15.73834 
1 1 1    9   61    1 o   41.170   17.787  -0.9291   9.2722  -3.6986   11.499   4.2185   15.677   43.417   19.249   58.340   24.039 -14.92304 30.79599 
1 1 1    9   61    2 o  120.232   10.279   50.673   8.4715   50.665   11.475   50.682   12.559  119.546   14.143  119.265   15.588 0.2810364 21.04790 
1 1 1    9   61    3 f  152.876   9.6614   81.622   10.170   71.243   11.685  114.049   20.653  142.417   11.965  179.360   16.834 -36.94263 20.65343 
1 1 1    9   61    4 o  197.876   7.5359  135.955   10.321  144.049   16.306  130.546   13.331  202.877   11.662  193.398   9.9935 9.478867 15.35775 
1 1 1    9   61    5 o  128.818   9.3135   58.037   8.2476   62.906   11.577   53.019   11.753  133.563   12.675  122.216   14.157 11.34718 19.00200 
1 1 1    9   61    6 o   56.279   19.556   10.193   9.3217   4.0185   16.928   12.880   11.168   59.772   24.834   62.449   21.422 -2.677593 32.79700 
1 1 1    9   61    7 o  146.875   8.2881   75.272   8.3908   78.412   11.341   71.475   12.472  149.449   11.043  142.290   12.801 7.159073 16.90613 
1 1 1    9   61    8 o   80.849   13.726   23.581   7.4059   40.149   10.128   4.5455   10.856  105.944   14.168   50.406   20.286 55.53811 24.74351 
1 1 1    9   61    9 o  170.161   8.0220  100.801   9.4476  100.976   21.157  100.757   10.559  167.219   18.595  169.757   9.0193 -2.538651 20.66714 
1 1 1    9   61   10 o   89.565   15.071   29.154   9.0108   0.0000   0.0000   29.154   9.0108  ?   ?    89.565   15.071 0.000000 15.07122 
1 1 1    9   63    0 o  233.238   7.4269  188.893   11.989  186.405   14.621  194.000   20.947  231.497   9.1251  235.223   12.916 -3.725327 15.81452 
1 1 1    9   63    1 o  125.310   10.180   55.043   8.7523   76.340   12.138   31.977   12.632  147.393   12.003   93.249   20.160 54.14401 23.46281 
1 1 1    9   63    2 o  182.442   7.4220  115.588   9.3718  117.128   12.892  113.862   13.648  183.089   10.214  180.374   10.985 2.714890 14.99987 
1 1 1    9   63    3 o  156.435   8.8151   85.386   9.5053  101.659   14.887   74.188   12.350  170.026   12.744  145.168   12.412 24.85779 17.78906 
1 1 1    9   63    4 o  148.992   9.9266   77.680   10.178   86.914   11.949   53.268   19.427  157.441   11.035  119.689   24.282 37.75201 26.67184 
1 1 1    9   63    5 o  107.924   11.305   41.118   8.3191   62.564   11.825   20.102   11.706  133.022   13.011   74.132   21.536 58.89020 25.16100 
1 1 1    9   63    6 o  177.993   7.2642  110.094   8.9488  112.787   12.486  107.251   12.832  179.533   10.090  174.947   10.648 4.586243 14.66920 
1 1 1    9   63    7 o   94.515   12.361   31.831   7.8922   38.508   10.867   24.377   11.481  103.301   15.693   80.941   20.479 22.35997 25.80000 
1 1 1    9   63    8 o   99.666   11.427   35.243   7.7399   31.928   10.689   38.897   11.222   93.376   17.173  103.582   16.182 -10.20542 23.59611 
1 1 1    9   63    9 o  133.326   14.553   63.630   13.211   0.0000   0.0000   63.630   13.211  ?   ?   133.326   14.553 0.000000 14.55297 
1 1 1    9   65    0 o  129.428   11.470   58.961   10.168   56.149   11.983   66.195   19.219  125.755   14.005  134.642   21.335 -8.887146 25.52095 
1 1 1    9   65    1 o   74.726   16.611   20.455   8.3681   12.019   11.363   30.452   12.370   61.313   21.575   90.785   20.207 -29.47259 29.55993 
1 1 1    9   65    2 o   66.632   21.817   15.418   11.600   0.0000   0.0000   15.418   11.600  ?   ?    66.632   21.817 0.000000 21.81709 
1 1 1    9   65    3 f   35.339   15.713  -2.7030   7.7159   6.1525   10.657 -12.4586   11.186   52.159   20.382   36.056   17.037 16.10365 26.56505 
1 1 1    9   65    4 o   58.042   17.987   11.951   7.9722  -5.8722   10.980   31.822   11.594   40.247   18.247   93.058   18.651 -52.81062 26.09191 
1 1 1    9   65    5 o   62.915   17.500   14.475   7.8980   30.403   11.159  -1.5096   11.179   90.907   18.368   44.467   19.370 46.44022 26.69423 
1 1 1    9   65    6 o   66.348   18.666   16.169   8.9317   23.240   11.580   5.7854   14.033   78.961   20.873   56.785   22.989 22.17573 31.05139 
1 1 1    9   65    7 o  109.652   10.954   42.518   8.2016   41.701   11.414   43.391   11.793  107.353   15.837  109.491   16.038 -2.137878 22.53970 
1 1 1    9   65    8 f  106.590   16.388   41.369   11.702   0.0000   0.0000   41.369   11.702  ?   ?   106.590   16.388 0.000000 16.38774 
1 1 1    9   67    0 o   51.711   18.622   8.1247   8.5118   3.5625   11.374   13.933   12.833   50.155   20.548   65.338   22.932 -15.18357 30.79152 
1 1 1    9   67    1 o   83.049   15.072   25.035   8.3440   38.235   11.856   12.078   11.746  102.524   17.325   61.643   21.909 40.88092 27.93146 
1 1 1    9   67    2 f  100.375   12.207   35.810   8.3058   53.639   11.948   19.140   11.554  122.629   14.349   72.327   21.502 50.30190 25.85020 
1 1 1    9   67    3 o  138.945   9.2474   67.609   8.8421   77.468   12.648   58.184   12.366  148.096   12.455  127.773   14.225 20.32282 18.90711 
1 1 1    9   67    4 o  144.852   8.9253   73.425   8.9044   88.348   12.939   59.998   12.273  158.301   11.896  129.804   13.876 28.49719 18.27767 
1 1 1    9   67    5 o   86.059   20.416   27.712   11.977   27.712   11.977   0.0000   0.0000   86.059   20.416  ?   ?  0.000000 20.41555 
1 1 1    9   67    6 o  129.151   9.6362   58.625   8.5515   62.450   12.200   54.931   11.990  132.369   13.506  123.854   14.247 8.514519 19.63119 
1 1 1    9   69    0 o  157.088   12.185   87.147   13.144   95.268   17.188   75.707   20.398  163.345   15.385  143.426   21.187 19.91965 26.18332 
1 1 1    9   69    1 o   80.167   16.041   23.571   8.5898   30.036   11.994   16.761   12.308   89.781   19.831   68.739   22.472 21.04206 29.97054 
1 1 1    9   69    2 o  154.705   8.6170   83.708   9.1899   95.254   12.755   71.244   13.252  164.468   11.273  141.503   13.703 22.96548 17.74457 
1 1 1    9   69    3 o  110.662   13.822   43.869   10.355   52.341   19.052   40.316   12.337  117.484   24.236  104.924   17.612 12.56022 29.95924 
1 1 1   10    0    0 o  1639.74   15.809  9309.12  179.374  9309.12  179.374  9309.12  179.374  1639.74   15.809  1639.74   15.809 0.000000 0.000000 
1 1 1   10    0    1 o  2284.22   21.612 18068.14  341.598 18068.14  341.598 18068.14  341.598  2284.22   21.612  2284.22   21.612 0.000000 0.000000 
1 1 1   10    0    2 o  1310.93   12.906  5949.81  117.071  5949.81  117.071  5949.81  117.071  1310.93   12.906  1310.93   12.906 0.000000 0.000000 
1 1 1   10    0    3 o  1090.93   11.041  4120.35   83.349  4120.35   83.349  4120.35   83.349  1090.93   11.041  1090.93   11.041 0.000000 0.000000 
1 1 1   10    0    4 o  140.533   11.236   69.659   10.768   69.659   10.768   69.659   10.768  140.533   11.236  140.533   11.236 0.000000 0.000000 
1 1 1   10    0    5 o  532.107   6.8480  980.416   25.210  980.416   25.210  980.416   25.210  532.107   6.8480  532.107   6.8480 0.000000 0.000000 
1 1 1   10    0    6 o  868.308   9.2600  2610.90   55.635  2610.90   55.635  2610.90   55.635  868.308   9.2600  868.308   9.2600 0.000000 0.000000 
1 1 1   10    0    7 o  449.930   6.5968  701.135   20.532  701.135   20.532  701.135   20.532  449.930   6.5968  449.930   6.5968 0.000000 0.000000 
1 1 1   10    0    8 o  1336.30   13.201  6185.15  122.063  6185.15  122.063  6185.15  122.063  1336.30   13.201  1336.30   13.201 0.000000 0.000000 
1 1 1   10    0    9 o  478.127   6.9067  791.712   22.845  791.712   22.845  791.712   22.845  478.127   6.9067  478.127   6.9067 0.000000 0.000000 
1 1 1   10    0   10 o  342.827   9.9264  407.854   23.508  407.854   23.508  407.854   23.508  342.827   9.9264  342.827   9.9264 0.000000 0.000000 
1 1 1   10    0   11 o  335.694   7.0561  390.553   16.378  390.553   16.378  390.553   16.378  335.694   7.0561  335.694   7.0561 0.000000 0.000000 
1 1 1   10    0   12 o  154.328   11.188   83.760   11.805   83.760   11.805   83.760   11.805  154.328   11.188  154.328   11.188 0.000000 0.000000 
1 1 1   10    0   13 o  782.228   12.681  2121.46   68.614  2121.46   68.614  2121.46   68.614  782.228   12.681  782.228   12.681 0.000000 0.000000 
1 1 1   10    0   14 o  583.450   7.8394  1179.42   31.644  1179.42   31.644  1179.42   31.644  583.450   7.8394  583.450   7.8394 0.000000 0.000000 
1 1 1   10    0   15 f  405.390   7.3604  569.834   20.636  569.834   20.636  569.834   20.636  405.390   7.3604  405.390   7.3604 0.000000 0.000000 
1 1 1   10    0   16 f  1029.71   10.864  3684.12   77.409  3684.12   77.409  3684.12   77.409  1029.71   10.864  1029.71   10.864 0.000000 0.000000 
1 1 1   10    0   17 o  773.825   12.723  2090.73   68.100  2090.73   68.100  2090.73   68.100  773.825   12.723  773.825   12.723 0.000000 0.000000 
1 1 1   10    0   18 o  313.959   7.7190  343.304   16.750  343.304   16.750  343.304   16.750  313.959   7.7190  313.959   7.7190 0.000000 0.000000 
1 1 1   10    0   19 o   27.234   18.614  -6.0204   11.023  -6.0204   11.023  -6.0204   11.023   27.234   18.614   27.234   18.614 0.000000 0.000000 
1 1 1   10    0   20 o   59.523   26.339   19.357   11.429   19.357   11.429   19.357   11.429   59.523   26.339   59.523   26.339 0.000000 0.000000 
1 1 1   10    0   21 o  142.922   12.670   75.397   12.306   75.397   12.306   75.397   12.306  142.922   12.670  142.922   12.670 0.000000 0.000000 
1 1 1   10    2    0 o  427.218   4.4129  631.632   13.048  634.731   18.515  628.574   18.391  428.256   6.2467  426.174   6.2351 2.082153 8.825920 
1 1 1   10    2    1 o  1340.98   9.3086  6224.03   86.393  6181.01  121.331  6268.27  123.045  1336.21   13.120  1345.61   13.212 -9.396240 18.61931 
1 1 1   10    2    2 o  604.779   5.8723  1265.83   24.580  1275.12   42.752  1261.24   30.042  606.946   10.177  603.670   7.1904 3.275208 12.46097 
1 1 1   10    2    3 f  375.495   4.8953  487.958   12.722  481.659   21.781  491.220   15.674  373.040   8.4360  376.741   6.0111 -3.701843 10.35853 
1 1 1   10    2    4 o  698.456   5.5830  1688.39   26.989  1748.77   39.268  1634.33   37.155  710.795   7.9821  687.148   7.8126 23.64685 11.16918 
1 1 1   10    2    5 o  575.378   7.1151  1145.98   28.334  1170.24   40.821  1123.42   39.360  581.355   10.145  569.609   9.9839 11.74554 14.23399 
1 1 1   10    2    6 o  292.155   5.0981  295.443   10.309  295.383   12.636  295.561   17.826  292.109   6.2501  292.148   8.8158 -0.3842163E-01 10.80658 
1 1 1   10    2    7 o  661.073   5.4944  1512.75   25.139  1478.32   34.970  1549.57   36.164  653.417   7.7326  668.974   7.8108 -15.55725 10.99096 
1 1 1   10    2    8 o  257.553   4.6904  229.586   8.3610  219.998   11.767  239.363   11.882  252.097   6.7441  262.961   6.5287 -10.86360 9.386533 
1 1 1   10    2    9 o  427.198   5.5321  631.653   16.357  641.182   20.137  613.171   28.044  430.391   6.7600  420.831   9.6284 9.559967 11.76454 
1 1 1   10    2   10 o  1274.99   8.9942  5627.65   79.368  5658.41  112.857  5597.54  111.640  1278.22   12.757  1271.33   12.688 6.887939 17.99215 
1 1 1   10    2   11 o  516.310   5.1570  922.631   18.428  918.419   26.027  926.865   26.096  515.094   7.3006  517.457   7.2866 -2.363220 10.31470 
1 1 1   10    2   12 o  716.600   6.8650  1777.63   34.048  1770.73   58.428  1781.18   41.897  714.982   11.807  717.255   8.4398 -2.273743 14.51342 
1 1 1   10    2   13 f  699.900   5.9312  1695.74   28.731  1678.36   40.356  1713.60   40.914  696.192   8.3753  703.464   8.4034 -7.271118 11.86434 
1 1 1   10    2   14 o  320.853   5.6031  356.394   12.443  359.683   17.612  353.116   17.581  322.267   7.8961  319.310   7.9553 2.957336 11.20875 
1 1 1   10    2   15 o  356.434   5.2813  439.890   13.029  459.972   18.660  420.788   18.199  364.384   7.3991  348.510   7.5449 15.87360 10.56744 
1 1 1   10    2   16 o  408.851   5.9916  579.093   16.955  588.501   20.997  561.463   28.742  412.045   7.3626  402.150   10.326 9.894928 12.68232 
1 1 1   10    2   17 o  446.376   5.2185  690.320   16.122  695.054   22.946  685.704   22.657  447.642   7.4064  444.627   7.3626 3.015167 10.44328 
1 1 1   10    2   18 o  197.742   6.8535  135.680   9.3797  130.942   13.231  140.467   13.300  193.727   9.9006  200.944   9.5629 -7.217178 13.76482 
1 1 1   10    2   19 o   36.111   15.945  -2.2146   7.8119   3.3754   11.397  -7.1680   10.729   50.057   20.546   38.687   17.728 11.36957 27.13711 
1 1 1   10    2   20 o   43.869   18.385   1.5334   9.3928   3.1957   11.522  -1.7595   16.217   49.822   20.577   53.281   23.266 -3.459034 31.05969 
1 1 1   10    2   21 o  141.739   8.8128   70.499   8.6025   74.816   12.194   66.221   12.138  145.115   12.255  136.230   13.033 8.884842 17.88970 
1 1 1   10    4    0 o  491.067   5.3554  834.556   18.201  867.805   32.405  819.232   22.000  500.722   9.3506  486.530   6.5333 14.19147 11.40690 
1 1 1   10    4    1 o  529.723   5.4961  971.122   20.150  942.439   34.226  986.339   24.929  521.807   9.4768  533.848   6.7470 -12.04102 11.63323 
1 1 1   10    4    2 o  1739.12   13.626 10471.24  164.007 10356.10  280.640 10530.96  202.112  1728.78   23.455  1743.88   16.746 -15.09387 28.81914 
1 1 1   10    4    3 o  299.512   4.1760  310.453   8.6567  301.845   12.159  319.299   12.327  295.323   5.9489  303.742   5.8638 -8.418945 8.353056 
1 1 1   10    4    4 o  540.751   4.8438  1012.00   18.128  999.717   25.425  1024.69   25.855  537.437   6.8352  544.109   6.8657 -6.672058 9.688015 
1 1 1   10    4    5 o  1114.82   9.1932  4303.05   70.933  4326.22   87.308  4258.05  121.663  1117.68   11.287  1108.43   15.859 9.249756 19.46514 
1 1 1   10    4    6 o  787.914   7.0526  2149.31   38.460  2178.80   47.572  2093.66   65.345  793.212   8.6654  777.306   12.146 15.90601 14.92051 
1 1 1   10    4    7 o  557.998   5.0188  1077.73   19.383  1054.92   26.961  1102.14   27.884  551.999   7.0571  564.214   7.1406 -12.21564 10.03947 
1 1 1   10    4    8 o  1809.25   14.192 11343.14  177.712 11368.78  218.233 11292.68  306.180  1810.67   17.414  1802.78   24.539 7.888306 30.09020 
1 1 1   10    4    9 o  289.139   4.8900  289.346   9.7857  283.336   13.688  295.628   13.995  286.102   6.9125  292.243   6.9193 -6.140106 9.780602 
1 1 1   10    4   10 o  1653.04   11.325  9461.97  129.573  9604.58  186.225  9328.14  180.401  1664.93   16.161  1640.83   15.885 24.10083 22.66101 
1 1 1   10    4   11 o  770.779   7.1779  2056.48   38.291  2044.88   66.499  2062.23   46.835  768.389   12.504  771.804   8.7678 -3.415100 15.27184 
1 1 1   10    4   12 f  163.811   7.5161   92.898   8.5214  110.183   12.417   77.510   11.716  178.086   10.116  149.155   11.436 28.93095 15.26810 
1 1 1   10    4   13 o  742.344   6.1233  1907.69   31.461  1904.86   44.482  1910.53   44.503  741.664   8.6656  742.767   8.6569 -1.103394 12.24882 
1 1 1   10    4   14 o  217.427   6.7372  163.691   10.138  165.236   14.690  162.286   14.010  218.382   9.7189  216.434   9.3527 1.948288 13.48818 
1 1 1   10    4   15 o  641.088   5.7339  1423.20   25.442  1398.96   35.461  1448.91   36.522  635.401   8.0636  646.634   8.1605 -11.23297 11.47242 
1 1 1   10    4   16 f  301.573   5.5387  315.021   11.561  319.872   16.453  310.292   16.247  303.744   7.8266  299.159   7.8466 4.584351 11.08263 
1 1 1   10    4   17 o  249.120   5.9474  215.090   10.254  214.684   14.547  215.492   14.457  248.692   8.4516  249.166   8.3833 -0.4734955 11.90418 
1 1 1   10    4   18 o  332.523   7.5845  383.915   17.455   0.0000   0.0000  383.915   17.455  ?   ?   332.523   7.5845 0.000000 7.584489 
1 1 1   10    4   19 o  234.639   6.1396  191.076   9.9705  184.210   14.203  197.746   14.000  230.016   8.9218  238.386   8.4853 -8.370377 12.31250 
1 1 1   10    4   20 o   52.601   18.021   9.1684   7.9028   6.3701   11.529   11.649   10.854   53.538   21.115   59.856   21.084 -6.317402 29.83898 
1 1 1   10    4   21 o  162.785   9.1897   93.018   10.311   97.691   12.492   83.024   18.267  166.362   10.909  150.810   17.847 15.55261 20.91754 
1 1 1   10    6    0 o  883.980   7.6204  2704.51   46.623  2644.88   79.233  2736.09   57.662  874.068   13.097  889.097   9.3705 -15.02856 16.10425 
1 1 1   10    6    1 o  1372.72   10.978  6522.80  104.299  6404.88  177.189  6585.32  129.020  1359.89   18.826  1379.19   13.516 -19.29846 23.17553 
1 1 1   10    6    2 o  991.205   7.2059  3400.41   49.434  3341.53   68.736  3463.49   71.148  982.524   10.108  1000.29   10.277 -17.76465 14.41474 
1 1 1   10    6    3 o  539.710   4.8162  1008.09   17.991  1016.81   25.587  999.560   25.300  542.021   6.8208  537.404   6.8021 4.616516 9.632813 
1 1 1   10    6    4 o  383.994   4.3663  510.306   11.604  502.966   16.356  517.745   16.466  381.208   6.1993  386.768   6.1512 -5.560699 8.733210 
1 1 1   10    6    5 o  463.446   4.5893  743.369   14.720  765.818   21.126  722.187   20.522  470.360   6.4896  456.764   6.4916 13.59549 9.179131 
1 1 1   10    6    6 o  1164.38   8.2661  4694.73   66.615  4691.58   94.118  4697.89   94.298  1163.61   11.687  1164.39   11.701 -0.7795410 16.53756 
1 1 1   10    6    7 o  475.899   6.6335  784.049   21.849  784.049   21.849   0.0000   0.0000  475.899   6.6335  ?   ?  0.000000 6.633530 
1 1 1   10    6    8 f  680.255   6.4436  1601.80   30.337  1634.15   52.902  1585.95   37.031  686.904   11.128  676.836   7.9051 10.06873 13.64970 
1 1 1   10    6    9 o  460.357   4.8446  733.483   15.436  756.529   22.286  712.235   21.399  467.504   6.8878  453.612   6.8161 13.89120 9.690234 
1 1 1   10    6   10 o  588.788   5.3261  1199.84   21.704  1216.00   31.034  1184.37   30.366  592.700   7.5653  584.941   7.5007 7.759033 10.65340 
1 1 1   10    6   11 o  1352.53   9.4917  6333.58   88.852  6484.68  128.884  6196.73  122.657  1368.22   13.610  1337.53   13.250 30.68848 18.99475 
1 1 1   10    6   12 o  721.764   6.9287  1803.38   34.612  1942.93   64.414  1746.73   41.039  748.886   12.428  710.283   8.3482 38.60345 14.97129 
1 1 1   10    6   13 o  355.763   5.2916  438.110   13.029  437.951   18.848  438.256   18.032  355.647   7.6572  355.779   7.3228 -0.1321411 10.59508 
1 1 1   10    6   14 o  447.737   5.2098  693.981   16.145  706.103   23.094  682.394   22.578  451.549   7.3895  443.906   7.3490 7.643646 10.42169 
1 1 1   10    6   15 o  251.669   7.0784  219.409   12.329  222.004   14.934  213.854   21.851  253.094   8.5254  247.848   12.782 5.246170 15.36388 
1 1 1   10    6   16 o  347.712   5.3398  418.767   12.851  431.294   18.534  407.171   17.833  352.713   7.5924  342.714   7.5181 9.999756 10.68489 
1 1 1   10    6   17 o  147.930   8.6271   76.231   8.7945   63.905   12.712   87.545   12.179  134.639   13.839  158.232   11.193 -23.59254 17.79927 
1 1 1   10    6   18 o  128.052   9.4021   57.341   8.2745   49.443   11.823   64.923   11.585  117.882   14.818  135.796   12.465 -17.91352 19.36382 
1 1 1   10    6   19 o  254.093   6.8592  224.244   12.063  209.707   21.512  230.912   14.569  244.301   12.767  257.646   8.1699 -13.34448 15.15721 
1 1 1   10    6   20 o  136.540   9.0329   65.330   8.4879   63.372   12.184   67.176   11.831  133.484   13.368  137.682   12.554 -4.198151 18.33852 
1 1 1   10    6   21 o   73.653   17.977   20.332   9.0833   24.146   11.379   13.634   15.079   79.810   20.494   66.153   24.625 13.65768 32.03726 
1 1 1   10    8    0 o  544.330   4.8910  1025.41   18.426  950.694   24.751  1118.30   27.599  524.110   6.8232  568.434   7.0150 -44.32361 9.786080 
1 1 1   10    8    1 o  432.316   4.4262  646.801   13.244  624.067   18.411  671.180   19.065  424.640   6.2643  440.377   6.2551 -15.73734 8.852584 
1 1 1   10    8    2 o  1492.26   10.257  7708.34  105.933  7508.39  145.599  7933.22  154.414  1472.58   14.286  1513.64   14.740 -41.05969 20.52654 
1 1 1   10    8    3 o  869.660   6.5184  2617.62   39.235  2592.87   54.993  2643.28   55.993  865.479   9.1807  873.851   9.2580 -8.371887 13.03824 
1 1 1   10    8    4 o  920.701   7.8811  2934.33   50.221  2949.31   61.688  2904.88   86.481  922.982   9.6567  915.806   13.644 7.175598 16.71558 
1 1 1   10    8    5 o  644.980   5.3516  1439.90   23.890  1461.52   34.186  1419.25   33.398  649.737   7.6020  640.274   7.5367 9.462891 10.70478 
1 1 1   10    8    6 o  1218.38   8.5972  5140.69   72.496  5102.46  101.711  5180.18  103.359  1213.42   12.111  1222.61   12.215 -9.191650 17.20107 
1 1 1   10    8    7 o  784.897   6.1127  2132.59   33.206  2135.98   46.946  2129.20   46.976  785.399   8.6363  784.151   8.6556 1.248169 12.22724 
1 1 1   10    8    8 o  1223.47   9.9968  5183.31   84.651  5189.60  103.669  5170.73  146.637  1224.02   12.237  1221.21   17.349 2.806885 21.23061 
1 1 1   10    8    9 o  337.132   4.7555  393.367   11.096  415.842   16.105  373.055   15.310  346.610   6.7133  328.294   6.7381 18.31589 9.511637 
1 1 1   10    8   10 o  1315.06   10.648  5987.86   96.912  6160.98  172.432  5907.94  117.168  1333.19   18.687  1306.08   12.962 27.10254 22.74257 
1 1 1   10    8   11 o  1224.68   8.7080  5192.50   73.811  5225.53  105.187  5160.45  103.601  1228.31   12.373  1220.65   12.263 7.664185 17.42045 
1 1 1   10    8   12 o  439.633   5.0845  668.976   15.471  673.306   22.261  664.931   21.516  441.010   7.2933  438.263   7.0934 2.746918 10.17388 
1 1 1   10    8   13 o  246.249   6.8981  209.940   11.757  205.610   21.577  211.769   14.021  243.218   12.864  247.296   8.1917 -4.077103 15.25043 
1 1 1   10    8   14 o  646.962   6.6246  1449.32   29.663  1458.26   36.785  1432.68   50.159  648.854   8.1911  642.876   11.273 5.977417 13.93476 
1 1 1   10    8   15 o  246.820   6.0460  210.983   10.328  212.721   14.939  209.392   14.294  247.730   8.7131  245.798   8.4026 1.932114 12.10462 
1 1 1   10    8   16 o  267.695   6.8638  248.362   12.717  250.691   15.523  243.610   22.176  268.850   8.3423  264.700   12.105 4.150757 14.70091 
1 1 1   10    8   17 o  133.881   9.1102   62.543   8.3914   64.690   12.200   60.614   11.560  135.577   13.168  131.244   12.893 4.333282 18.42873 
1 1 1   10    8   18 o  284.573   5.6079  280.770   11.045  277.655   15.670  283.847   15.571  282.713   8.0082  285.867   7.8700 -3.153687 11.22801 
1 1 1   10    8   19 o  258.241   5.8716  231.411   10.494  240.679   15.181  222.928   14.524  262.997   8.3399  253.121   8.2903 9.875854 11.75940 
1 1 1   10    8   20 o   42.939   18.748  -1.5360   10.527  -4.7195   15.920   0.9376   14.033   50.499   22.504   51.871   22.135 -1.371502 31.56602 
1 1 1   10    8   21 o   79.313   15.411   23.181   8.1550   15.328   11.509   31.099   11.557   65.483   21.746   91.060   18.953 -25.57635 28.84653 
1 1 1   10   10    0 o  2344.59   18.101 19039.54  293.733 19164.44  362.302 18800.00  501.760  2351.74   22.259  2327.81   31.144 23.92822 38.28043 
1 1 1   10   10    1 o  724.415   5.7397  1816.19   28.778  1774.53   39.991  1860.93   41.443  716.027   8.0696  733.249   8.1663 -17.22119 11.48074 
1 1 1   10   10    2 o  1092.87   7.8202  4133.92   59.151  4044.68   81.870  4231.38   85.555  1080.91   10.944  1105.56   11.181 -24.65613 15.64540 
1 1 1   10   10    3 o  571.245   5.0040  1129.36   19.784  1088.97   27.291  1174.11   28.722  560.909   7.0299  582.423   7.1253 -21.51398 10.00946 
1 1 1   10   10    4 o  915.468   6.7935  2900.98   43.044  2878.99   60.408  2923.66   61.349  911.876   9.5715  918.919   9.6462 -7.043335 13.58906 
1 1 1   10   10    5 f  674.842   5.5105  1576.38   25.738  1566.87   36.204  1586.09   36.596  672.720   7.7758  676.831   7.8122 -4.111206 11.02246 
1 1 1   10   10    6 o  655.567   6.2470  1487.80   28.344  1479.95   34.746  1503.42   49.004  653.773   7.6790  658.755   10.748 -4.982971 13.20937 
1 1 1   10   10    7 o  1343.34   9.3705  6248.95   87.122  6219.04  122.560  6279.51  123.869  1339.68   13.218  1346.16   13.295 -6.487061 18.74767 
1 1 1   10   10    8 o  125.251   7.0534   54.478   6.0895   55.999   8.5470   52.909   8.6784  126.792   9.8161  123.183   10.273 3.608894 14.20870 
1 1 1   10   10    9 o  1884.37   18.079 12307.82  235.789 12751.22  345.660 11921.95  322.460  1916.34   26.062  1853.19   25.141 63.14551 36.21135 
1 1 1   10   10   10 o  403.555   4.8285  563.640   13.486  581.428   19.623  547.715   18.566  409.850   6.9176  397.792   6.7436 12.05728 9.660678 
1 1 1   10   10   11 o  518.579   5.1391  930.772   18.445  937.764   26.292  923.996   25.883  520.483   7.2985  516.649   7.2385 3.833740 10.27931 
1 1 1   10   10   12 o  1065.16   7.7965  3928.03   57.477  4069.41   84.218  3804.76   78.637  1083.89   11.227  1048.08   10.841 35.80225 15.60622 
1 1 1   10   10   13 o  517.577   6.0468  927.377   21.661  935.150   27.112  913.659   36.018  519.689   7.5377  513.564   10.133 6.124817 12.62932 
1 1 1   10   10   14 o  288.723   6.5140  288.651   13.017  301.024   24.208  283.619   15.439  294.640   11.871  286.158   7.7951 8.481934 14.20178 
1 1 1   10   10   15 o  735.370   6.1305  1872.95   31.202  1907.25   44.884  1840.87   43.405  741.750   8.7429  728.747   8.6057 13.00305 12.26773 
1 1 1   10   10   16 o  133.883   10.119   62.592   9.3068   65.024   16.297   61.415   11.337  135.230   17.848  132.290   12.532 2.939468 21.80866 
1 1 1   10   10   17 o  215.891   7.5592  161.717   11.295  157.817   13.541  170.634   20.477  213.140   9.1795  220.736   13.468 -7.595840 16.29889 
1 1 1   10   10   18 o  396.575   5.1763  545.146   14.208  560.036   20.472  531.310   19.734  401.616   7.3649  391.194   7.2885 10.42203 10.36169 
1 1 1   10   10   19 o  170.171   7.6014  100.681   8.9528   93.483   12.959  107.253   12.383  163.081   11.556  175.007   10.268 -11.92621 15.45906 
1 1 1   10   10   20 o  156.123   8.1630   85.170   8.7898   89.131   12.780   81.615   12.109  158.930   11.701  152.073   11.592 6.857285 16.47045 
1 1 1   10   10   21 o   75.249   16.149   21.030   8.1587   25.642   12.007   17.075   11.120   82.029   21.046   67.995   21.271 14.03472 29.92327 
1 1 1   10   12    0 f  1587.20   12.552  8722.15  137.891  8507.16  164.310  9234.15  253.564  1567.35   15.147  1632.25   22.445 -64.90515 27.07794 
1 1 1   10   12    1 o  955.089   9.9330  3157.71   65.660   0.0000   0.0000  3157.71   65.660  ?   ?   955.089   9.9330 0.000000 9.932957 
1 1 1   10   12    2 o  465.468   5.3464  749.846   17.224  705.366   29.019  774.038   21.401  451.404   9.2885  472.905   6.5386 -21.50092 11.35908 
1 1 1   10   12    3 o  827.653   6.3150  2370.97   36.174  2285.28   49.468  2469.47   53.035  812.486   8.7969  844.583   9.0728 -32.09705 12.63726 
1 1 1   10   12    4 o  807.377   6.1949  2256.38   34.617  2260.40   49.003  2252.38   48.909  807.990   8.7627  806.555   8.7615 1.435242 12.39148 
1 1 1   10   12    5 o  665.354   6.2893  1532.53   28.962  1508.30   35.244  1582.93   50.828  660.013   7.7153  675.961   10.864 -15.94904 13.32517 
1 1 1   10   12    6 o  180.077   5.2563  112.246   6.5511  111.919   9.2724  112.573   9.2570  179.791   7.4516  180.316   7.4175 -0.5251160 10.51405 
1 1 1   10   12    7 o  370.333   6.3524  474.740   16.282   0.0000   0.0000  474.740   16.282  ?   ?   370.333   6.3524 0.000000 6.352383 
1 1 1   10   12    8 o  312.642   4.5915  338.293   9.9352  331.106   14.030  345.522   14.071  309.284   6.5541  315.946   6.4350 -6.662354 9.185060 
1 1 1   10   12    9 o  1035.57   8.7156  3712.52   62.468  3758.30   77.687  3628.78  105.078  1041.84   10.774  1023.47   14.834 18.36597 18.33362 
1 1 1   10   12   10 o  902.239   7.9333  2817.89   49.539  2869.74   61.486  2721.95   83.636  910.430   9.7578  886.482   13.632 23.94806 16.76416 
1 1 1   10   12   11 o  527.351   5.1580  962.534   18.826  973.342   26.975  952.271   26.286  530.259   7.3500  524.491   7.2413 5.768372 10.31791 
1 1 1   10   12   12 o  377.909   5.0660  494.324   13.251  518.157   19.369  473.356   18.167  386.871   7.2337  369.771   7.0986 17.10007 10.13492 
1 1 1   10   12   13 o  548.352   5.3729  1040.87   20.391  1055.69   29.376  1027.10   28.328  552.152   7.6869  544.633   7.5152 7.519409 10.75022 
1 1 1   10   12   14 o  244.788   5.9983  207.475   10.162  213.592   15.288  202.633   13.603  248.290   8.8965  241.860   8.1260 6.429626 12.04904 
1 1 1   10   12   15 o  319.271   6.1026  353.061   13.485  344.439   23.528  357.279   16.456  315.051   10.790  321.105   7.4047 -6.053955 13.08639 
1 1 1   10   12   16 o  100.806   11.420   35.772   7.8269   41.192   11.616   31.265   10.592  107.464   16.115   93.161   17.056 14.30270 23.46503 
1 1 1   10   12   17 o  291.290   5.4990  294.052   11.086  286.134   15.782  301.765   15.577  287.119   7.9417  294.890   7.6322 -7.771332 11.01462 
1 1 1   10   12   18 o  318.995   5.3315  352.774   11.771  360.434   16.662  345.141   16.631  322.161   7.4726  315.229   7.6230 6.931274 10.67477 
1 1 1   10   12   19 o  174.905   7.4957  106.360   9.0739  110.042   13.047  102.912   12.628  177.166   10.691  171.307   10.704 5.858978 15.12845 
1 1 1   10   12   20 o  122.401   9.8978   52.727   8.3132   49.625   11.927   55.658   11.594  117.442   15.017  124.873   13.636 -7.431381 20.28411 
1 1 1   10   12   21 o   57.768   19.325   11.688   9.0851   3.5824   16.567   15.173   10.864   57.497   24.273   64.749   21.110 -7.251816 32.16827 
1 1 1   10   14    0 o   53.458   14.062   10.255   5.2726   15.777   7.3116   4.2723   7.6106   66.171   16.115   44.561   17.276 21.61048 23.62542 
1 1 1   10   14    1 o  703.751   8.0601  1714.35   39.259   0.0000   0.0000  1714.35   39.259  ?   ?   703.751   8.0601 0.000000 8.060074 
1 1 1   10   14    2 o  1201.96   8.5051  5001.27   70.753  4763.75   95.075  5296.07  105.922  1172.90   11.712  1236.65   12.376 -63.74951 17.03893 
1 1 1   10   14    3 o  213.956   4.7326  158.436   7.0081  146.773   9.6992  171.176   10.137  205.915   6.8057  222.377   6.5865 -16.46198 9.470949 
1 1 1   10   14    4 o  354.858   4.9811  435.859   12.234  430.049   15.096  446.976   20.881  352.465   6.1882  359.287   8.3971 -6.821442 10.43095 
1 1 1   10   14    5 o  582.741   5.1169  1175.46   20.638  1146.71   28.687  1206.30   29.713  575.501   7.2021  590.260   7.2731 -14.75958 10.23565 
1 1 1   10   14    6 o  418.493   4.5658  606.176   13.225  611.109   18.849  601.393   18.559  420.156   6.4819  416.803   6.4335 3.352448 9.132653 
1 1 1   10   14    7 o  880.720   6.6447  2685.01   40.503  2682.98   57.308  2687.04   57.252  880.260   9.4065  880.928   9.3902 -0.6683350 13.29131 
1 1 1   10   14    8 o  552.108   7.1205  1055.15   27.209   0.0000   0.0000  1055.15   27.209  ?   ?   552.108   7.1205 0.000000 7.120495 
1 1 1   10   14    9 o  512.387   4.9816  908.646   17.666  915.221   25.283  902.373   24.695  514.207   7.1041  510.587   6.9882 3.619995 9.965097 
1 1 1   10   14   10 o  1093.02   7.9247  4135.64   59.950  4279.92   87.810  4009.67   82.047  1111.74   11.412  1076.09   11.016 35.64771 15.86172 
1 1 1   10   14   11 o  353.339   5.8729  432.143   14.362  456.461   17.614  383.902   24.809  363.128   7.0085  332.947   10.766 30.18112 12.84620 
1 1 1   10   14   12 o  379.593   5.0115  498.741   13.166  491.876   18.641  505.576   18.599  376.930   7.1455  382.146   7.0321 -5.215912 10.02534 
1 1 1   10   14   13 o  923.855   7.0431  2955.25   45.034  3064.17   65.957  2860.13   61.638  940.448   10.133  908.630   9.8014 31.81824 14.09790 
1 1 1   10   14   14 o  447.641   5.1937  693.742   16.091  719.789   23.755  671.656   21.874  455.856   7.5291  440.369   7.1768 15.48657 10.40164 
1 1 1   10   14   15 o  245.207   6.0072  208.263   10.195  213.224   15.253  204.257   13.706  247.975   8.8873  242.743   8.1581 5.231659 12.06393 
1 1 1   10   14   16 o  495.138   5.2713  849.254   18.064  857.387   25.907  841.558   25.201  497.242   7.5280  492.649   7.3909 4.593109 10.54971 
1 1 1   10   14   17 o  169.923   7.2618  100.180   8.5402  103.995   12.464   96.804   11.726  172.572   10.485  166.513   10.224 6.058334 14.64439 
1 1 1   10   14   18 o  156.464   8.9574   85.438   9.6597  101.038   12.265   59.951   15.677  169.943   10.479  129.084   18.040 40.85980 20.86243 
1 1 1   10   14   19 o  130.918   9.2228   60.035   8.3033   58.563   11.987   61.394   11.513  128.361   13.705  131.677   12.794 -3.315491 18.74846 
1 1 1   10   14   20 o   84.328   13.792   25.740   7.7714   35.464   11.225   16.788   10.770   98.350   17.112   67.802   20.888 30.54816 27.00296 
1 1 1   10   14   21 o  202.885   6.7463  143.422   9.4731  136.341   13.539  150.213   13.259  196.779   9.9738  207.012   9.2542 -10.23300 13.60576 
1 1 1   10   16    1 o  505.414   6.8466  884.205   23.950  849.756   32.922  922.927   34.905  495.410   9.6017  516.295   9.7681 -20.88446 13.69700 
1 1 1   10   16    2 o  338.476   4.5048  396.515   10.553  376.740   14.639  417.910   15.227  329.906   6.4112  347.466   6.3318 -17.56009 9.010830 
1 1 1   10   16    3 o  656.585   6.2652  1492.32   28.471  1461.24   34.433  1559.51   50.622  649.661   7.6580  670.993   10.901 -21.33252 13.32166 
1 1 1   10   16    4 o  1036.98   7.5270  3723.18   54.022  3649.09   74.914  3803.45   77.975  1026.34   10.546  1047.81   10.752 -21.46118 15.06085 
1 1 1   10   16    5 o  953.356   7.0430  3146.69   46.472  3102.47   64.881  3193.27   66.594  946.425   9.9050  960.165   10.021 -13.74060 14.09006 
1 1 1   10   16    6 o  1186.94   8.4215  4877.89   69.182  4907.18   98.510  4849.38   97.181  1190.19   11.959  1183.17   11.867 7.020874 16.84780 
1 1 1   10   16    7 o  989.704   8.3497  3391.08   57.194  3368.78   97.804  3402.67   70.506  986.047   14.331  991.288   10.277 -5.240906 17.63499 
1 1 1   10   16    8 o  931.125   6.9476  3001.02   44.773  2985.45   63.099  3016.80   63.541  928.596   9.8179  933.458   9.8352 -4.862610 13.89684 
1 1 1   10   16    9 o  221.740   7.2142  170.193   11.072   0.0000   0.0000  170.193   11.072  ?   ?   221.740   7.2142 0.000000 7.214202 
1 1 1   10   16   10 o  561.932   5.9297  1092.94   23.062  1099.69   28.847  1080.98   38.390  563.636   7.3947  558.755   9.9271 4.881287 12.37861 
1 1 1   10   16   11 o  268.708   5.8331  249.924   10.848  249.501   14.104  250.537   16.975  268.458   7.5909  268.991   9.1177 -0.5329590 11.86398 
1 1 1   10   16   12 o  224.049   7.2560  173.796   11.252  170.732   13.323  181.415   21.010  222.044   8.6696  228.391   13.350 -6.347687 15.91786 
1 1 1   10   16   13 o  207.450   6.4474  149.001   9.2571  163.428   13.675  136.797   12.577  217.208   9.0966  198.723   9.1441 18.48468 12.89819 
1 1 1   10   16   14 o  193.251   7.4753  129.367   9.9983  150.049   18.520  120.861   11.878  207.517   12.960  186.742   9.1902 20.77525 15.88754 
1 1 1   10   16   15 o  570.701   7.6189  1128.90   30.094   0.0000   0.0000  1128.90   30.094  ?   ?   570.701   7.6189 0.000000 7.618859 
1 1 1   10   16   16 o  352.002   6.1074  429.396   14.879  429.268   27.816  429.447   17.610  351.319   11.440  351.922   7.2301 -0.6021118 13.53305 
1 1 1   10   16   17 o  238.794   5.9844  197.695   9.8906  204.646   14.111  190.984   13.867  242.737   8.3995  234.480   8.5446 8.257004 11.98177 
1 1 1   10   16   18 o  219.186   6.0959  166.676   9.2476  174.481   13.623  160.005   12.594  223.953   8.7888  214.500   8.4831 9.452637 12.21499 
1 1 1   10   16   19 o  256.460   6.9699  228.593   12.371  223.451   14.797  240.537   22.551  253.304   8.4403  261.841   12.443 -8.537292 15.03589 
1 1 1   10   16   20 o  129.120   9.5426   58.609   8.4674   68.681   12.567   50.235   11.459  138.889   13.233  118.303   14.284 20.58553 19.47191 
1 1 1   10   18    0 o  802.766   7.2132  2230.92   40.077  2040.00   64.011  2354.01   51.397  767.395   12.052  824.530   9.0065 -57.13470 15.04554 
1 1 1   10   18    1 o  181.185   11.743  114.195   14.647   0.0000   0.0000  114.195   14.647  ?   ?   181.185   11.743 0.000000 11.74323 
1 1 1   10   18    2 o  463.509   5.4361  743.651   17.439  712.258   20.900  815.610   31.642  453.592   6.6572  485.298   9.4207 -31.70566 11.53549 
1 1 1   10   18    3 o  660.842   5.5060  1511.69   25.183  1483.71   35.070  1541.49   36.185  654.607   7.7407  667.227   7.8357 -12.61963 11.01438 
1 1 1   10   18    4 o  305.276   4.5268  322.563   9.5645  301.792   13.374  344.307   13.684  295.253   6.5447  315.369   6.2692 -20.11688 9.062886 
1 1 1   10   18    5 o  542.285   7.0072  1018.06   26.300   0.0000   0.0000  1018.06   26.300  ?   ?   542.285   7.0072 0.000000 7.007214 
1 1 1   10   18    6 o  776.939   6.9760  2089.57   37.512  2100.98   64.714  2083.80   46.035  778.817   12.006  775.803   8.5735 3.013794 14.75262 
1 1 1   10   18    7 o  941.297   9.8784  3067.82   64.356   0.0000   0.0000  3067.82   64.356  ?   ?   941.297   9.8784 0.000000 9.878401 
1 1 1   10   18    8 o  725.497   5.8677  1821.75   29.463  1838.09   42.107  1806.07   41.241  728.683   8.3491  722.310   8.2494 6.372925 11.73715 
1 1 1   10   18    9 o  1580.10   10.862  8644.92  118.785  8754.17  170.353  8541.53  165.716  1589.59   15.484  1570.19   15.249 19.39746 21.73212 
1 1 1   10   18   10 o  462.082   5.5080  739.028   17.615  740.137   22.050  737.073   29.286  462.406   6.8899  461.400   9.1708 1.006317 11.47061 
1 1 1   10   18   11 o  723.167   5.9346  1810.25   29.703  1812.37   42.262  1808.17   41.756  723.496   8.4399  722.661   8.3485 0.8352051 11.87139 
1 1 1   10   18   12 o  592.805   5.4368  1216.45   22.307  1250.90   32.478  1185.68   30.691  601.052   7.8072  585.183   7.5777 15.86816 10.87995 
1 1 1   10   18   13 o  155.442   11.250   84.188   12.021   62.537   15.659  115.268   18.761  133.046   17.424  181.622   15.060 -48.57538 23.03038 
1 1 1   10   18   14 o  150.805   7.9021   79.013   8.2191   83.516   12.387   75.471   10.986  154.707   11.654  147.107   10.867 7.599930 15.93446 
1 1 1   10   18   15 o  447.776   5.1081  694.389   15.831  701.257   22.684  687.868   22.103  449.806   7.2865  445.502   7.1685 4.303497 10.22155 
1 1 1   10   18   16 o  320.967   5.2298  356.905   11.618  340.427   16.542  372.945   16.321  313.274   7.6293  327.938   7.1907 -14.66428 10.48387 
1 1 1   10   18   17 o  214.931   7.3262  160.328   10.898  186.878   21.355  150.979   12.673  230.876   13.422  208.437   8.7844 22.43854 16.04130 
1 1 1   10   18   18 o   41.423   16.751   2.7072   7.4415  -4.9822   11.287   8.6189   9.8970   41.713   18.743   54.511   20.011 -12.79733 27.41783 
1 1 1   10   18   19 o  148.738   9.4075   77.487   9.6345   83.268   15.959   74.173   12.085  152.755   15.301  144.921   12.161 7.833557 19.54531 
1 1 1   10   18   20 o   97.350   15.380   34.475   10.019   38.604   11.814   23.902   18.905  102.543   17.259   81.293   27.873 21.25024 32.78382 
1 1 1   10   20    0 o  626.524   6.2147  1358.84   26.949  1234.63   43.278  1437.51   34.440  597.015   10.474  644.343   7.7228 -47.32782 13.01312 
1 1 1   10   20    1 o  135.264   7.8176   63.562   7.2875   59.805   12.544   65.477   8.9534  130.586   14.103  137.170   9.4892 -6.583923 16.99827 
1 1 1   10   20    2 o  674.945   6.4960  1577.08   30.345  1525.84   36.100  1700.49   56.020  663.827   7.8574  700.554   11.554 -36.72687 13.97243 
1 1 1   10   20    3 o  1046.46   7.6062  3791.65   55.090  3640.66   74.840  3970.23   81.389  1025.16   10.548  1070.51   10.985 -45.34985 15.22909 
1 1 1   10   20    4 o  553.846   5.0464  1061.73   19.344  1027.62   26.845  1098.58   27.899  544.819   7.1193  563.313   7.1558 -18.49365 10.09406 
1 1 1   10   20    5 o  823.764   7.2867  2349.15   41.544  2319.51   70.689  2364.79   51.347  818.263   12.482  826.424   8.9772 -8.160217 15.37489 
1 1 1   10   20    6 o  956.653   7.0793  3167.98   46.873  3104.16   65.150  3236.46   67.488  946.834   9.9418  966.793   10.086 -19.95905 14.16212 
1 1 1   10   20    7 o  694.175   6.6358  1667.94   31.881  1720.49   58.297  1645.52   38.081  704.851   11.950  689.459   7.9803 15.39203 14.36966 
1 1 1   10   20    8 o  1117.36   9.3134  4322.25   72.024  4422.93  129.017  4276.67   86.811  1129.81   16.499  1111.35   11.286 18.46448 19.99000 
1 1 1   10   20    9 o  717.118   6.8055  1780.04   33.777  1821.46   61.388  1762.05   40.451  725.228   12.230  713.448   8.1921 11.77960 14.72026 
1 1 1   10   20   10 o  124.135   7.6474   53.548   6.5383   59.856   9.4625   47.784   9.0449  131.049   10.521  116.915   11.319 14.13424 15.45406 
1 1 1   10   20   11 o  301.854   4.9948  315.376   10.435  327.527   15.031  304.069   14.498  307.584   7.0605  296.365   7.0684 11.21951 9.990615 
1 1 1   10   20   12 o  618.375   5.5363  1323.69   23.695  1343.83   34.320  1305.36   32.754  622.956   7.9600  613.986   7.7077 8.970276 11.08016 
1 1 1   10   20   13 o  802.802   7.4285  2232.06   41.275  2340.00   76.720  2188.10   48.965  821.237   13.498  794.719   8.9022 26.51813 16.16909 
1 1 1   10   20   14 o  179.490   8.2773  111.656   10.283  118.182   12.397   97.268   18.407  184.351   9.7511  166.401   16.188 17.94972 18.89763 
1 1 1   10   20   15 o  348.598   5.0244  420.868   12.122  425.289   17.486  416.778   16.821  350.275   7.2128  346.768   7.0085 3.506714 10.05697 
1 1 1   10   20   16 o  134.455   9.0859   63.069   8.4055   64.945   11.234   60.683   12.669  136.040   12.057  131.104   14.188 4.936203 18.61904 
1 1 1   10   20   17 o  165.908   7.0927   95.529   8.1444   90.812   11.930   99.647   11.146  161.106   10.761  168.980   9.5693 -7.873703 14.40059 
1 1 1   10   20   18 o   81.640   15.887   24.269   8.6539   48.102   18.463   17.558   9.7967  113.449   24.249   69.283   19.569 44.16611 31.16017 
1 1 1   10   20   19 o   48.794   17.745   7.0964   7.7555   12.617   11.799   2.8976   10.291   62.278   21.978   47.270   19.477 15.00811 29.36621 
1 1 1   10   20   20 o   71.231   16.575   18.855   8.0178   27.051   11.743   11.698   10.973   84.640   20.307   59.726   21.182 24.91402 29.34339 
1 1 1   10   22    0 o  963.341   14.284  3217.56   95.237  3217.56   95.237   0.0000   0.0000  963.341   14.284  ?   ?  0.000000 14.28390 
1 1 1   10   22    1 o  530.029   5.0374  972.403   18.479  935.122   35.972  985.770   21.539  519.591   10.003  533.638   5.8317 -14.04675 11.57863 
1 1 1   10   22    2 o  730.277   6.8017  1846.29   34.378  1755.61   57.505  1896.72   42.885  711.837   11.672  740.106   8.3721 -28.26953 14.36418 
1 1 1   10   22    4 o  478.964   6.8349  794.131   22.658   0.0000   0.0000  794.131   22.658  ?   ?   478.964   6.8349 0.000000 6.834944 
1 1 1   10   22    6 o  793.778   6.2020  2180.88   34.073  2154.02   47.893  2208.42   48.485  788.794   8.7726  798.692   8.7711 -9.898376 12.40525 
1 1 1   10   22    7 o  1604.70   12.736  8917.93  141.445  8980.49  247.952  8887.75  172.215  1609.06   22.265  1601.68   15.535 7.376587 27.14890 
1 1 1   10   22    8 o  469.393   5.6539  762.581   18.368  794.634   35.450  750.818   21.476  479.064   10.692  465.745   6.6623 13.31876 12.59763 
1 1 1   10   22    9 o  1034.93   10.712  3708.82   76.728  3837.07  114.092  3602.93  103.675  1052.30   15.665  1019.77   14.689 32.53076 21.47490 
1 1 1   10   22   10 o  609.086   6.3042  1284.17   26.576  1339.02   49.778  1262.30   31.430  621.760   11.568  603.842   7.5204 17.91711 13.79726 
1 1 1   10   22   11 o  223.472   5.4527  172.865   8.4336  189.660   12.495  158.809   11.430  234.046   7.7133  214.167   7.7113 19.87946 10.90683 
1 1 1   10   22   12 o  1215.08   8.6941  5113.58   73.115  5476.49  110.824  4833.88   97.292  1256.84   12.740  1180.94   11.903 75.90173 17.43573 
1 1 1   10   22   13 o  761.866   7.2303  2010.35   38.125  2110.47   48.221  1843.42   62.267  780.433   8.9273  728.957   12.342 51.47601 15.23216 
1 1 1   10   22   14 o  244.539   5.4453  207.090   9.2161  208.535   13.843  205.939   12.351  245.280   8.1544  243.787   7.3202 1.492966 10.95808 
1 1 1   10   22   15 f  329.590   7.3307  376.617   16.722  376.617   16.722   0.0000   0.0000  329.590   7.3307  ?   ?  0.000000 7.330718 
1 1 1   10   22   16 o  204.501   6.0901  144.972   8.6197  155.199   12.984  136.914   11.526  211.387   8.8749  198.583   8.3859 12.80347 12.21018 
1 1 1   10   22   17 o   75.103   14.342   20.403   7.1833   26.165   10.646   15.586   9.7330   84.466   18.704   65.932   19.765 18.53381 27.21204 
1 1 1   10   22   18 o   58.808   16.988   12.516   7.3020   19.453   11.051   7.1413   9.7280   72.803   20.861   52.016   19.691 20.78699 28.68604 
1 1 1   10   22   19 o   46.669   18.114   5.1493   8.3741   41.195   18.400  -4.2667   9.4045  103.719   25.751   37.881   17.056 65.83821 30.88752 
1 1 1   10   22   20 o  109.003   10.612   42.110   7.9046   50.856   12.030   35.465   10.486  118.609   14.989   98.454   15.933 20.15451 21.87532 
1 1 1   10   24    0 o  1320.01   10.695  6035.28   97.712  5980.49  167.585  6063.50  120.271  1312.83   18.444  1322.79   13.137 -9.958374 22.64401 
1 1 1   10   24    1 o  1145.32   8.2145  4541.82   65.115  4380.49  125.592  4601.13   76.150  1123.95   16.145  1152.67   9.5452 -28.71887 18.75555 
1 1 1   10   24    2 o  529.526   5.0387  970.515   18.467  963.903   37.357  972.654   21.244  527.568   10.231  530.094   5.7903 -2.526123 11.75592 
1 1 1   10   24    3 o  766.942   12.308  2037.56   65.331  2037.56   65.331   0.0000   0.0000  766.942   12.308  ?   ?  0.000000 12.30783 
1 1 1   10   24    4 o  485.453   6.8960  815.765   23.170   0.0000   0.0000  815.765   23.170  ?   ?   485.453   6.8960 0.000000 6.895990 
1 1 1   10   24    5 o  549.119   7.1682  1043.76   27.243   0.0000   0.0000  1043.76   27.243  ?   ?   549.119   7.1682 0.000000 7.168212 
1 1 1   10   24    6 f  1263.90   8.9184  5530.15   78.015  5477.68  109.452  5584.35  111.228  1257.65   12.574  1269.83   12.656 -12.18005 17.84052 
1 1 1   10   24    7 o  1092.44   9.1511  4131.53   69.191  4173.66  122.387  4111.74   83.882  1097.56   16.111  1089.72   11.122 7.833374 19.57728 
1 1 1   10   24    8 o  660.934   6.3726  1511.99   29.151  1514.90   36.436  1506.83   48.591  661.531   7.9579  659.686   10.643 1.845276 13.28879 
1 1 1   10   24    9 o  610.286   7.5376  1289.32   31.838   0.0000   0.0000  1289.32   31.838  ?   ?   610.286   7.5376 0.000000 7.537642 
1 1 1   10   24   10 o  370.839   4.7293  475.983   12.138  501.506   17.888  454.204   16.525  380.618   6.7906  362.227   6.5914 18.39096 9.463525 
1 1 1   10   24   11 o  279.050   6.8396  269.589   13.210   0.0000   0.0000  269.589   13.210  ?   ?   279.050   6.8396 0.000000 6.839571 
1 1 1   10   24   12 o  309.414   5.9383  331.453   12.717  348.585   26.421  326.287   14.508  317.092   12.039  306.972   6.8285 10.11978 13.84066 
1 1 1   10   24   13 o  430.584   6.8165  642.153   20.314   0.0000   0.0000  642.153   20.314  ?   ?   430.584   6.8165 0.000000 6.816452 
1 1 1   10   24   14 o  214.317   5.4803  159.080   8.1290  152.562   12.078  164.477   10.991  209.768   8.3194  217.853   7.2893 -8.085205 11.06099 
1 1 1   10   24   15 o  128.392   7.8422   57.390   6.9353   58.139   10.554   56.820   9.2007  128.722   11.984  127.444   10.525 1.278061 15.94996 
1 1 1   10   24   16 o  226.765   7.0622  178.393   11.084  180.534   13.144  173.122   20.622  228.012   8.3289  222.269   13.469 5.742981 15.83594 
1 1 1   10   24   17 o  184.673   7.0691  118.402   9.0353  116.293   15.478  119.493   11.128  182.010   12.360  185.370   8.6738 -3.360413 15.09977 
1 1 1   10   24   18 o  203.262   6.2439  143.442   8.7839  135.344   12.927  150.389   11.973  197.023   9.4796  207.863   8.3223 -10.84016 12.61441 
1 1 1   10   24   19 o   61.284   16.490   13.832   7.1481   19.237   10.892   9.7421   9.4735   71.998   20.733   55.329   19.675 16.66822 28.58284 
1 1 1   10   24   20 o  132.352   10.078   61.833   9.1622   56.488   17.434   63.873   10.769  122.407   21.355  134.073   11.723 -11.66681 24.36130 
1 1 1   10   26    0 o  1097.69   9.1469  4171.95   69.491  4185.85  120.426  4165.01   85.086  1098.91   15.834  1096.62   11.210 2.292725 19.40047 
1 1 1   10   26    1 o  387.846   4.7983  520.631   12.880  508.780   25.717  524.598   14.881  383.319   9.6936  389.312   5.5228 -5.992310 11.15649 
1 1 1   10   26    2 o  648.666   6.4467  1456.46   28.942  1362.44   47.883  1510.59   36.330  627.225   11.030  660.566   7.9465 -33.34076 13.59454 
1 1 1   10   26    3 o  806.820   8.8830  2253.71   49.604   0.0000   0.0000  2253.71   49.604  ?   ?   806.820   8.8830 0.000000 8.883045 
1 1 1   10   26    4 o  253.630   5.9206  222.652   10.393  188.927   18.392  238.473   12.597  233.575   11.377  262.477   6.9343 -28.90242 13.32357 
1 1 1   10   26    5 o  1006.05   15.033  3506.34  104.672  3506.34  104.672   0.0000   0.0000  1006.05   15.033  ?   ?  0.000000 15.03268 
1 1 1   10   26    6 o  433.825   4.8119  651.360   14.448  646.046   20.596  656.509   20.273  432.027   6.8881  435.514   6.7257 -3.486603 9.627094 
1 1 1   10   26    7 o  949.654   10.018  3122.36   65.843  3083.90   93.935  3159.51   92.318  943.551   14.384  955.074   13.966 -11.52356 20.04884 
1 1 1   10   26    8 o  872.306   6.6624  2633.84   40.223  2671.17   57.827  2598.85   55.986  878.356   9.5123  866.392   9.3366 11.96411 13.32878 
1 1 1   10   26    9 o  475.839   6.8107  783.793   22.430   0.0000   0.0000  783.793   22.430  ?   ?   475.839   6.8107 0.000000 6.810660 
1 1 1   10   26   10 o  291.664   5.2665  294.451   10.631  336.488   18.269  272.927   13.073  311.732   8.4675  280.781   6.7269 30.95090 10.81434 
1 1 1   10   26   11 o  466.880   4.9528  754.519   16.004  804.179   23.806  713.568   21.618  481.933   7.1372  453.979   6.8803 27.95377 9.913536 
1 1 1   10   26   12 o  179.509   7.8471  111.610   9.7493  113.946   11.428  105.366   18.686  181.119   9.1462  173.478   15.734 7.640320 18.19928 
1 1 1   10   26   13 o  536.192   6.0723  995.705   22.535  1098.05   44.525  960.461   26.128  562.508   11.437  526.535   7.1698 35.97327 13.49820 
1 1 1   10   26   14 o   35.127   14.716   0.6697   6.0142   13.291   9.0004  -9.5122   8.0839   61.736   19.108   30.538   14.446 31.19843 23.95446 
1 1 1   10   26   15 o  238.476   5.2149  197.023   8.6073  221.197   13.023  178.271   11.470  252.536   7.4508  226.722   7.3095 25.81458 10.43756 
1 1 1   10   26   16 o  188.578   6.0871  123.307   7.9447  104.462   11.926  138.342   10.652  172.995   10.003  199.624   7.7101 -26.62993 12.62976 
1 1 1   10   26   17 f  203.484   7.6549  143.870   10.781  140.604   12.680  152.390   20.480  200.992   9.1149  207.903   14.320 -6.911301 16.97502 
1 1 1   10   26   19 o  134.240   8.3683   63.095   7.7362   61.787   11.567   64.153   10.406  131.802   12.843  134.737   11.263 -2.935303 17.08162 
1 1 1   10   26   20 o  109.248   10.336   42.329   7.7223   50.899   11.533   35.364   10.397  118.657   14.334   98.128   15.849 20.52934 21.36934 
1 1 1   10   28    0 o   44.580   16.723   5.0563   6.9814   8.1173   8.2110  -2.9302   13.263   51.936   18.333   48.179   21.039 3.756863 27.90593 
1 1 1   10   28    1 o  746.371   6.0448  1928.16   31.226  1939.02   63.134  1924.65   35.928  748.240   12.191  745.666   6.9616 2.574402 14.03886 
1 1 1   10   28    2 o  952.415   8.2077  3140.18   54.103   0.0000   0.0000  3140.18   54.103  ?   ?   952.415   8.2077 0.000000 8.207664 
1 1 1   10   28    3 o  444.917   10.012  685.366   30.831  685.366   30.831   0.0000   0.0000  444.917   10.012  ?   ?  0.000000 10.01230 
1 1 1   10   28    4 o  888.632   7.8350  2733.48   48.188  2761.95   85.288  2720.13   58.404  892.976   13.800  886.398   9.5199 6.577942 16.76492 
1 1 1   10   28    5 o  299.398   4.8694  310.235   10.090  322.829   23.731  307.455   11.148  305.344   11.229  298.050   5.4043 7.293915 12.46189 
1 1 1   10   28    6 o  541.569   6.0487  1015.15   22.672  942.927   38.965  1052.11   27.877  521.854   10.788  551.320   7.3058 -29.46625 13.02910 
1 1 1   10   28    7 o  972.280   8.3941  3272.54   56.486  3291.71   99.977  3263.56   68.460  974.752   14.819  970.862   10.188 3.890503 17.98378 
1 1 1   10   28    8 o  723.514   5.9070  1811.90   29.580  1807.02   42.009  1816.69   41.657  722.460   8.4013  724.395   8.3088 -1.934692 11.81604 
1 1 1   10   28    9 o  818.145   6.3903  2317.08   36.185  2335.62   51.817  2299.43   50.552  821.281   9.1160  814.903   8.9631 6.378723 12.78429 
1 1 1   10   28   10 o  850.809   6.5812  2506.02   38.754  2575.66   56.437  2443.90   53.308  862.365   9.4558  840.038   9.1689 22.32648 13.17120 
1 1 1   10   28   11 o  251.703   6.9014  219.367   12.023   0.0000   0.0000  219.367   12.023  ?   ?   251.703   6.9014 0.000000 6.901416 
1 1 1   10   28   12 o  447.159   4.8555  692.222   15.027  708.750   21.879  677.462   20.675  452.370   6.9880  442.284   6.7542 10.08585 9.718612 
1 1 1   10   28   13 o  385.386   5.2854  514.326   14.098  525.532   18.555  499.024   21.683  389.468   6.8835  379.422   8.2569 10.04669 10.74981 
1 1 1   10   28   14 o   96.759   9.6164   32.818   6.3546   27.483   10.928   35.544   7.8109   86.975   18.710  100.484   11.435 -13.50861 21.92727 
1 1 1   10   28   15 o   44.687   16.274   5.7143   6.5266  -2.3395   17.707   6.9806   7.0209   56.159   24.420   47.847   16.946 8.311794 29.72403 
1 1 1   10   28   16 o   34.479   14.389   0.8444   5.7186 -10.5786   9.4660   7.4092   7.1761   33.288   15.712   48.778   17.147 -15.49064 23.25691 
1 1 1   10   28   17 o  170.641   6.3234  101.066   7.4681   96.147   11.206  104.996   10.017  165.808   9.8088  173.739   8.3300 -7.931091 12.86864 
1 1 1   10   28   18 o  264.817   6.6754  243.708   12.235  240.167   14.237  253.707   23.925  262.678   7.8312  268.666   12.867 -5.987457 15.06238 
1 1 1   10   28   19 o  160.032   7.7934   89.280   8.6319  101.473   11.955   76.000   12.477  169.869   10.216  146.327   12.438 23.54146 16.09526 
1 1 1   10   30    1 o  141.758   8.0099   69.785   7.8266   68.195   12.199   70.898   10.204  139.745   12.753  142.718   10.401 -2.973114 16.45696 
1 1 1   10   30    2 o  1344.39   9.4406  6257.20   87.842  5951.22  167.147  6373.96  103.250  1310.34   18.431  1356.78   10.995 -46.43713 21.46117 
1 1 1   10   30    3 o  963.775   7.2106  3215.15   48.098  3172.68   95.961  3229.40   55.584  957.045   14.487  965.871   8.3149 -8.825562 16.70379 
1 1 1   10   30    4 o  1504.27   12.036  7835.73  125.309  7980.49  222.104  7768.13  151.771  1517.07   21.153  1497.53   14.643 19.54016 25.72693 
1 1 1   10   30    5 o  1214.70   10.027  5108.37   84.298  4771.71  136.746  5314.73  107.061  1173.50   16.837  1238.83   12.487 -65.33435 20.96150 
1 1 1   10   30    6 o  602.305   6.3698  1255.64   26.553  1178.05   45.561  1295.56   32.677  583.272   11.286  611.774   7.7174 -28.50208 13.67237 
1 1 1   10   30    7 o  508.829   10.930  896.585   38.490  896.585   38.490   0.0000   0.0000  508.829   10.930  ?   ?  0.000000 10.92956 
1 1 1   10   30    8 o  1486.79   10.312  7655.43  106.115  7375.61  205.681  7756.92  123.875  1457.80   20.385  1496.43   11.961 -38.62415 23.63507 
1 1 1   10   30    9 o  641.870   6.5889  1426.27   29.271  1448.78   55.634  1417.65   34.420  646.614   12.431  639.882   7.7720 6.731018 14.66093 
1 1 1   10   30   10 o  804.495   6.3459  2240.66   35.334  2278.72   50.962  2205.44   49.034  811.119   9.0779  797.986   8.8781 13.13330 12.69764 
1 1 1   10   30   11 o   45.575   15.120   6.8242   5.5644   23.312   9.1351  -2.9019   7.0162   80.415   16.948   33.486   14.930 46.92869 22.58611 
1 1 1   10   30   12 o  250.688   4.8173  217.578   8.3582  214.562   12.349  220.128   11.354  248.874   7.1692  252.104   6.5072 -3.229980 9.682029 
1 1 1   10   30   13 o  365.653   4.6384  462.966   11.739  448.474   16.729  477.022   16.476  359.765   6.7185  371.060   6.4154 -11.29480 9.289515 
1 1 1   10   30   14 o   56.774   13.035   11.672   5.0139   9.8195   8.7267   12.585   6.1259   55.258   18.937   58.932   14.985 -3.673397 24.14920 
1 1 1   10   30   15 o  227.466   5.4064  179.308   8.5114  196.000   14.894  171.214   10.372  237.512   9.0607  222.185   6.7446 15.32697 11.29538 
1 1 1   10   30   16 o  144.267   7.6510   72.490   7.6122   80.780   19.397   70.981   8.2761  149.950   19.125  142.656   8.4196 7.294769 20.89668 
1 1 1   10   30   17 o  172.590   6.2023  103.398   7.4088  105.951   11.243  101.439   9.8501  174.120   9.3637  170.736   8.3356 3.384109 12.53640 
1 1 1   10   30   18 o   42.628   15.650   5.2284   6.0533   8.8887   9.1448   2.3738   8.0759   53.626   19.303   42.154   17.298 11.47193 25.91932 
1 1 1   10   30   19 o   77.589   12.515   21.763   6.4921   28.857   9.8315   16.278   8.6448   88.405   16.680   66.101   18.281 22.30364 24.74720 
1 1 1   10   32    0 o  774.927   7.1336  2078.58   38.260  1945.37   62.082  2160.16   48.582  749.530   11.967  789.938   8.8860 -40.40820 14.90573 
1 1 1   10   32    1 o  618.853   7.6845  1325.67   32.914  1325.67   32.914   0.0000   0.0000  618.853   7.6845  ?   ?  0.000000 7.684542 
1 1 1   10   32    2 o  941.912   10.033  3071.58   65.408  3071.58   65.408   0.0000   0.0000  941.912   10.033  ?   ?  0.000000 10.03337 
1 1 1   10   32    3 o  1335.29   9.3990  6172.57   86.862  6170.73  174.558  6173.18  100.141  1334.29   18.902  1335.26   10.836 -0.9779053 21.78792 
1 1 1   10   32    4 o  1664.17   11.414  9589.61  131.460  9429.27  259.054  9645.22  152.564  1648.74   22.702  1668.82   13.209 -20.07935 26.26504 
1 1 1   10   32    5 o  838.304   7.4961  2432.60   43.493  2305.37   73.393  2501.46   53.995  815.859   12.998  850.028   9.1779 -34.16901 15.91131 
1 1 1   10   32    6 o  901.999   6.8720  2816.27   42.901  2827.80   88.096  2812.69   49.119  903.457   14.089  901.387   7.8733 2.070740 16.13946 
1 1 1   10   32    7 o  937.085   8.2093  3040.18   53.243  2942.93   90.772  3091.19   65.739  921.561   14.232  944.808   10.053 -23.24683 17.42423 
1 1 1   10   32    8 o  567.777   7.4065  1116.07   29.105   0.0000   0.0000  1116.07   29.105  ?   ?   567.777   7.4065 0.000000 7.406532 
1 1 1   10   32    9 o  731.812   5.9542  1853.93   30.158  1936.10   66.201  1832.41   33.877  747.397   12.798  727.519   6.7281 19.87848 14.45853 
1 1 1   10   32   10 o  386.850   4.6655  518.021   12.491  561.463   31.312  509.798   13.622  402.491   11.240  383.757   5.1289 18.73407 12.35501 
1 1 1   10   32   11 o  215.854   4.7288  161.298   7.0646  215.122   22.644  155.494   7.4358  248.617   13.207  211.929   5.0694 36.68829 14.14640 
1 1 1   10   32   12 o  244.037   4.6511  206.196   7.8558  225.646   12.035  191.759   10.369  255.212   6.8136  235.286   6.3676 19.92642 9.325892 
1 1 1   10   32   13 o  374.613   4.5609  485.962   11.825  490.439   17.073  481.834   16.395  376.202   6.5570  372.902   6.3524 3.299286 9.129477 
1 1 1   10   32   14 o  249.860   4.6061  216.234   7.9653  258.216   12.603  188.310   10.278  272.908   6.6724  233.075   6.3717 39.83266 9.225986 
1 1 1   10   32   15 o  129.961   6.2842   58.572   5.6525   72.976   10.411   52.552   6.7309  144.418   10.487  122.767   7.9647 21.65117 13.16894 
1 1 1   10   32   16 o   33.757   13.384   2.1511   4.6550   0.6263   8.1830   2.8806   5.6601   40.348   17.048   37.636   14.810 2.712143 22.58220 
1 1 1   10   32   17 f  290.234   4.8718  292.100   9.7862  285.005   14.176  298.561   13.527  286.350   7.1526  293.166   6.6665 -6.815430 9.777663 
1 1 1   10   32   18 o   50.711   16.628   8.8600   6.7371   7.3024   16.687   9.1633   7.3639   61.725   25.041   51.945   17.398 9.779316 30.49171 
1 1 1   10   32   19 o   30.706   13.775  -2.5567   6.0716  -4.4533   9.5206  -1.2566   7.8826   37.751   17.064   37.016   16.190 0.7345619 23.52253 
1 1 1   10   34    0 o  1382.77   9.6766  6619.54   92.608  6470.69  127.791  6784.17  134.393  1366.86   13.508  1399.55   13.874 -32.68652 19.36406 
1 1 1   10   34    1 o  460.116   5.0368  732.709   16.040  710.873   22.147  756.797   23.261  453.184   7.0609  467.591   7.1877 -14.40738 10.07570 
1 1 1   10   34    2 o  938.085   7.0859  3046.00   46.006  2886.76   61.720  3245.11   69.013  913.140   9.7659  968.136   10.300 -54.99609 14.19346 
1 1 1   10   34    3 o  507.142   6.0590  890.188   21.267  835.610   36.232  918.875   26.268  491.260   10.656  515.227   7.3664 -23.96747 12.95455 
1 1 1   10   34    4 o  1134.28   9.4594  4454.39   74.261  4324.88  125.975  4523.37   91.933  1117.17   16.292  1142.90   11.622 -25.72888 20.01300 
1 1 1   10   34    5 o  1183.89   9.8453  4852.98   80.671  4631.71  134.465  4977.41  100.833  1155.97   16.807  1198.80   12.153 -42.82422 20.74037 
1 1 1   10   34    6 o  289.198   12.182  289.707   24.383  289.707   24.383   0.0000   0.0000  289.198   12.182  ?   ?  0.000000 12.18188 
1 1 1   10   34    7 o  267.325   7.0250  247.395   12.998   0.0000   0.0000  247.395   12.998  ?   ?   267.325   7.0250 0.000000 7.025002 
1 1 1   10   34    8 o  621.468   6.4563  1337.05   27.770  1350.24   50.737  1331.41   33.182  624.257   11.743  620.105   7.7313 4.152222 14.05974 
1 1 1   10   34    9 o  589.142   5.3219  1201.50   21.700  1211.22   47.278  1198.90   24.425  591.179   11.555  588.481   5.9969 2.698486 13.01825 
1 1 1   10   34   10 o  336.045   5.5722  390.964   12.960  411.902   27.441  384.953   14.703  344.675   11.503  333.429   6.3713 11.24625 13.14948 
1 1 1   10   34   11 o   63.267   9.1716   14.163   3.8989   35.780   18.653   13.176   3.9870   99.275   26.607   60.883   9.7939 38.39243 28.35214 
1 1 1   10   34   12 o  285.883   8.0566  283.336   15.941  284.000   23.100  282.732   22.026  285.937   11.672  285.344   11.153 0.5926208 16.14428 
1 1 1   10   34   13 o  422.723   7.6460  619.687   22.370  612.683   32.049  626.341   31.238  419.850   11.029  424.570   10.631 -4.719879 15.31842 
1 1 1   10   34   14 o  239.374   9.1499  199.058   15.159  188.049   21.721  209.512   21.166  231.731   13.602  244.852   12.532 -13.12106 18.49538 
1 1 1   10   34   15 o  237.370   13.801  197.805   22.576  197.805   22.576   0.0000   0.0000  237.370   13.801  ?   ?  0.000000 13.80120 
1 1 1   10   34   16 o  159.661   11.937   89.627   13.095   94.683   18.444   84.488   18.595  162.969   16.583  153.496   17.836 9.472824 24.35404 
1 1 1   10   34   17 o   95.435   7.7042   31.895   5.0454   31.485   8.2874   32.137   6.3598   93.769   13.130   95.459   9.7634 -1.689903 16.36193 
1 1 1   10   34   18 o   81.166   9.7345   23.370   5.3593   23.107   8.6474   23.535   6.8290   79.125   16.332   80.804   12.624 -1.678482 20.64195 
1 1 1   10   36    0 o  935.483   7.0741  3029.18   45.802  2962.15   63.392  3102.39   66.250  924.967   9.9021  946.600   10.112 -21.63354 14.15300 
1 1 1   10   36    2 o  528.937   11.020  968.781   40.343   0.0000   0.0000  968.781   40.343  ?   ?   528.937   11.020 0.000000 11.02025 
1 1 1   10   36    3 o  606.967   6.3087  1275.18   26.502  1223.49   31.721  1394.63   48.225  594.507   7.7094  634.620   10.980 -40.11292 13.41581 
1 1 1   10   36    4 o  457.525   5.1974  724.514   16.458  707.805   33.897  729.668   18.826  452.096   10.833  459.138   5.9243 -7.042145 12.34732 
1 1 1   10   36    5 o  515.180   6.1670  918.703   21.989  927.805   39.792  914.702   26.383  517.578   11.108  514.028   7.4159 3.550598 13.35623 
1 1 1   10   36    6 o  619.047   5.5824  1326.47   23.918  1221.95   47.210  1362.56   27.742  593.931   11.485  627.389   6.3888 -33.45795 13.14216 
1 1 1   10   36    7 o  956.051   7.2030  3164.51   47.662  3027.32   93.516  3212.65   55.397  934.455   14.459  963.224   8.3097 -28.76886 16.67709 
1 1 1   10   36    8 o  548.459   6.2278  1041.39   23.640  967.805   41.006  1078.02   28.932  528.489   11.211  557.972   7.4920 -29.48260 13.48361 
1 1 1   10   36    9 f  265.331   9.0477  243.887   16.615  247.902   23.471  239.854   23.524  267.368   12.683  262.981   12.925 4.386841 18.10843 
1 1 1   10   36   10 o  587.166   5.9552  1193.83   24.201  1182.93   45.898  1198.03   28.483  583.995   11.355  588.127   6.9973 -4.132629 13.33824 
1 1 1   10   36   11 o  102.737   7.2186   36.751   5.1002   29.176   17.109   37.490   5.3432   90.086   25.997  103.745   7.4918 -13.65871 27.05528 
1 1 1   10   36   12 o  183.182   10.715  116.940   13.526  107.171   19.527  125.951   18.754  174.494   16.360  189.619   14.398 -15.12498 21.79273 
1 1 1   10   36   13 o  121.950   20.560   53.707   16.736   0.0000   0.0000   53.707   16.736  ?   ?   121.950   20.560 0.000000 20.55960 
1 1 1   10   36   14 o   74.119   21.679   19.849   11.826   22.400   17.465   17.688   16.072   80.676   26.787   73.772   25.676 6.903908 37.10582 
1 1 1   10   36   15 o  217.112   9.5887  164.090   14.409  159.366   20.467  168.732   20.288  212.820   13.973  219.142   13.441 -6.321426 19.38821 
1 1 1   10   36   16 o   59.124   25.424   0.2395   18.768   0.0000   0.0000   0.2395   18.768  ?   ?    59.124   25.424 0.000000 25.42387 
1 1 1   10   36   17 o   56.136   21.991   7.4112   12.429  -1.2059   16.984   17.346   18.237   54.930   23.901   73.969   27.163 -19.03868 36.18163 
1 1 1   10   36   18 o  135.388   14.814   65.928   13.655   68.683   19.221   63.122   19.401  135.690   21.157  129.386   22.481 6.304153 30.87089 
1 1 1   10   38    0 o  507.069   6.1273  889.968   21.504  892.683   37.687  888.657   26.185  507.729   10.725  506.668   7.4670 1.060120 13.06800 
1 1 1   10   38    1 o  332.170   5.1869  381.888   11.925  362.420   16.166  405.124   17.661  323.569   7.2188  342.098   7.4592 -18.52902 10.38025 
1 1 1   10   38    2 o  268.749   5.6118  249.990   10.438  233.776   14.040  270.028   15.608  259.864   7.8062  279.283   8.0746 -19.41910 11.23101 
1 1 1   10   38    3 o  483.601   5.1950  809.464   17.388  787.320   23.677  835.386   25.618  476.903   7.1734  491.236   7.5348 -14.33344 10.40342 
1 1 1   10   38    4 o  784.560   7.4352  2130.93   40.373  2268.78   73.945  2072.38   48.191  809.202   13.203  773.637   9.0001 35.56476 15.97878 
1 1 1   10   38    5 o  584.510   5.5584  1182.59   22.486  1125.37   45.270  1201.34   25.909  569.969   11.476  589.102   6.3544 -19.13361 13.11758 
1 1 1   10   38    6 o  486.718   6.1683  820.062   20.779  854.634   39.866  807.167   24.347  496.662   11.598  482.844   7.2857 13.81750 13.69615 
1 1 1   10   38    7 o  594.347   5.5178  1222.82   22.698  1178.05   46.547  1236.78   25.998  583.060   11.535  597.704   6.2847 -14.64355 13.13565 
1 1 1   10   38    8 o  624.456   5.5606  1349.95   24.032  1303.42   49.746  1364.12   27.448  613.192   11.721  627.690   6.3181 -14.49780 13.31582 
1 1 1   10   38    9 o  914.881   6.9613  2898.81   44.079  2741.46   86.169  2954.57   51.299  888.637   14.010  923.519   8.0257 -34.88257 16.14632 
1 1 1   10   38   10 o  509.437   4.9920  898.596   17.601  874.146   38.752  904.951   19.757  501.914   11.155  511.201   5.5840 -9.286407 12.47489 
1 1 1   10   38   11 o  524.237   7.8424  952.722   28.455  984.390   41.600  924.878   39.007  532.377   11.290  516.094   10.920 16.28320 15.70739 
1 1 1   10   38   12 o   65.929   25.107   10.966   15.876   0.0000   0.0000   10.966   15.876  ?   ?    65.929   25.107 0.000000 25.10736 
1 1 1   10   38   13 o   56.934   21.420   8.5566   11.470   8.4585   16.976   8.6390   15.558   64.515   25.565   62.774   24.600 1.741489 35.47903 
1 1 1   10   38   14 o   67.163   21.690   15.652   11.485  -4.3693   16.755   33.395   15.773   52.847   23.342   94.888   24.001 -42.04113 33.47990 
1 1 1   10   38   15 o  190.599   10.290  127.021   13.524  119.805   18.622  135.073   19.672  184.087   14.739  195.559   14.641 -11.47243 20.77471 
1 1 1   10   38   16 o   64.134   25.683   8.5415   17.307   8.5415   17.307   0.0000   0.0000   64.134   25.683  ?   ?  0.000000 25.68255 
1 1 1   10   38   17 o  138.804   14.134   68.788   13.388   67.463   17.647   70.585   20.552  135.679   19.340  137.622   22.343 -1.943710 29.55022 
1 1 1   10   38   18 f  196.509   15.640  139.073   21.096   0.0000   0.0000  139.073   21.096  ?   ?   196.509   15.640 0.000000 15.64009 
1 1 1   10   40    0 o  889.852   6.8830  2741.08   42.391  2640.56   57.848  2857.66   62.297  873.252   9.5714  908.420   9.9085 -35.16846 13.77641 
1 1 1   10   40    1 o  131.800   9.4757   60.462   8.5861   63.130   11.638   57.276   12.719  134.397   12.661  127.723   14.654 6.674057 19.36549 
1 1 1   10   40    2 o  543.724   7.4490  1023.47   28.032  1023.47   28.032   0.0000   0.0000  543.724   7.4490  ?   ?  0.000000 7.448955 
1 1 1   10   40    3 f  862.104   7.7919  2573.16   46.492  2500.40   55.029  2754.63   86.905  849.741   9.3568  891.521   14.084 -41.78015 16.90912 
1 1 1   10   40    4 o  361.724   5.9652  452.927   14.934  464.634   24.183  445.710   18.987  366.286   9.5393  358.797   7.6461 7.488739 12.22540 
1 1 1   10   40    5 o  156.363   9.9797   85.029   10.744   0.0000   0.0000   85.029   10.744  ?   ?   156.363   9.9797 0.000000 9.979703 
1 1 1   10   40    6 o  440.399   6.1167  671.440   18.644  678.049   34.784  668.776   22.084  442.351   11.362  439.489   7.2604 2.861786 13.48326 
1 1 1   10   40    7 o  546.920   5.3917  1035.50   20.409  976.585   41.608  1054.16   23.420  530.810   11.325  551.798   6.1324 -20.98810 12.87916 
1 1 1   10   40    8 o  381.786   11.014  505.366   29.104  505.366   29.104   0.0000   0.0000  381.786   11.014  ?   ?  0.000000 11.01442 
1 1 1   10   40    9 o  342.401   7.0153  406.119   16.625  392.244   26.125  415.561   21.552  336.239   11.226  346.247   8.9933 -10.00854 14.38426 
1 1 1   10   40   10 o  553.995   5.1967  1062.84   19.926  1051.71   43.467  1065.80   22.420  550.338   11.412  554.714   5.8397 -4.376099 12.81917 
1 1 1   10   40   11 o  509.076   7.8606  898.674   27.696  920.000   39.995  879.024   38.390  514.533   11.231  502.982   11.028 11.55124 15.74000 
1 1 1   10   40   12 o  122.285   14.744   52.948   12.227   30.190   17.780   73.366   16.841   91.122   26.562  143.725   17.276 -52.60265 31.68597 
1 1 1   10   40   13 o  146.541   12.479   75.435   12.536   78.829   18.470   72.537   17.069  148.586   18.350  142.607   17.673 5.979050 25.47664 
1 1 1   10   40   14 o  134.239   13.245   63.643   12.145   42.263   17.317   84.341   17.038  106.590   24.045  154.027   16.227 -47.43686 29.00833 
1 1 1   10   40   15 o  113.404   22.024   47.610   16.663   47.610   16.663   0.0000   0.0000  113.404   22.024  ?   ?  0.000000 22.02410 
1 1 1   10   40   16 o   65.011   22.753   13.986   12.629   6.8927   17.270   22.137   18.513   62.346   25.406   79.733   27.569 -17.38765 37.49004 
1 1 1   10   40   17 o  109.712   26.537   46.810   19.930   0.0000   0.0000   46.810   19.930  ?   ?   109.712   26.537 0.000000 26.53683 
1 1 1   10   42    0 o  765.729   6.2951  2029.71   33.362  1988.19   46.124  2075.27   48.314  757.741   8.7949  774.145   9.0172 -16.40411 12.59604 
1 1 1   10   42    1 o  225.008   9.5595  175.333   14.887  143.122   21.744  203.756   20.425  202.566   15.630  242.196   12.224 -39.63034 19.84282 
1 1 1   10   42    2 o  270.737   5.8719  253.728   11.003  245.656   14.910  263.380   16.304  266.361   8.0878  275.794   8.5415 -9.432983 11.76305 
1 1 1   10   42    3 o  429.293   5.2281  637.910   15.534  584.761   20.710  706.276   23.488  410.973   7.2808  451.653   7.5138 -40.67981 10.46269 
1 1 1   10   42    4 o  521.558   7.2958  941.836   26.336  862.439   34.139  1058.54   41.389  498.983   9.8853  552.756   10.819 -53.77359 14.65484 
1 1 1   10   42    5 o  147.162   9.7037   75.347   9.8280   86.098   21.583   72.534   11.039  156.060   20.477  144.250   11.143 11.80992 23.31248 
1 1 1   10   42    6 o  1140.24   8.3135  4503.21   65.608  4354.63  128.307  4555.81   76.343  1119.82   16.555  1146.71   9.6192 -26.88965 19.14649 
1 1 1   10   42    7 o  159.998   8.9198   88.974   9.8383   96.488   20.108   86.609   11.281  165.627   17.822  157.727   10.392 7.899902 20.63046 
1 1 1   10   42    8 o   67.215   16.481   16.343   7.6080   0.9137   18.048   19.677   8.3899   59.749   25.285   73.746   16.811 -13.99662 30.36362 
1 1 1   10   42    9 f  658.345   5.6984  1501.09   25.965  1429.27   53.074  1523.69   29.770  641.516   11.953  663.202   6.4857 -21.68677 13.59967 
1 1 1   10   42   10 o  236.145   6.0113  193.193   9.8248  190.293   21.508  193.958   11.044  233.474   13.366  236.578   6.7451 -3.103973 14.97156 
1 1 1   10   42   11 o  214.851   5.8309  159.951   8.6706  158.927   21.964  160.140   9.4371  212.871   15.004  214.952   6.3434 -2.081650 16.29009 
1 1 1   10   42   12 o   99.147   18.314   35.604   12.104   15.961   17.278   54.537   16.963   72.919   26.491  122.723   20.708 -49.80353 33.62380 
1 1 1   10   42   13 o  199.327   9.6114  138.223   13.260  138.000   18.902  138.439   18.606  198.132   13.871  198.502   13.625 -0.3700867 19.44374 
1 1 1   10   42   14 o  156.862   16.438   87.659   17.581   87.659   17.581   0.0000   0.0000  156.862   16.438  ?   ?  0.000000 16.43758 
1 1 1   10   42   15 o  178.652   10.983  112.006   13.514  107.415   18.453  117.317   19.846  173.740   15.509  181.484   15.962 -7.744583 22.25596 
1 1 1   10   42   16 o  155.417   12.880   85.607   13.730   75.610   18.195   98.829   20.925  144.110   18.682  165.051   18.644 -20.94038 26.39338 
1 1 1   10   42   17 o   83.253   27.289   26.146   18.147   26.146   18.147   0.0000   0.0000   83.253   27.289  ?   ?  0.000000 27.28920 
1 1 1   10   44    0 o  585.935   6.4505  1188.55   26.159  1162.40   31.445  1247.32   47.138  579.398   7.8416  599.996   11.351 -20.59723 13.79646 
1 1 1   10   44    1 o  538.458   5.4711  1003.64   20.389  980.594   28.108  1029.23   29.622  532.168   7.6313  545.195   7.8503 -13.02753 10.94824 
1 1 1   10   44    2 o  789.687   6.4124  2158.92   35.047  2083.52   47.840  2246.27   51.490  775.625   8.9117  805.324   9.2379 -29.69916 12.83579 
1 1 1   10   44    3 o  343.274   5.4296  407.913   12.900  401.540   17.861  414.862   18.652  340.531   7.5782  346.128   7.7858 -5.596680 10.86496 
1 1 1   10   44    4 o  568.876   5.5305  1120.31   21.775  1060.27   29.133  1196.33   32.778  553.331   7.6072  587.738   8.0578 -34.40698 11.08139 
1 1 1   10   44    5 o  322.514   6.7629  360.176   15.096  366.439   27.974  357.603   17.931  325.066   12.434  321.318   8.0628 3.747894 14.81934 
1 1 1   10   44    6 o  325.253   5.7649  366.289   12.977  335.707   27.856  374.767   14.666  311.039   12.940  328.973   6.4415 -17.93353 14.45427 
1 1 1   10   44    7 o  426.960   6.0035  631.296   17.741  600.000   32.403  644.692   21.200  415.866   11.258  431.404   7.1004 -15.53809 13.31007 
1 1 1   10   44    8 o  240.165   5.7209  199.763   9.5094  155.122   21.738  210.328   10.575  210.613   15.011  246.417   6.2006 -35.80399 16.24113 
1 1 1   10   44    9 o  333.836   5.0374  385.960   11.639  349.902   26.265  394.771   12.983  317.302   11.960  337.597   5.5567 -20.29520 13.18789 
1 1 1   10   44   10 f   97.527   9.3986   33.324   6.2655   0.0000   0.0000   33.324   6.2655  ?   ?    97.527   9.3986 0.000000 9.398632 
1 1 1   10   44   11 o  335.120   4.5254  388.991   10.496  331.366   24.437  402.028   11.623  308.556   11.443  340.661   4.9298 -32.10541 12.45947 
1 1 1   10   44   12 o  217.595   9.3058  164.604   14.014  147.366   20.369  180.098   19.312  204.729   14.469  226.883   12.345 -22.15425 19.01933 
1 1 1   10   44   13 o  292.681   8.0121  297.667   16.230  292.341   23.805  302.293   22.186  289.334   11.887  294.432   10.887 -5.097809 16.11963 
1 1 1   10   44   14 o  118.374   14.925   50.071   11.956   54.927   17.353   45.683   16.497  122.244   21.283  110.964   22.255 11.28099 30.79368 
1 1 1   10   44   15 o  168.405   11.980   99.963   13.872   91.512   19.068  109.463   20.218  159.411   17.575  174.734   16.930 -15.32269 24.40268 
1 1 1   10   44   16 o   91.726   27.489   32.385   18.827   0.0000   0.0000   32.385   18.827  ?   ?    91.726   27.489 0.000000 27.48854 
1 1 1   10   46    0 o  347.201   5.5849  417.320   13.421  411.661   18.442  423.691   19.567  344.781   7.7285  349.770   8.0828 -4.989624 11.18305 
1 1 1   10   46    1 o  399.542   5.3577  552.615   14.816  540.023   20.439  566.555   21.506  394.899   7.4782  404.476   7.6823 -9.576935 10.72110 
1 1 1   10   46    3 o  328.835   5.5285  374.355   12.582  365.623   17.323  384.105   18.306  324.913   7.7035  333.016   7.9423 -8.102539 11.06452 
1 1 1   10   46    4 o  424.553   5.2467  624.013   15.417  597.990   20.913  654.990   22.816  415.525   7.2717  434.863   7.5809 -19.33759 10.50467 
1 1 1   10   46    5 o  468.496   6.2528  760.080   20.275  737.932   23.555  823.415   39.832  461.557   7.3735  487.191   11.813 -25.63379 13.92519 
1 1 1   10   46    6 o  338.658   8.6521  397.513   20.280  432.341   29.970  368.098   27.543  352.903   12.270  325.634   12.221 27.26968 17.31787 
1 1 1   10   46    7 o  434.942   5.3431  655.119   16.084  610.244   32.670  669.476   18.479  419.268   11.259  439.637   6.0731 -20.36905 12.79210 
1 1 1   10   46    8 o  266.260   6.3906  245.632   11.777  223.658   22.359  254.068   13.854  253.293   12.796  270.738   7.3936 -17.44585 14.77827 
1 1 1   10   46    9 o  213.898   6.4931  158.565   9.6125   0.0000   0.0000  158.565   9.6125  ?   ?   213.898   6.4931 0.000000 6.493077 
1 1 1   10   46   10 o   89.444   14.354   28.608   8.5853   44.010   16.829   23.190   9.9818  109.617   22.920   79.732   18.454 29.88472 29.42537 
1 1 1   10   46   11 o  248.669   4.6595  214.222   8.0194  224.098   21.399  212.609   8.6498  253.530   12.195  247.708   5.0453 5.822479 13.19751 
1 1 1   10   46   12 o   95.511   18.338   33.232   11.682   44.263   16.901   23.141   16.164  109.440   23.042   80.664   25.699 28.77602 34.51614 
1 1 1   10   46   13 o  216.676   9.6509  163.564   14.473  153.268   19.674  175.707   21.366  208.607   13.703  223.363   13.890 -14.75604 19.51120 
1 1 1   10   46   14 o   72.511   21.266   19.300   11.366   24.473   15.630   13.493   16.559   81.579   25.169   68.452   25.740 13.12730 36.00053 
1 1 1   10   46   15 o   92.868   26.736   32.985   18.115   0.0000   0.0000   32.985   18.115  ?   ?    92.868   26.736 0.000000 26.73645 
1 1 1   10   46   16 o   77.625   22.838   22.815   13.090   29.346   18.368   16.073   18.660   87.356   27.340   72.105   27.277 15.25121 38.62037 
1 1 1   10   48    0 o  290.037   8.5159  291.435   17.095   0.0000   0.0000  291.435   17.095  ?   ?   290.037   8.5159 0.000000 8.515906 
1 1 1   10   48    1 f  613.546   5.7193  1303.36   24.287  1291.30   33.925  1316.05   34.785  610.546   8.0283  616.360   8.1541 -5.814514 11.44300 
1 1 1   10   48    2 f  405.686   6.0994  569.896   17.126  531.219   27.187  595.340   22.051  391.472   10.034  414.568   7.6852 -23.09637 12.63917 
1 1 1   10   48    3 o  156.543   10.246   85.326   11.040   82.293   19.141   86.838   13.514  152.643   18.496  157.699   12.484 -5.056274 22.31453 
1 1 1   10   48    4 o  336.444   5.4437  391.950   12.676  389.223   17.387  395.043   18.520  335.182   7.4948  337.656   7.9248 -2.474243 10.90758 
1 1 1   10   48    5 o  614.908   5.6931  1309.45   24.229  1283.25   33.377  1338.63   35.228  608.515   7.9249  621.477   8.1901 -12.96124 11.39659 
1 1 1   10   48    6 o  516.258   6.4456  923.322   23.031  919.024   40.765  925.337   27.912  514.453   11.449  516.690   7.8052 -2.237427 13.85644 
1 1 1   10   48    7 o  375.969   5.4348  489.595   14.142  483.561   29.262  491.434   16.154  373.088   11.332  376.624   6.1972 -3.535339 12.91605 
1 1 1   10   48    8 o  195.751   6.9153  132.827   9.3690  148.000   20.988  129.051   10.470  205.484   14.858  192.902   7.8422 12.58170 16.80020 
1 1 1   10   48    9 o  102.539   10.284   36.905   7.2002   44.951   18.003   35.373   7.8558  110.592   24.193  100.177   11.542 10.41569 26.80542 
1 1 1   10   48   10 o  205.998   7.5122  147.251   10.710  120.634   19.990  157.969   12.685  184.951   15.767  213.274   8.5935 -28.32327 17.95645 
1 1 1   10   48   11 o  118.563   7.0512   48.955   5.7600   86.683   18.070   44.688   6.0770  156.106   17.000  113.174   7.8060 42.93180 18.70621 
1 1 1   10   48   12 o   62.263   24.606   8.3805   15.687   8.3805   15.687   0.0000   0.0000   62.263   24.606  ?   ?  0.000000 24.60638 
1 1 1   10   48   13 o  159.085   11.532   88.972   12.611   88.683   18.583   89.220   17.169  157.289   17.360  158.208   15.895 -0.9194336 23.53727 
1 1 1   10   48   14 f   92.367   20.773   31.881   12.958   13.190   18.008   51.951   18.660   69.407   26.666  117.497   23.763 -48.08956 35.71783 
1 1 1   10   48   15 o   75.215   22.949   21.064   13.037   13.029   18.708   28.649   18.177   69.421   27.039   86.872   27.199 -17.45101 38.35189 
1 1 1   10   50    0 o  145.459   10.666   73.781   10.663   68.488   12.595   87.171   20.032  139.820   13.171  157.050   18.804 -17.22964 22.95731 
1 1 1   10   50    1 o  379.220   6.1619  498.049   16.173  469.366   25.932  516.307   20.689  367.888   10.185  386.020   7.7438 -18.13275 12.79431 
1 1 1   10   50    2 o  131.111   9.9710   59.959   8.9802   57.530   12.221   62.810   13.240  127.904   14.036  133.636   14.550 -5.732170 20.21658 
1 1 1   10   50    3 o  327.860   5.5218  372.248   12.530  359.363   17.162  386.956   18.336  322.028   7.7001  334.148   7.9286 -12.12057 11.05234 
1 1 1   10   50    4 o  267.714   5.8713  248.239   10.879  236.866   14.823  261.516   16.016  261.401   8.1932  274.653   8.4256 -13.25198 11.75238 
1 1 1   10   50    5 o  623.663   6.5244  1347.62   28.162  1325.04   34.208  1395.12   49.613  618.230   7.9946  633.799   11.310 -15.56921 13.85027 
1 1 1   10   50    6 o  335.225   8.4442  389.761   19.592  393.268   27.882  386.341   27.535  336.347   11.977  333.378   11.933 2.969788 16.90749 
1 1 1   10   50    7 o  337.226   6.4164  394.123   14.976   0.0000   0.0000  394.123   14.976  ?   ?   337.226   6.4164 0.000000 6.416378 
1 1 1   10   50    8 f  203.431   7.4442  143.540   10.481   0.0000   0.0000  143.540   10.481  ?   ?   203.431   7.4442 0.000000 7.444185 
1 1 1   10   50    9 o  226.336   5.9393  177.577   9.3040  194.049   21.225  173.659   10.352  235.488   13.074  223.775   6.6837 11.71199 14.68345 
1 1 1   10   50   10 o  213.387   5.8057  157.868   8.5743  134.488   19.671  163.352   9.5269  195.446   14.649  217.022   6.3427 -21.57590 15.96277 
1 1 1   10   50   11 o  177.390   5.7617  109.130   7.0739  135.756   20.085  105.359   7.5582  196.107   14.910  174.264   6.2666 21.84335 16.17298 
1 1 1   10   50   12 o   83.092   20.255   25.592   11.543   53.951   16.987   1.2693   15.732  121.257   21.002   55.347   23.523 65.90991 31.53492 
1 1 1   10   50   13 o  179.646   11.229  113.384   13.891  106.049   19.947  120.293   19.357  172.054   16.972  183.888   15.350 -11.83441 22.88331 
1 1 1   10   50   14 o   94.576   20.881   33.572   13.303   16.815   19.651   47.746   18.073   74.370   28.026  112.109   24.016 -37.73965 36.90841 
1 1 1   10   50   15 o   79.425   23.390   24.007   13.725   18.312   20.258   28.839   18.661   75.585   28.461   86.674   27.612 -11.08906 39.65411 
1 1 1   10   52    0 o  222.878   7.5572  172.156   11.658  194.878   18.898  158.199   14.811  236.898   11.526  213.532   10.022 23.36549 15.27378 
1 1 1   10   52    1 o  447.626   5.3495  693.913   16.573  693.750   23.055  694.087   23.841  447.416   7.4453  447.503   7.6975 -0.8615112E-01 10.70906 
1 1 1   10   52    2 o  264.493   6.0575  242.332   11.089  231.912   15.204  254.173   16.208  258.620   8.4943  270.738   8.6497 -12.11853 12.12312 
1 1 1   10   52    3 o  329.646   6.1639  376.459   14.063  376.419   17.338  376.537   24.045  329.535   7.6018  329.334   10.549 0.2014771 13.00266 
1 1 1   10   52    4 o  126.067   14.484   56.070   12.408  106.829   19.649   22.400   16.003  174.208   16.493   80.315   25.569 93.89297 30.42662 
1 1 1   10   52    5 o  312.545   5.4955  338.390   11.888  322.353   16.043  357.918   17.703  304.907   7.6021  321.256   7.9621 -16.34967 11.00847 
1 1 1   10   52    6 o  109.726   10.273   42.193   7.7107   43.731   10.260   40.195   11.688  111.214   13.614  106.022   16.462 5.192307 21.36203 
1 1 1   10   52    7 o  350.725   7.5617  426.708   18.355   0.0000   0.0000  426.708   18.355  ?   ?   350.725   7.5617 0.000000 7.561709 
1 1 1   10   52    8 o  335.112   5.5278  389.192   12.821  369.317   27.760  394.581   14.455  325.498   12.323  337.361   6.1908 -11.86346 13.79026 
1 1 1   10   52    9 o   72.511   16.732   19.198   8.2262   4.2746   17.122   23.676   9.3796   60.543   25.051   80.556   17.337 -20.01278 30.46494 
1 1 1   10   52   10 o  194.471   6.2408  131.200   8.3999  163.805   20.823  124.863   9.1800  215.782   14.019  189.657   6.9935 26.12531 15.66659 
1 1 1   10   52   11 o   65.560   12.881   15.565   5.6361   19.341   16.519   15.067   5.9958   75.639   26.048   64.326   13.875 11.31297 29.51298 
1 1 1   10   52   12 o   58.762   21.907   9.8489   11.943   21.385   17.364  -0.5098   16.454   78.407   26.714   54.868   23.699 23.53883 35.71084 
1 1 1   10   52   13 o   86.830   26.283   28.380   17.149   0.0000   0.0000   28.380   17.149  ?   ?    86.830   26.283 0.000000 26.28253 
1 1 1   10   52   14 o   37.099   17.644 -14.5766   12.372 -35.0780   17.918   4.1005   17.103   38.741   19.059   59.051   24.781 -20.30913 31.26237 
1 1 1   10   54    0 o   37.516   16.438  -1.9407   8.1580   1.1982   11.095  -5.6344   12.036   47.529   19.954   43.114   19.364 4.415169 27.80506 
1 1 1   10   54    1 o  432.126   5.3854  646.804   16.107  658.628   22.359  634.050   23.221  435.878   7.4117  427.622   7.8460 8.255554 10.79320 
1 1 1   10   54    2 o   80.875   15.495   23.566   8.3576   32.049   11.381   13.640   12.312   94.181   18.118   65.228   22.486 28.95334 28.87737 
1 1 1   10   54    3 o  284.697   7.0328  280.970   13.858  296.439   24.558  273.744   16.785  291.932   12.155  280.890   8.6340 11.04166 14.90915 
1 1 1   10   54    4 o  523.322   5.4387  948.772   19.699  898.412   26.792  1008.03   29.063  508.976   7.6056  539.105   7.7891 -30.12912 10.88649 
1 1 1   10   54    5 o   87.632   13.385   27.369   7.8609   29.431   10.373   24.586   12.048   90.222   17.240   82.018   21.103 8.203560 27.24958 
1 1 1   10   54    6 o   81.044   15.272   23.699   8.2519   25.356   12.297   22.341   11.130   83.197   21.273   78.196   20.364 5.000534 29.44876 
1 1 1   10   54    7 o  439.587   6.6530  670.171   20.241  749.756   36.318  634.310   24.379  464.000   11.309  427.415   8.2411 36.58533 13.99315 
1 1 1   10   54    8 o  171.181   7.8965  101.757   9.3555   90.780   21.003  104.473   10.449  159.187   19.469  173.165   8.7470 -13.97803 21.34411 
1 1 1   10   54    9 o   31.727   14.616  -5.6481   7.4258  -2.6829   16.786  -6.3696   8.2801   54.068   23.638   33.414   15.408 20.65466 28.21631 
1 1 1   10   54   10 o  187.079   7.1928  121.570   9.3132  140.488   19.379  115.889   10.620  199.568   14.121  182.530   8.4065 17.03766 16.43408 
1 1 1   10   54   11 o  146.287   9.2855   74.885   9.3525   90.439   18.975   69.893   10.749  158.728   17.567  140.965   11.107 17.76277 20.78392 
1 1 1   10   54   12 o   28.730   12.156   0.2318   4.1701 -36.5707   19.069   2.0803   4.2735   40.388   19.827   32.493   12.843 7.894886 23.62325 
1 1 1   10   54   13 o   98.977   19.410   36.476   12.821   49.268   19.060   25.902   17.328  113.325   24.974   83.227   26.618 30.09820 36.49962 
1 1 1   10   56    0 o  152.459   8.6504   80.923   9.0902   86.989   12.405   73.888   13.359  157.746   11.440  145.011   13.465 12.73552 17.66806 
1 1 1   10   56    1 o  224.100   6.5510  174.080   10.161  164.993   13.834  184.726   14.973  218.000   9.1687  230.651   9.3794 -12.65067 13.11632 
1 1 1   10   56    2 o  103.506   14.172   38.048   9.8855   45.636   11.497   16.527   19.361  113.369   15.023   75.793   27.964 37.57582 31.74360 
1 1 1   10   56    3 o   68.595   19.494   16.961   9.6914   19.987   11.160   7.6780   19.545   74.290   20.852   67.291   27.170 6.999420 34.24953 
1 1 1   10   56    4 o  332.435   5.3818  382.924   12.383  376.074   17.018  390.632   18.051  329.254   7.4678  335.531   7.7732 -6.277588 10.77921 
1 1 1   10   56    5 o  321.328   6.5217  358.032   14.504  317.902   25.120  378.101   17.764  302.057   12.016  330.071   7.7762 -28.01376 14.31245 
1 1 1   10   56    6 o  191.667   6.6724  127.421   8.8513  113.317   12.203  143.081   12.858  180.242   9.8190  202.896   9.1565 -22.65436 13.42588 
1 1 1   10   56    7 o  241.829   6.6541  202.892   11.137  208.000   23.453  201.405   12.655  243.413   13.980  240.848   7.5918 2.564667 15.90840 
1 1 1   10   56    8 o  347.972   5.5883  419.863   13.459  448.878   28.984  411.888   15.196  358.587   11.679  344.548   6.3724 14.03897 13.30404 
1 1 1   10   56    9 o   68.992   19.972   17.330   10.083   0.0000   0.0000   17.330   10.083  ?   ?    68.992   19.972 0.000000 19.97227 
1 1 1   10   56   10 o  167.872   7.2335   97.944   8.4043  125.219   20.075   92.148   9.2543  187.737   15.591  162.517   8.2546 25.21976 17.64144 
1 1 1   10   56   11 o   54.266   16.273   10.573   6.5965  -7.7415   18.446   13.259   7.0637   52.777   23.813   60.160   16.479 -7.383183 28.95907 
1 1 1   10   56   12 o   65.498   11.685   15.506   5.1026  -6.6829   19.316   17.171   5.2905   54.535   24.509   69.053   11.472 -14.51839 27.06153 
1 1 1   10   58    0 o  173.995   9.5408  105.510   11.446   98.878   20.333  108.586   13.848  166.922   17.878  176.258   11.413 -9.335785 21.21026 
1 1 1   10   58    1 o  437.862   5.3911  664.349   16.338  673.620   23.023  654.945   23.188  440.625   7.5494  434.450   7.7116 6.175110 10.79177 
1 1 1   10   58    2 o  194.425   8.1273  131.218   10.936  127.390   13.285  139.268   19.264  191.147   10.077  199.206   14.063 -8.058655 17.30055 
1 1 1   10   58    3 o  339.998   5.4953  400.627   12.931  427.531   18.154  372.918   18.424  351.009   7.4728  327.743   8.1222 23.26563 11.03689 
1 1 1   10   58    4 o  137.832   8.8115   66.273   8.3618   70.408   11.498   61.631   12.183  141.642   11.837  132.160   13.509 9.481720 17.96117 
1 1 1   10   58    5 o   42.646   16.950   3.4102   7.4830   8.0060   10.289  -1.7500   10.903   54.346   20.319   43.908   19.127 10.43819 27.90518 
1 1 1   10   58    6 o  104.568   10.863   38.511   7.7468   32.512   10.733   45.035   11.193   94.737   16.993  112.420   14.741 -17.68283 22.49559 
1 1 1   10   58    7 o   32.038   14.435  -3.3578   6.7485   4.3956   8.9903 -13.3659   10.214   46.993   18.610   33.287   15.886 13.70560 24.46854 
1 1 1   10   58    8 o   69.201   21.580   17.111   11.455   14.795   17.895   18.719   14.910   71.561   26.788   73.701   24.756 -2.139420 36.47538 
1 1 1   10   58    9 o   57.004   18.428   11.287   8.2883   28.005   18.573   7.1308   9.2616   87.272   27.520   51.247   19.254 36.02452 33.58724 
1 1 1   10   58   10 o   84.588   15.634   26.083   8.8158   14.829   17.988   29.641   10.114   71.178   26.815   89.994   16.857 -18.81603 31.67385 
1 1 1   10   58   11 o   98.662   11.447   34.605   7.6711   0.0000   0.0000   34.605   7.6711  ?   ?    98.662   11.447 0.000000 11.44671 
1 1 1   10   60    0 o  101.820   12.629   36.720   8.7085   42.056   11.972   30.724   12.691  108.279   16.496   91.461   20.550 16.81787 26.35195 
1 1 1   10   60    1 o  184.695   10.688  119.163   13.604  118.683   20.202  119.561   18.402  183.245   16.092  184.275   14.547 -1.030426 21.69208 
1 1 1   10   60    2 o  202.515   9.4926  142.631   13.305  142.631   13.305   0.0000   0.0000  202.515   9.4926  ?   ?  0.000000 9.492578 
1 1 1   10   60    3 o   50.304   19.030   6.5333   9.0822   12.240   10.372 -12.2341   18.808   60.830   20.646   51.211   23.469 9.619331 31.25798 
1 1 1   10   60    4 o  193.193   7.6894  129.623   10.282  132.732   15.870  127.374   13.497  194.671   11.835  190.976   10.249 3.695450 15.65589 
1 1 1   10   60    5 o   54.116   17.759   9.9530   7.6840   9.3272   10.503   10.674   11.271   56.450   20.632   59.359   21.421 -2.908909 29.74103 
1 1 1   10   60    6 o   77.392   17.659   21.994   9.2499   0.6029   18.221   29.420   10.736   58.802   25.162   89.694   17.921 -30.89251 30.89136 
1 1 1   10   60    7 o   40.206   16.478   2.0729   7.3169  -8.6474   9.9145   14.895   10.843   35.665   16.589   65.226   21.076 -29.56043 26.82164 
1 1 1   10   60    8 o  149.660   11.733   78.877   12.056   76.488   20.230   80.194   15.014  144.733   20.793  150.200   14.628 -5.466949 25.42268 
1 1 1   10   60    9 o   93.460   13.194   31.300   8.2972   33.005   19.275   30.912   9.1924   93.301   27.780   92.459   14.869 0.8421936 31.50914 
1 1 1   10   60   10 o   76.813   17.112   21.849   8.8642   0.0000   0.0000   21.849   8.8642  ?   ?    76.813   17.112 0.000000 17.11187 
1 1 1   10   62    0 o  144.408   10.262   72.999   10.190   67.968   12.363   83.659   17.996  138.823   13.019  153.145   17.281 -14.32265 21.63612 
1 1 1   10   62    1 o  166.360   12.183   97.171   13.929   88.878   18.660  107.610   20.934  157.870   17.365  173.802   17.648 -15.93204 24.75838 
1 1 1   10   62    2 o  109.740   11.115   42.427   8.3256   36.562   11.447   49.012   12.131  100.532   17.062  117.176   15.325 -16.64404 22.93410 
1 1 1   10   62    3 o  177.191   8.0742  109.125   9.9019  118.976   15.386  102.161   12.937  184.123   12.142  170.781   11.004 13.34248 16.38613 
1 1 1   10   62    4 o  248.205   6.0456  213.740   10.386  219.574   14.513  207.616   14.869  251.278   8.3448  244.274   8.7947 7.003769 12.12359 
1 1 1   10   62    5 o   39.647   16.710   0.7544   7.8316   0.5766   10.910   0.9435   11.249   46.093   19.590   47.149   19.958 -1.056072 27.96568 
1 1 1   10   62    6 o   43.131   17.095   3.6865   7.5913   13.333   10.618  -6.4019   10.858   62.494   20.891   39.550   18.013 22.94357 27.58456 
1 1 1   10   62    7 o  116.134   11.084   47.592   8.8009   45.294   10.987   51.707   14.702  112.506   14.444  119.203   18.413 -6.696312 23.40215 
1 1 1   10   62    8 o   69.304   17.430   17.766   8.3523   14.868   18.802   18.478   9.3226   71.918   27.339   70.615   18.758 1.303482 33.15504 
1 1 1   10   62    9 o   66.702   18.162   16.486   8.6107   6.7561   20.717   18.518   9.4672   66.231   27.492   70.537   18.977 -4.305496 33.40554 
1 1 1   10   64    0 f  112.673   11.207   44.759   8.6237   41.784   11.616   48.412   12.872  107.766   16.065  116.050   16.490 -8.283829 23.02162 
1 1 1   10   64    1 o  262.741   6.0825  239.540   11.061  252.457   15.409  225.809   15.887  269.423   8.2633  254.687   9.0128 14.73608 12.22749 
1 1 1   10   64    2 o   49.462   19.301   5.5141   9.5457   27.683   18.410  -2.6378   11.164   87.060   27.391   43.467   19.133 43.59332 33.41210 
1 1 1   10   64    3 o   50.070   17.776   7.7688   7.7298   3.1919   10.218   13.893   11.819   47.663   19.496   64.441   22.039 -16.77804 29.42490 
1 1 1   10   64    4 o  148.846   10.019   77.637   10.262   84.414   11.985   59.024   19.861  154.990   11.250  125.949   23.653 29.04079 26.19161 
1 1 1   10   64    5 o   82.130   14.752   24.467   8.0773   13.789   11.271   35.739   11.581   63.684   21.524   98.949   17.553 -35.26490 27.77376 
1 1 1   10   64    6 o   58.230   18.921   11.817   8.7311   12.454   11.033   10.751   14.281   61.344   21.278   62.652   23.824 -1.308098 31.94295 
1 1 1   10   64    7 o  151.196   10.053   80.272   10.460   76.829   20.046   81.560   12.262  144.622   20.611  152.011   11.746 -7.388412 23.72246 
1 1 1   10   64    8 o  129.869   11.382   59.670   10.127   77.366   20.815   54.182   11.592  144.408   21.480  123.048   13.852 21.36081 25.55916 
1 1 1   10   66    0 o  228.597   6.5956  181.501   10.435  178.060   14.325  185.390   15.232  226.036   9.1570  230.572   9.5446 -4.535553 13.22687 
1 1 1   10   66    1 o   73.458   17.019   19.870   8.4834   24.054   11.779   15.362   12.228   80.406   20.954   66.839   22.419 13.56796 30.68702 
1 1 1   10   66    2 o  105.430   12.058   39.439   8.6404   30.712   12.254   48.069   12.185   90.972   20.006  115.658   15.622 -24.68572 25.38313 
1 1 1   10   66    3 o  144.157   8.8256   72.686   8.7631   81.573   12.630   64.435   12.169  152.069   12.100  134.781   13.215 17.28793 17.91785 
1 1 1   10   66    4 o   67.486   17.412   16.815   8.1867   19.816   11.750   13.984   11.413   73.335   21.655   63.981   21.658 9.354206 30.62693 
1 1 1   10   66    5 o   54.716   20.970   7.7808   11.119   7.7808   11.119   0.0000   0.0000   54.716   20.970  ?   ?  0.000000 20.97003 
1 1 1   10   66    6 o   72.704   16.191   19.522   7.9382   19.258   11.133   19.796   11.322   72.031   21.025   72.959   21.176 -0.9285965 29.84033 
1 1 1   10   68    0 o  171.097   9.3835  102.490   11.069  107.595   13.039   89.317   20.947  174.990   10.819  156.551   19.773 18.43872 22.53946 
1 1 1   10   68    1 o   88.219   17.053   28.585   10.035   11.776   16.623   38.224   12.588   66.357   25.587  101.924   18.527 -35.56637 31.59000 
1 1 1   10   68    2 o   53.466   18.416   9.4395   8.2578   16.485   11.547   2.0643   11.814   67.821   21.733   49.096   20.599 18.72501 29.94400 
1 1 1   10   68    3 o   84.290   17.699   26.292   9.9968   17.400   17.925   30.306   12.044   73.604   26.945   90.071   19.854 -16.46676 33.46966 
1 1 1   10   68    4 o  110.722   11.330   43.470   8.5605   33.894   12.158   52.885   12.055   95.491   19.064  121.339   14.652 -25.84771 24.04348 
1 1 1   11    1    0 o  323.492   4.9464  362.161   11.075  357.956   13.471  370.927   19.451  321.604   6.0521  327.363   8.5850 -5.759613 10.50383 
1 1 1   11    1    1 o  1223.54   12.164  5182.65  103.007  5268.29  148.124  5102.44  143.342  1233.36   17.352  1213.81   17.063 19.55359 24.33585 
1 1 1   11    1    2 o  1108.70   9.1269  4254.83   70.035  4249.83   85.693  4264.88  121.537  1107.99   11.175  1109.75   15.824 -1.761475 19.37165 
1 1 1   11    1    3 o  580.030   5.7786  1164.39   23.198  1181.47   28.701  1132.19   39.397  584.253   7.0977  571.891   9.9534 12.36133 12.22489 
1 1 1   11    1    4 o  611.085   5.1842  1292.43   21.926  1340.37   31.855  1249.26   30.226  622.274   7.3963  600.757   7.2694 21.51733 10.37061 
1 1 1   11    1    5 o  613.867   5.2334  1304.32   22.235  1316.87   31.681  1292.15   31.214  616.747   7.4219  610.932   7.3821 5.814941 10.46805 
1 1 1   11    1    6 o  1058.67   7.6613  3880.84   56.135  3797.38   77.625  3972.34   81.276  1046.92   10.713  1070.73   10.967 -23.81677 15.33140 
1 1 1   11    1    7 o  792.471   6.1618  2174.01   33.796  2146.35   47.294  2202.89   48.312  787.279   8.6796  797.576   8.7519 -10.29706 12.32605 
1 1 1   11    1    8 o  366.180   4.5971  464.086   11.651  476.008   16.604  452.521   16.352  370.827   6.4694  361.562   6.5346 9.265320 9.195376 
1 1 1   11    1    9 o  411.481   5.5652  586.032   15.849  572.421   19.103  616.097   28.392  406.658   6.7871  421.830   9.7247 -15.17233 11.85896 
1 1 1   11    1   10 o  806.667   6.3601  2252.29   35.509  2297.54   51.138  2210.17   49.343  814.642   9.0699  799.008   8.9228 15.63434 12.72318 
1 1 1   11    1   11 o  405.288   5.0387  568.512   14.134  563.031   20.043  573.933   19.934  403.299   7.1806  407.186   7.0733 -3.887543 10.07927 
1 1 1   11    1   12 o  1164.86   9.6788  4699.07   78.032  4710.73  135.381  4693.27   95.489  1165.45   16.784  1163.93   11.854 1.521606 20.54754 
1 1 1   11    1   13 o  401.202   6.1023  557.237   16.945  564.697   21.025  543.415   28.621  403.838   7.5224  396.048   10.442 7.790192 12.86907 
1 1 1   11    1   14 o  211.058   6.9308  154.259   10.124  149.433   14.182  159.275   14.457  207.656   9.8679  214.389   9.7433 -6.732864 13.86753 
1 1 1   11    1   15 o  223.552   6.6466  173.118   10.284  165.352   14.502  180.974   14.586  218.361   9.5956  228.462   9.2243 -10.10077 13.31028 
1 1 1   11    1   16 o  130.043   10.897   59.168   9.7171   70.884   12.249   39.278   15.960  142.188   12.577  103.651   22.862 38.53690 26.09258 
1 1 1   11    1   17 o  238.564   7.1060  197.424   11.733  227.024   20.980  183.953   14.153  255.275   11.875  230.125   8.8861 25.14961 14.83140 
1 1 1   11    1   18 o  105.706   13.052   39.661   9.3459   46.283   16.089   36.289   11.482  112.261   21.490  100.124   17.188 12.13699 27.51815 
1 1 1   11    1   19 o   43.999   18.371   1.6573   9.3284 -13.5122   16.679   8.5627   11.253   46.396   21.559   56.146   21.196 -9.749619 30.23347 
1 1 1   11    1   20 o  113.469   10.622   45.492   8.2444   48.912   11.693   42.110   11.626  116.611   14.823  107.698   16.091 8.913094 21.87765 
1 1 1   11    1   21 o  133.614   9.1357   62.820   8.3976   55.387   11.976   70.010   11.779  123.943   14.218  140.190   12.263 -16.24741 18.77578 
1 1 1   11    3    0 o  531.956   5.5710  979.337   20.511  971.043   24.960  996.585   35.994  529.688   6.8084  536.576   9.6921 -6.888306 11.84445 
1 1 1   11    3    1 f  1294.10   10.428  5797.09   93.396  5892.01  116.263  5624.39  156.823  1304.55   12.877  1274.33   17.781 30.22681 21.95370 
1 1 1   11    3    2 o  1266.30   10.234  5550.75   89.695  5583.29  110.469  5487.81  153.656  1269.91   12.569  1258.72   17.638 11.18738 21.65789 
1 1 1   11    3    3 f  360.194   4.9549  449.011   12.352  451.359   15.117  444.293   21.428  361.127   6.0482  358.265   8.6415 2.862244 10.54783 
1 1 1   11    3    4 o  585.371   5.8523  1186.00   23.710  1203.38   29.323  1153.17   40.300  589.619   7.1854  577.116   10.089 12.50305 12.38644 
1 1 1   11    3    5 o  680.908   5.5480  1604.83   26.146  1612.31   37.111  1597.45   36.842  682.411   7.8573  679.260   7.8367 3.151550 11.09739 
1 1 1   11    3    6 o  306.719   4.4927  325.625   9.5373  327.210   13.393  323.995   13.585  307.433   6.2943  305.917   6.4161 1.516235 8.988020 
1 1 1   11    3    7 o  425.769   5.3118  627.486   15.653  625.366   26.777  628.586   19.292  424.947   9.1044  426.115   6.5416 -1.168365 11.21081 
1 1 1   11    3    8 o  572.406   5.9270  1134.12   23.481  1120.11   28.547  1163.42   41.287  568.828   7.2511  579.614   10.292 -10.78662 12.58984 
1 1 1   11    3    9 o  1258.44   8.8867  5482.81   77.402  5531.71  110.438  5435.61  108.514  1263.77   12.626  1252.75   12.515 11.01672 17.77800 
1 1 1   11    3   10 o  919.317   6.9579  2925.40   44.271  3025.82   64.765  2837.32   60.655  934.840   10.010  905.267   9.6808 29.57330 13.92530 
1 1 1   11    3   11 o  986.473   7.3524  3368.66   50.199  3386.77   71.401  3350.96   70.589  988.960   10.432  983.722   10.368 5.237976 14.70752 
1 1 1   11    3   12 o  380.971   5.1844  502.369   13.670  505.160   19.310  499.565   19.355  381.988   7.3038  379.865   7.3619 2.122589 10.37029 
1 1 1   11    3   13 o  138.457   9.7590   66.735   9.2920   72.595   13.299   61.146   12.988  144.072   13.494  131.999   14.453 12.07321 19.77344 
1 1 1   11    3   14 o   81.535   18.384   24.034   10.127   25.972   12.507   20.346   17.256   84.715   21.342   78.969   26.632 5.745728 34.12770 
1 1 1   11    3   15 o  541.624   5.4533  1015.87   20.442  1007.33   28.678  1024.70   29.148  539.158   7.6852  543.783   7.7447 -4.625061 10.91066 
1 1 1   11    3   16 o  209.386   6.6654  151.953   9.6594  154.409   13.686  149.515   13.635  210.913   9.3752  207.536   9.4929 3.377350 13.34206 
1 1 1   11    3   17 o  143.266   8.8601   71.566   8.7422   66.721   12.546   76.139   12.188  137.638   13.338  147.335   12.058 -9.696564 17.98038 
1 1 1   11    3   18 o   82.878   20.887   25.367   11.977   21.234   17.505   29.005   16.422   78.906   26.822   88.584   25.443 -9.678040 36.97026 
1 1 1   11    3   19 o   68.761   18.855   17.398   9.2421   25.397   11.810   4.7615   14.844   82.596   20.701   57.067   23.439 25.52844 31.27121 
1 1 1   11    3   20 o  156.812   8.3166   85.987   8.9939   90.009   13.158   82.459   12.322  159.571   12.002  152.764   11.744 6.806549 16.79191 
1 1 1   11    3   21 o   45.881   17.639   5.4186   7.8829 -11.8687   11.345   21.554   10.961   36.368   17.177   75.322   20.484 -38.95384 26.73280 
1 1 1   11    5    0 o  1346.75   10.811  6278.54  100.770  6192.02  121.591  6468.29  180.074  1337.34   13.137  1366.50   19.040 -29.15796 23.13199 
1 1 1   11    5    1 o  392.802   5.0179  533.979   13.642  520.435   16.442  563.903   24.438  387.781   6.1262  403.629   8.7480 -15.84772 10.67978 
1 1 1   11    5    2 o  1345.45   10.791  6266.65  100.485  6237.42  122.477  6326.83  175.753  1342.19   13.185  1351.40   18.791 -9.215332 22.95471 
1 1 1   11    5    3 o  526.133   6.7914  958.104   24.730  958.104   24.730   0.0000   0.0000  526.133   6.7914  ?   ?  0.000000 6.791375 
1 1 1   11    5    4 o  228.472   6.6654  180.683   10.540  163.805   14.730  198.390   15.088  217.509   9.7850  239.381   9.1065 -21.87164 13.36692 
1 1 1   11    5    5 o  532.721   5.6730  982.341   20.917  968.784   25.288  1011.71   37.218  528.998   6.9069  540.476   9.9495 -11.47772 12.11188 
1 1 1   11    5    6 o  607.277   5.2286  1276.57   21.976  1287.93   31.216  1265.40   30.943  609.888   7.3952  604.529   7.3955 5.358948 10.45859 
1 1 1   11    5    7 o  514.365   5.6297  915.816   20.042  922.274   24.715  903.415   34.250  516.140   6.9186  510.735   9.6893 5.404968 11.90583 
1 1 1   11    5    8 o  740.701   5.9211  1899.04   30.354  1937.97   43.678  1862.67   42.214  748.167   8.4351  733.492   8.3155 14.67523 11.84475 
1 1 1   11    5    9 o  1051.21   7.6609  3825.27   55.737  3880.36   79.926  3773.11   77.768  1058.58   10.909  1043.85   10.764 14.72302 15.32567 
1 1 1   11    5   10 o  1219.82   8.6789  5151.14   73.272  5212.03  104.959  5093.26  102.335  1226.76   12.362  1212.72   12.192 14.04443 17.36282 
1 1 1   11    5   11 o  1077.58   9.1114  4020.34   67.953  4232.19  124.707  3930.87   81.042  1105.00   16.306  1065.40   10.991 39.59631 19.66428 
1 1 1   11    5   12 o  494.952   5.2304  847.946   17.918  862.788   25.633  833.766   25.055  499.209   7.4190  490.743   7.3767 8.466461 10.46218 
1 1 1   11    5   13 o  518.662   5.3596  931.209   19.239  937.284   27.348  925.257   27.071  520.271   7.5948  516.924   7.5667 3.347412 10.72084 
1 1 1   11    5   14 o  459.637   5.2953  731.406   16.845  725.590   23.823  737.222   23.823  457.708   7.5203  461.366   7.4605 -3.657135 10.59318 
1 1 1   11    5   15 o  391.788   5.3606  531.548   14.536  537.555   20.638  525.635   20.476  393.863   7.5710  389.470   7.5963 4.393066 10.72492 
1 1 1   11    5   16 o  237.788   6.1454  195.932   10.114  199.016   14.429  192.953   14.180  239.493   8.7052  235.818   8.6883 3.674881 12.29903 
1 1 1   11    5   17 o  183.398   8.4415  116.799   10.715  114.244   19.202  117.955   12.912  179.989   15.567  183.881   10.186 -3.892181 18.60349 
1 1 1   11    5   18 o   74.297   15.740   20.122   7.8419   9.6419   11.426   29.455   10.782   58.098   21.472   89.801   17.975 -31.70361 28.00329 
1 1 1   11    5   19 o   93.245   13.008   31.088   8.1664   40.761   12.249   23.349   10.957  105.903   17.310   79.280   19.976 26.62328 26.43288 
1 1 1   11    5   20 o  191.983   8.1751  128.506   10.863  108.537   19.733  137.188   13.011  173.704   16.617  198.106   9.4895 -24.40190 19.13537 
1 1 1   11    5   21 o  108.508   16.602   43.265   12.071   43.265   12.071   0.0000   0.0000  108.508   16.602  ?   ?  0.000000 16.60173 
1 1 1   11    7    0 o  973.620   7.1418  3280.88   48.126  3161.71   65.638  3419.42   70.771  955.709   9.9233  993.885   10.288 -38.17590 14.29403 
1 1 1   11    7    1 o  1225.68   9.9588  5200.27   84.481  5277.46  104.995  5058.54  142.275  1234.64   12.287  1208.51   17.010 26.12915 20.98348 
1 1 1   11    7    2 o  584.546   5.0543  1182.56   20.448  1181.70   28.888  1183.41   28.948  584.310   7.1432  584.732   7.1530 -0.4211426 10.10895 
1 1 1   11    7    3 o  531.036   4.8451  975.972   17.808  969.604   25.108  982.418   25.260  529.274   6.8542  532.760   6.8506 -3.486206 9.690779 
1 1 1   11    7    4 o  730.364   5.8033  1846.36   29.335  1811.95   40.808  1883.15   42.200  723.454   8.1499  737.526   8.2672 -14.07281 11.60897 
1 1 1   11    7    5 o  570.656   5.0463  1127.19   19.931  1163.20   28.725  1093.76   27.677  579.633   7.1603  562.066   7.1146 17.56671 10.09397 
1 1 1   11    7    6 o  680.593   7.8730  1603.98   37.086  1603.98   37.086   0.0000   0.0000  680.593   7.8730  ?   ?  0.000000 7.873013 
1 1 1   11    7    7 o  722.517   5.8097  1807.01   29.052  1798.19   40.856  1816.04   41.320  720.654   8.1913  724.219   8.2436 -3.564453 11.62128 
1 1 1   11    7    8 o  1111.80   9.2063  4279.94   70.841  4373.66  124.835  4235.42   86.037  1123.29   16.057  1105.86   11.241 17.43213 19.60080 
1 1 1   11    7    9 o  227.049   5.5455  178.426   8.7144  175.924   12.394  180.872   12.255  225.432   7.9435  228.583   7.7465 -3.150696 11.09537 
1 1 1   11    7   10 o  1103.30   9.2013  4214.28   70.262  4313.66  124.099  4167.40   85.239  1115.73   16.071  1097.03   11.227 18.70435 19.60352 
1 1 1   11    7   11 o  243.062   5.8136  204.490   9.7800  191.189   14.002  217.161   13.666  234.995   8.6089  250.457   7.8840 -15.46234 11.67348 
1 1 1   11    7   12 o  232.366   7.2162  186.930   11.605  200.049   21.268  181.367   13.849  239.927   12.854  228.859   8.7433 11.06801 15.54603 
1 1 1   11    7   13 o  681.131   5.8922  1606.10   27.777  1604.76   39.376  1607.42   39.190  680.717   8.3577  681.285   8.3113 -0.5682373 11.78679 
1 1 1   11    7   14 o  364.917   6.0960  461.089   15.396  470.213   19.186  444.585   25.802  368.455   7.5236  358.131   10.410 10.32422 12.84402 
1 1 1   11    7   15 o  208.891   8.0908  151.243   11.697  160.278   14.454  134.098   19.912  214.963   9.7152  195.779   14.805 19.18452 17.70786 
1 1 1   11    7   16 o  316.801   5.4495  347.683   11.949  389.355   17.669  312.568   16.220  335.079   7.6189  300.209   7.8062 34.86993 10.90799 
1 1 1   11    7   17 f   70.536   19.576   18.070   9.8938   18.125   12.161   17.961   17.015   71.572   22.221   74.951   26.398 -3.378990 34.50578 
1 1 1   11    7   18 o  248.167   5.9093  213.620   10.150  217.672   14.687  209.915   14.043  250.204   8.4814  245.736   8.2566 4.467819 11.83665 
1 1 1   11    7   19 o  103.135   13.313   37.968   9.2810   28.351   17.091   41.989   11.052   87.194   26.204  108.076   15.196 -20.88168 30.29140 
1 1 1   11    7   20 f   99.401   14.214   35.632   9.5006   37.535   12.419   32.946   14.752  100.785   18.485   93.050   23.030 7.734604 29.53116 
1 1 1   11    7   21 o   45.864   17.813   5.1776   8.1021  -3.6604   11.601   13.594   11.321   42.840   19.142   62.510   21.561 -19.67079 28.83204 
1 1 1   11    9    0 o  1049.31   7.5757  3810.95   55.017  3707.32   75.713  3926.88   80.084  1034.85   10.571  1065.05   10.864 -30.19299 15.15839 
1 1 1   11    9    1 o  646.624   6.1980  1447.12   27.738  1415.55   33.418  1517.07   49.737  639.510   7.5501  661.979   10.856 -22.46893 13.22312 
1 1 1   11    9    2 o  718.833   5.7222  1788.37   28.469  1782.28   40.152  1794.52   40.371  717.564   8.0848  720.024   8.1011 -2.459900 11.44513 
1 1 1   11    9    3 o  1074.81   8.9302  3999.29   66.431  3956.10  114.095  4021.44   81.709  1068.58   15.427  1077.68   10.955 -9.100586 18.92096 
1 1 1   11    9    4 o  240.423   4.5260  200.060   7.5313  183.318   10.464  218.052   10.848  230.125   6.5700  250.984   6.2448 -20.85960 9.064348 
1 1 1   11    9    5 o  403.088   5.1328  562.416   14.319  565.028   17.759  557.561   24.209  403.996   6.3514  401.248   8.7176 2.747620 10.78590 
1 1 1   11    9    6 o  395.139   4.5470  540.427   12.435  573.746   17.991  509.949   17.207  407.098   6.3853  383.795   6.4778 23.30225 9.095826 
1 1 1   11    9    7 o  1168.88   9.6206  4731.48   77.831  4655.17   93.602  4902.44  140.107  1159.23   11.666  1188.92   17.027 -29.69202 20.64012 
1 1 1   11    9    8 o  1252.88   10.196  5435.52   88.409  5419.31  108.087  5468.29  153.674  1250.81   12.485  1255.85   17.680 -5.039063 21.64427 
1 1 1   11    9    9 o  474.934   5.6333  780.700   18.517  790.732   31.438  775.372   22.913  477.903   9.5048  473.289   6.9950 4.613586 11.80134 
1 1 1   11    9   10 o  649.337   5.5780  1459.35   25.069  1497.78   36.316  1424.36   34.647  657.777   7.9771  641.457   7.8041 16.31995 11.15967 
1 1 1   11    9   11 f  588.667   5.4271  1199.41   22.111  1215.09   31.659  1184.49   30.896  592.443   7.7209  584.938   7.6316 7.505127 10.85606 
1 1 1   11    9   12 o  520.867   5.2856  939.083   19.055  956.724   27.335  922.408   26.576  525.673   7.5131  516.162   7.4392 9.510986 10.57301 
1 1 1   11    9   13 o  578.178   7.7894  1157.62   31.171  1171.71   45.701  1145.37   42.623  581.463   11.356  574.936   10.712 6.527405 15.61074 
1 1 1   11    9   14 o  368.767   5.3564  470.816   13.671  486.643   19.792  456.374   18.906  374.825   7.6294  362.986   7.5255 11.83936 10.71636 
1 1 1   11    9   15 o  178.806   7.4226  110.795   9.1857  113.848   13.491  108.156   12.542  180.789   10.832  176.249   10.327 4.540268 14.96564 
1 1 1   11    9   16 o  136.768   19.397   66.878   17.846   0.0000   0.0000   66.878   17.846  ?   ?   136.768   19.397 0.000000 19.39687 
1 1 1   11    9   17 o  287.663   5.6266  286.823   11.202  290.888   16.080  282.990   15.615  289.454   8.0268  285.512   7.9020 3.942139 11.26368 
1 1 1   11    9   18 o  105.640   11.151   39.366   8.0296   37.723   11.734   40.814   11.011  102.068   17.224  106.714   15.350 -4.645920 23.07159 
1 1 1   11    9   19 o   72.065   16.278   19.097   7.9275   22.431   11.611   16.186   10.850   77.675   21.066   67.156   21.012 10.51897 29.75351 
1 1 1   11    9   20 o   95.843   15.184   33.368   9.7364   37.741   17.983   31.555   11.581   98.832   25.956   92.097   18.804 6.734802 32.05177 
1 1 1   11    9   21 o   63.529   17.986   15.086   8.2659   16.905   12.276   13.578   11.180   68.029   22.452   62.331   21.431 5.697781 31.03856 
1 1 1   11   11    0 o  440.483   4.5820  671.490   13.969  631.334   19.117  717.491   20.462  427.093   6.4673  455.303   6.4932 -28.21017 9.164511 
1 1 1   11   11    1 o  990.917   8.3656  3398.92   57.373  3382.56   69.908  3432.68  100.413  988.462   10.219  995.548   14.573 -7.085754 17.79872 
1 1 1   11   11    2 o  511.038   4.8094  903.858   17.010  870.360   23.494  940.766   24.661  501.453   6.7694  521.340   6.8347 -19.88666 9.619658 
1 1 1   11   11    3 o  630.373   6.1536  1375.44   26.847  1357.33   32.399  1415.12   47.960  626.175   7.4759  639.246   10.840 -13.07074 13.16809 
1 1 1   11   11    4 o  413.108   4.5413  590.675   12.984  592.360   18.198  588.928   18.531  413.663   6.3563  412.460   6.4916 1.203247 9.085301 
1 1 1   11   11    5 o  1074.41   7.7457  3997.19   57.598  3987.56   81.295  4006.90   81.618  1072.79   10.949  1075.39   10.966 -2.595825 15.49608 
1 1 1   11   11    6 f  830.336   6.3646  2386.80   36.577  2406.40   52.098  2367.75   51.364  833.580   9.0302  826.863   8.9753 6.716858 12.73186 
1 1 1   11   11    7 o  1164.52   8.2920  4695.17   66.832  4694.75   94.533  4695.60   94.496  1164.18   11.732  1164.29   11.727 -0.1071777 16.58806 
1 1 1   11   11    8 o  1545.05   15.058  8271.90  161.022  8736.58  240.207  7892.68  216.997  1586.70   21.873  1508.33   20.787 78.37646 30.17478 
1 1 1   11   11    9 o  1390.73   9.7023  6696.37   93.389  6765.95  133.507  6629.71  130.681  1397.59   13.802  1383.46   13.648 14.12781 19.41048 
1 1 1   11   11   10 o  531.160   5.1535  976.470   18.945  995.226   27.285  959.009   26.326  536.197   7.3523  526.353   7.2266 9.844177 10.30923 
1 1 1   11   11   11 o  1276.41   9.0341  5641.12   79.809  5735.23  114.882  5553.33  110.954  1286.64   12.901  1266.10   12.662 20.54236 18.07635 
1 1 1   11   11   12 o  508.777   5.2322  895.999   18.424  917.611   26.573  875.990   25.568  514.812   7.4578  503.005   7.3442 11.80728 10.46692 
1 1 1   11   11   13 o  375.233   5.2628  487.406   13.668  501.154   19.960  475.269   18.754  380.422   7.5809  370.476   7.3141 9.946198 10.53403 
1 1 1   11   11   14 o  277.801   6.7489  267.272   12.976  284.780   24.718  260.611   15.246  286.487   12.466  274.273   8.0315 12.21402 14.82926 
1 1 1   11   11   15 o  513.734   5.4283  914.041   19.301  953.000   28.558  881.281   26.187  524.341   7.8693  504.263   7.5034 20.07813 10.87323 
1 1 1   11   11   16 o  258.316   5.9278  231.226   10.598  211.999   14.907  250.874   15.070  247.150   8.7149  268.910   8.0968 -21.76019 11.89575 
1 1 1   11   11   17 o  499.846   6.2329  866.368   21.563  883.991   26.483  831.707   37.140  504.658   7.5821  488.701   10.981 15.95670 13.34393 
1 1 1   11   11   18 o  118.434   10.111   49.234   8.2082   34.488   11.807   63.027   11.419   97.230   18.215  133.667   12.488 -36.43736 22.08438 
1 1 1   11   11   19 o  271.892   6.6065  256.844   12.432  283.325   16.168  218.537   19.446  285.260   8.1890  249.857   11.245 35.40350 13.91074 
1 1 1   11   11   20 o  179.664   7.4344  112.438   9.2446  121.579   13.567  104.514   12.631  185.915   10.587  172.315   10.643 13.59961 15.01222 
1 1 1   11   11   21 o   76.743   20.335   22.496   10.974   16.532   18.086   25.971   13.806   71.433   26.893   81.883   23.266 -10.45005 35.56053 
1 1 1   11   13    0 o  720.890   5.7790  1798.68   28.834  1746.36   39.816  1856.38   41.812  710.275   8.0994  732.302   8.2496 -22.02710 11.56093 
1 1 1   11   13    1 o  1397.25   11.197  6760.33  108.278  6674.76  130.832  6946.34  192.907  1388.17   13.617  1415.42   19.692 -27.24561 23.94161 
1 1 1   11   13    2 o  718.055   6.6651  1784.74   33.124  1732.15   39.481  1909.76   60.873  707.354   8.0643  742.569   11.844 -35.21527 14.32904 
1 1 1   11   13    3 o  765.865   8.5066  2030.89   45.090   0.0000   0.0000  2030.89   45.090  ?   ?   765.865   8.5066 0.000000 8.506571 
1 1 1   11   13    4 o  508.721   5.5192  895.843   19.433  877.307   23.672  934.146   34.029  503.393   6.7945  519.338   9.4672 -15.94434 11.65303 
1 1 1   11   13    5 o  448.325   4.6457  695.710   14.415  684.664   20.182  707.214   20.597  444.704   6.5571  451.967   6.5845 -7.263031 9.292531 
1 1 1   11   13    6 o  491.435   4.7962  835.914   16.313  832.637   23.098  839.175   23.043  490.423   6.8049  492.346   6.7624 -1.922882 9.593523 
1 1 1   11   13    7 o  1505.97   10.389  7854.00  108.285  7982.98  155.823  7733.54  150.589  1517.72   14.834  1493.86   14.565 23.86072 20.78905 
1 1 1   11   13    8 o   82.593   10.661   24.014   5.9521   13.409   8.2847   35.328   8.5571   61.729   18.171  100.204   12.618 -38.47526 22.12246 
1 1 1   11   13    9 o  653.890   7.8949  1480.10   35.730  1480.10   35.730   0.0000   0.0000  653.890   7.8949  ?   ?  0.000000 7.894940 
1 1 1   11   13   10 o  827.374   6.4653  2369.47   37.023  2473.41   54.494  2280.37   50.455  845.221   9.3154  811.581   8.9825 33.64008 12.94066 
1 1 1   11   13   11 o  928.449   7.0215  2984.11   45.119  3033.07   64.840  2938.16   62.824  935.864   10.010  921.115   9.8545 14.74945 14.04710 
1 1 1   11   13   12 o  1039.44   8.8326  3741.67   63.543  3782.57   78.931  3666.34  107.116  1044.91   10.914  1028.22   15.052 16.69128 18.59239 
1 1 1   11   13   13 o   47.665   18.059   5.5796   8.1868   13.983   12.521  -0.6955   10.820   66.264   22.684   45.147   19.356 21.11712 29.81972 
1 1 1   11   13   14 o  594.107   5.5621  1222.14   22.871  1286.76   33.858  1167.92   31.017  609.423   8.0271  580.624   7.7183 28.79950 11.13584 
1 1 1   11   13   15 o  374.049   5.3502  484.571   13.851  469.266   20.153  498.272   19.068  367.917   7.9142  379.170   7.2662 -11.25320 10.74393 
1 1 1   11   13   16 o   56.801   17.927   11.160   7.8800   1.1999   11.522   19.913   10.801   48.292   20.307   74.093   20.411 -25.80161 28.79180 
1 1 1   11   13   17 o  409.491   5.2157  581.135   14.782  591.966   21.182  570.853   20.638  412.979   7.4108  405.556   7.3527 7.422272 10.43946 
1 1 1   11   13   18 o   87.427   19.151   28.150   11.267   28.150   11.267   0.0000   0.0000   87.427   19.151  ?   ?  0.000000 19.15090 
1 1 1   11   13   19 o   64.966   17.337   15.542   7.9401   9.6878   11.592   20.716   10.898   58.000   21.590   74.691   20.472 -16.69157 29.75310 
1 1 1   11   13   20 o  168.020   7.7507   98.411   9.0132  104.142   13.067   93.210   12.449  171.862   11.044  162.529   11.134 9.332718 15.68213 
1 1 1   11   13   21 o   71.537   16.708   19.215   8.1229   23.933   12.115   15.361   10.949   78.829   21.576   64.819   21.195 14.01042 30.24466 
1 1 1   11   15    0 o  746.289   5.9334  1927.78   30.647  1845.33   41.756  2024.05   45.121  730.081   8.2636  764.606   8.5265 -34.52576 11.87383 
1 1 1   11   15    2 o  318.337   5.2936  350.763   11.663  337.083   13.802  384.927   21.812  312.053   6.3905  333.402   9.4524 -21.34949 11.40991 
1 1 1   11   15    3 o  299.174   8.7073  309.951   18.029   0.0000   0.0000  309.951   18.029  ?   ?   299.174   8.7073 0.000000 8.707269 
1 1 1   11   15    4 o  638.620   5.3879  1411.76   23.814  1387.77   33.275  1436.95   34.098  633.078   7.5942  644.196   7.6477 -11.11719 10.77767 
1 1 1   11   15    5 o  855.616   6.5017  2534.41   38.502  2507.09   53.986  2562.69   54.927  850.827   9.1677  860.204   9.2259 -9.376770 13.00631 
1 1 1   11   15    6 o  927.205   6.9163  2976.14   44.384  2952.22   62.449  3000.56   63.092  923.307   9.7725  930.835   9.7932 -7.528076 13.83502 
1 1 1   11   15    7 o  884.669   7.6816  2709.35   47.034  2773.66   82.511  2678.40   57.245  894.781   13.324  879.521   9.4040 15.25934 16.30801 
1 1 1   11   15    8 o  1455.21   10.076  7332.15  101.486  7289.69  142.710  7375.59  144.350  1450.61   14.214  1459.12   14.294 -8.513062 20.15837 
1 1 1   11   15    9 o  1053.90   7.6872  3844.83   56.072  3951.56   81.518  3748.98   77.250  1068.26   11.025  1040.54   10.727 27.72620 15.38255 
1 1 1   11   15   10 o  413.079   5.8462  590.608   16.714  591.944   20.310  587.805   29.422  413.526   7.0961  412.010   10.318 1.515686 12.52237 
1 1 1   11   15   11 f  412.331   5.6373  588.495   16.088  592.839   20.207  580.976   26.586  413.822   7.0554  409.601   9.3781 4.220673 11.73570 
1 1 1   11   15   12 o  333.942   5.2018  386.015   12.023  397.786   17.730  375.994   16.358  338.945   7.5579  329.539   7.1722 9.406128 10.41930 
1 1 1   11   15   13 o  692.730   5.9402  1661.41   28.480  1715.01   41.604  1614.15   39.070  703.640   8.5430  682.657   8.2692 20.98199 11.88957 
1 1 1   11   15   14 o  190.855   7.8897  126.209   10.422  125.024   18.386  126.770   12.650  189.174   14.145  191.223   9.5583 -2.048309 17.07181 
1 1 1   11   15   15 o  267.552   5.7774  247.972   10.698  250.732   15.674  245.564   14.639  268.884   8.4222  266.130   7.9476 2.754364 11.58007 
1 1 1   11   15   16 o  357.541   5.2922  442.905   13.096  438.713   18.844  446.821   18.213  355.615   7.6562  358.923   7.3317 -3.308014 10.60052 
1 1 1   11   15   17 o  315.591   5.3819  345.229   11.755  323.020   16.721  366.931   16.530  304.979   7.9218  325.129   7.3456 -20.14963 10.80340 
1 1 1   11   15   18 o   53.230   17.891   9.4653   7.7870   7.0208   11.391   11.610   10.669   54.453   21.129   59.937   20.917 -5.483372 29.73164 
1 1 1   11   15   19 o  235.028   6.2049  191.871   10.093  169.818   14.169  214.587   14.381  220.600   9.2805  248.171   8.3725 -27.57152 12.49904 
1 1 1   11   15   20 o   95.099   14.232   32.743   9.0792   31.668   15.944   33.258   11.045   90.660   24.727   94.882   17.462 -4.222092 30.27109 
1 1 1   11   17    0 o  211.403   5.3181  154.692   7.7811  132.352   10.657  180.205   11.388  195.516   7.8751  228.149   7.2121 -32.63277 10.67856 
1 1 1   11   17    1 o  375.142   4.6370  487.099   12.040  457.424   16.432  521.490   17.690  363.503   6.5316  388.123   6.5854 -24.62079 9.275164 
1 1 1   11   17    2 o  601.933   7.4039  1254.48   30.845  1254.48   30.845   0.0000   0.0000  601.933   7.4039  ?   ?  0.000000 7.403896 
1 1 1   11   17    4 o  791.771   6.1731  2170.24   33.828  2109.60   46.753  2236.87   49.008  780.491   8.6549  803.678   8.8106 -23.18719 12.35047 
1 1 1   11   17    5 o  796.329   6.1956  2195.17   34.147  2213.53   48.728  2177.45   47.866  799.525   8.8058  792.987   8.7214 6.538086 12.39372 
1 1 1   11   17    6 o  838.415   7.3793  2433.46   42.821  2453.66   74.183  2423.36   52.439  841.583   12.736  836.596   9.0565 4.986938 15.62766 
1 1 1   11   17    7 o  402.107   4.6246  559.606   12.871  557.042   18.310  562.111   18.096  401.159   6.5945  402.982   6.4880 -1.822601 9.251062 
1 1 1   11   17    8 o  1510.77   10.433  7902.79  109.094  7971.77  155.941  7836.66  152.676  1516.92   14.853  1504.03   14.667 12.88965 20.87424 
1 1 1   11   17    9 o  800.113   6.2815  2215.84   34.785  2280.34   50.535  2157.76   47.953  811.588   8.9966  789.480   8.7760 22.10742 12.56811 
1 1 1   11   17   10 o  378.422   5.4981  495.659   14.400  515.417   18.569  465.854   22.807  385.869   6.9532  366.810   8.9836 19.05917 11.36006 
1 1 1   11   17   11 o   87.591   15.681   27.409   9.1574   26.971   10.931   28.439   16.769   86.495   18.797   89.432   25.717 -2.937813 31.85414 
1 1 1   11   17   12 o  550.429   5.3439  1048.77   20.358  1108.80   30.096  998.121   27.642  565.874   7.6844  536.899   7.4387 28.97516 10.69500 
1 1 1   11   17   13 o  429.940   5.7790  639.985   17.196  653.171   29.782  633.390   21.062  434.145   9.9116  427.666   7.1158 6.478760 12.20144 
1 1 1   11   17   14 o  378.488   5.2473  496.034   13.746  482.842   19.869  508.143   19.036  373.292   7.6906  382.979   7.1816 -9.687378 10.52238 
1 1 1   11   17   15 o   57.097   17.639   11.365   7.6734   15.038   11.555   8.4668   10.263   66.629   21.773   55.224   20.363 11.40528 29.81066 
1 1 1   11   17   16 o  377.352   5.1693  493.352   13.501  511.417   19.736  477.464   18.508  383.956   7.4268  371.018   7.2077 12.93793 10.34930 
1 1 1   11   17   17 o  198.918   7.3206  137.365   10.079  155.930   13.514  114.098   15.129  211.737   9.2216  180.384   12.190 31.35365 15.28474 
1 1 1   11   17   18 o  275.557   5.7052  263.433   10.881  256.606   15.919  269.419   14.906  271.549   8.4703  278.375   7.7367 -6.825714 11.47175 
1 1 1   11   17   19 o   36.041   16.352  -4.7981   8.8394   10.917   16.283 -11.3640   10.525   65.047   25.256   35.105   16.569 29.94213 30.20609 
1 1 1   11   17   20 f   97.870   12.431   34.324   8.2306   31.140   12.041   37.116   11.277   90.989   19.691  100.511   16.803 -9.522118 25.88639 
1 1 1   11   19    0 o  1048.72   8.8206  3808.89   64.023  3622.44  105.347  3918.09   80.619  1022.02   14.893  1063.43   10.953 -41.41479 18.48738 
1 1 1   11   19    1 o  764.135   7.0063  2021.61   37.054  1942.72   43.884  2217.56   69.158  748.992   8.4656  799.889   12.492 -50.89636 15.09043 
1 1 1   11   19    2 o  544.009   5.0692  1024.41   19.086  967.976   25.968  1090.70   28.148  528.748   7.0961  561.261   7.2461 -32.51282 10.14201 
1 1 1   11   19    3 o  770.623   6.1008  2055.84   32.539  1997.70   44.773  2120.91   47.371  759.519   8.5173  782.574   8.7460 -23.05560 12.20802 
1 1 1   11   19    4 o  216.378   5.1679  162.058   7.7394  151.758   11.045  171.994   10.848  209.361   7.6222  222.891   7.0322 -13.53021 10.37064 
1 1 1   11   19    5 o  525.626   5.6540  956.312   20.569  955.610   35.108  956.678   25.381  525.318   9.6563  525.695   6.9758 -0.3772583 11.91243 
1 1 1   11   19    6 o  532.811   4.9962  982.561   18.424  965.965   25.986  999.336   26.126  528.251   7.1077  537.300   7.0254 -9.048950 9.993752 
1 1 1   11   19    7 o  1123.16   8.0670  4366.94   62.709  4475.04   91.047  4269.38   86.495  1136.77   11.572  1110.36   11.255 26.40784 16.14299 
1 1 1   11   19    8 o  343.294   4.6959  407.875   11.157  434.088   16.592  386.236   15.075  354.133   6.7695  334.047   6.5203 20.08600 9.398941 
1 1 1   11   19    9 o  971.627   7.2194  3267.90   48.549  3306.10   69.589  3231.67   67.765  977.147   10.290  966.093   10.135 11.05414 14.44260 
1 1 1   11   19   10 o  469.754   4.9431  763.764   16.071  767.748   22.947  759.929   22.515  470.937   7.0403  468.535   6.9431 2.402191 9.888028 
1 1 1   11   19   11 o   72.846   14.186   19.029   6.8952   12.762   9.9681   24.780   9.5482   61.880   20.223   82.989   17.189 -21.10878 26.54096 
1 1 1   11   19   12 o  625.233   5.5882  1353.27   24.182  1416.59   35.599  1299.01   32.951  639.573   8.0421  612.471   7.7734 27.10168 11.18486 
1 1 1   11   19   13 o  228.608   6.1702  180.964   9.7627  179.020   14.479  182.584   13.220  227.294   9.2037  229.573   8.3203 -2.279007 12.40706 
1 1 1   11   19   14 o  611.869   5.5942  1296.56   23.690  1344.50   34.701  1254.72   32.421  622.825   8.0501  601.701   7.7853 21.12402 11.19884 
1 1 1   11   19   15 o   92.428   12.294   30.234   7.6693   27.206   11.598   32.587   10.224   86.390   19.818   95.342   16.065 -8.951508 25.51138 
1 1 1   11   19   16 o  303.717   5.8893  319.740   12.380  327.008   15.980  308.829   19.579  306.991   7.5208  298.101   9.4896 8.890137 12.10848 
1 1 1   11   19   17 o   47.484   18.266   5.3983   8.4560   49.756   18.154  -6.8930   9.5561  116.019   23.415   36.224   16.648 79.79462 28.73008 
1 1 1   11   19   18 o   91.002   12.640   29.563   7.7462   25.582   11.586   32.782   10.417   82.992   20.331   95.016   16.435 -12.02365 26.14280 
1 1 1   11   19   19 o  143.609   8.7407   72.203   8.6464   76.913   12.936   68.400   11.624  147.285   12.818  138.993   12.207 8.291428 17.70098 
1 1 1   11   19   20 o   58.539   18.191   12.424   8.1475   13.255   11.615   11.620   11.432   62.458   21.823   59.921   21.580 2.536644 30.69129 
1 1 1   11   21    0 o  220.471   10.514  168.390   16.043  168.390   16.043   0.0000   0.0000  220.471   10.514  ?   ?  0.000000 10.51385 
1 1 1   11   21    1 o  1006.67   8.5741  3509.41   59.738  3246.34   96.016  3675.55   76.305  967.587   14.338  1030.02   10.704 -62.43304 17.89235 
1 1 1   11   21    2 o  770.250   6.1162  2053.81   32.605  2017.68   45.428  2092.20   46.825  763.316   8.5990  777.277   8.7042 -13.96094 12.23539 
1 1 1   11   21    3 o  307.899   5.5173  328.152   11.757  321.335   14.156  343.317   21.113  304.666   6.7131  314.850   9.6888 -10.18475 11.78720 
1 1 1   11   21    4 o  258.695   5.5374  231.643   9.9145  235.805   16.720  229.386   12.313  260.956   9.2573  257.416   6.9111 3.540649 11.55256 
1 1 1   11   21    5 f  839.742   6.4597  2440.92   37.544  2402.99   52.521  2480.56   53.687  833.082   9.1089  846.420   9.1645 -13.33783 12.92134 
1 1 1   11   21    6 o  890.349   9.5028  2744.63   58.558   0.0000   0.0000  2744.63   58.558  ?   ?   890.349   9.5028 0.000000 9.502759 
1 1 1   11   21    7 o  862.109   6.5913  2572.56   39.329  2589.89   56.185  2555.92   55.070  864.910   9.3858  859.226   9.2605 5.684875 13.18518 
1 1 1   11   21    8 o  496.048   4.9333  851.623   16.937  850.812   24.227  852.399   23.687  495.780   7.0605  496.244   6.8966 -0.4647827 9.869864 
1 1 1   11   21    9 o  426.987   8.9262  631.219   26.379   0.0000   0.0000  631.219   26.379  ?   ?   426.987   8.9262 0.000000 8.926172 
1 1 1   11   21   10 o  620.254   5.4538  1331.63   23.412  1369.08   33.942  1297.63   32.337  628.844   7.7985  612.221   7.6315 16.62292 10.91128 
1 1 1   11   21   11 o  382.066   4.8930  505.268   12.939  520.143   18.656  491.480   17.961  387.605   6.9541  376.775   6.8875 10.82950 9.787641 
1 1 1   11   21   12 o  341.505   5.5627  403.744   13.148  447.756   22.528  381.009   16.192  359.524   9.0536  331.712   7.0528 27.81256 11.47642 
1 1 1   11   21   13 o  500.350   5.1874  866.768   17.964  915.385   26.485  825.346   24.447  514.061   7.4441  488.138   7.2360 25.92331 10.38145 
1 1 1   11   21   14 o  459.960   6.1072  732.862   19.442  739.165   23.589  719.512   34.330  461.828   7.3800  455.255   10.895 6.572418 13.15953 
1 1 1   11   21   15 o  177.104   6.8855  108.736   8.4400  122.035   12.432   97.368   11.495  187.218   9.6272  167.132   9.9826 20.08646 13.86854 
1 1 1   11   21   16 o  297.141   5.2954  305.974   10.890  314.702   16.044  298.516   14.830  301.113   7.6983  293.310   7.3053 7.802277 10.61280 
1 1 1   11   21   17 o  221.743   6.0176  170.564   9.2354  175.838   13.635  166.093   12.553  224.846   8.7620  218.583   8.2978 6.262466 12.06756 
1 1 1   11   21   18 o  136.018   11.714   65.238   10.920   0.0000   0.0000   65.238   10.920  ?   ?   136.018   11.714 0.000000 11.71372 
1 1 1   11   21   19 o  100.541   11.855   35.989   8.0905   22.813   12.219   46.276   10.796   77.971   21.795  113.611   14.028 -35.63960 25.91944 
1 1 1   11   21   20 o  119.035   10.182   50.116   8.3078   36.174   12.368   61.578   11.214   98.303   18.865  131.368   12.484 -33.06507 22.62152 
1 1 1   11   23    0 o  447.208   5.5927  692.276   17.310  659.512   29.343  709.765   21.438  436.382   9.7152  452.792   6.8410 -16.41028 11.88211 
1 1 1   11   23    1 o  230.437   6.1549  183.817   9.8164  180.146   16.801  185.720   12.096  228.054   10.644  231.608   7.5457 -3.554153 13.04766 
1 1 1   11   23    2 o  575.612   5.2184  1146.82   20.790  1094.63   40.825  1165.10   24.157  562.184   10.492  580.160   6.0160 -17.97595 12.09458 
1 1 1   11   23    3 o  534.601   10.271  989.756   38.003   0.0000   0.0000  989.756   38.003  ?   ?   534.601   10.271 0.000000 10.27098 
1 1 1   11   23    4 o   95.685   10.122   32.059   6.6012   34.775   9.3914   29.406   9.2808   99.199   14.073   90.878   15.299 8.320610 20.78723 
1 1 1   11   23    5 o  1077.38   7.8133  4018.20   58.261  3917.32   80.464  4129.37   84.469  1063.59   10.931  1091.98   11.176 -28.39099 15.63313 
1 1 1   11   23    6 o  864.622   6.6197  2587.59   39.613  2640.82   57.282  2538.81   54.841  873.368   9.4765  856.342   9.2529 17.02594 13.24464 
1 1 1   11   23    7 o  298.633   4.7911  308.653   9.9026  351.657   15.074  276.006   13.134  318.740   6.8331  282.382   6.7203 36.35730 9.584053 
1 1 1   11   23    8 o  578.330   9.9376  1158.05   39.777   0.0000   0.0000  1158.05   39.777  ?   ?   578.330   9.9376 0.000000 9.937595 
1 1 1   11   23    9 o  1132.65   8.1629  4441.47   63.991  4539.53   92.719  4352.28   88.428  1144.82   11.702  1120.99   11.398 23.83508 16.33510 
1 1 1   11   23   10 f  200.892   5.8111  139.698   8.0798  155.046   11.958  126.803   10.960  211.611   8.1645  191.369   8.2753 20.24261 11.62491 
1 1 1   11   23   11 o  433.142   5.5265  649.446   16.568  719.024   29.041  615.875   20.172  455.627   9.2093  421.761   6.9105 33.86575 11.51374 
1 1 1   11   23   12 o  678.385   5.8191  1593.31   27.322  1709.09   41.100  1501.64   36.572  702.420   8.4541  658.442   8.0253 43.97803 11.65662 
1 1 1   11   23   13 f  220.360   5.8234  168.154   8.8815  175.936   13.302  161.894   11.931  225.312   8.5298  216.154   7.9749 9.158508 11.67722 
1 1 1   11   23   14 o  675.055   5.7759  1578.55   26.986  1604.04   38.925  1554.95   37.446  680.131   8.2692  669.674   8.0791 10.45709 11.56077 
1 1 1   11   23   15 o  139.392   9.9830   67.853   9.5673   84.092   11.222   24.634   18.307  155.185   10.510   84.259   27.400 70.92630 29.34608 
1 1 1   11   23   16 o  228.158   5.7481  180.464   9.0769  168.723   13.308  190.679   12.412  220.356   8.7259  234.366   7.6521 -14.00998 11.60584 
1 1 1   11   23   17 o  109.868   10.883   42.521   8.1664   42.707   14.237   42.429   9.9696  108.054   19.766  109.242   13.471 -1.188370 23.91978 
1 1 1   11   23   18 o  166.331   7.2705   96.198   8.3698  108.393   12.660   86.731   11.155  175.812   10.452  157.229   10.308 18.58270 14.67980 
1 1 1   11   23   19 o  209.042   7.4134  152.184   10.726  164.342   21.289  148.049   12.417  214.907   14.396  205.933   8.7117 8.973877 16.82656 
1 1 1   11   23   20 o  108.740   10.833   42.045   8.0444   67.679   12.274   22.740   10.651  137.488   13.055   77.322   19.813 60.16611 23.72717 
1 1 1   11   25    0 o  1069.04   7.7846  3956.53   57.598  3877.56  113.130  3984.16   66.920  1057.66   15.454  1072.69   9.0138 -15.02405 17.89098 
1 1 1   11   25    1 o  486.465   4.9884  819.074   16.795  792.683   33.369  828.028   19.437  478.439   10.077  489.103   5.7418 -10.66443 11.59810 
1 1 1   11   25    2 f  517.449   5.0679  926.732   18.150  873.171   35.898  945.125   21.037  502.140   10.329  522.544   5.8167 -20.40427 11.85450 
1 1 1   11   25    3 o  777.206   8.6782  2091.31   46.681   0.0000   0.0000  2091.31   46.681  ?   ?   777.206   8.6782 0.000000 8.678178 
1 1 1   11   25    4 f  1131.86   16.361  4440.00  128.170   0.0000   0.0000  4440.00  128.170  ?   ?   1131.86   16.361 0.000000 16.36118 
1 1 1   11   25    5 o  545.333   7.2335  1029.41   27.302   0.0000   0.0000  1029.41   27.302  ?   ?   545.333   7.2335 0.000000 7.233527 
1 1 1   11   25    6 o  270.206   6.9516  252.720   13.000   0.0000   0.0000  252.720   13.000  ?   ?   270.206   6.9516 0.000000 6.951636 
1 1 1   11   25    7 o  815.279   7.3109  2300.79   41.253  2312.21   51.349  2280.00   69.276  817.240   9.0784  811.384   12.336 5.855896 15.31662 
1 1 1   11   25    8 o  389.070   6.6657  523.980   17.950   0.0000   0.0000  523.980   17.950  ?   ?   389.070   6.6657 0.000000 6.665744 
1 1 1   11   25    9 o  873.064   7.7920  2638.94   47.084  2725.85   85.914  2601.63   56.290  886.892   13.996  866.784   9.3830 20.10822 16.85053 
1 1 1   11   25   10 o  674.156   7.9896  1573.68   37.279   0.0000   0.0000  1573.68   37.279  ?   ?   674.156   7.9896 0.000000 7.989624 
1 1 1   11   25   11 o  304.229   6.0517  320.427   12.743  320.732   26.586  320.336   14.519  304.161   12.629  304.167   6.8967 -0.5584717E-02 14.38972 
1 1 1   11   25   12 o  417.760   5.9426  604.282   17.182  628.969   21.025  554.634   29.816  426.157   7.1282  399.980   10.770 26.17688 12.91558 
1 1 1   11   25   13 o  219.736   6.1789  167.238   9.3970  175.756   16.013  162.763   11.606  225.087   10.279  216.722   7.7373 8.364899 12.86540 
1 1 1   11   25   14 o  263.953   5.7215  241.361   10.452  244.128   13.938  237.805   15.801  265.353   7.5891  261.815   8.7198 3.538177 11.55979 
1 1 1   11   25   15 o  264.158   5.1824  241.763   9.4749  272.227   14.318  218.030   12.638  280.137   7.3848  250.713   7.2830 29.42332 10.37200 
1 1 1   11   25   16 o  209.522   7.4034  152.397   10.736  152.942   12.755  151.073   19.885  209.761   8.7854  207.326   13.939 2.434326 16.47663 
1 1 1   11   25   17 o   36.293   15.484   0.0041   6.8642   2.4772   10.794  -1.6750   8.8942   47.945   19.868   39.360   17.207 8.585201 26.28394 
1 1 1   11   25   18 o  182.632   6.7568  115.930   8.5407  109.890   12.555  121.134   11.652  177.011   10.292  186.366   9.0338 -9.354538 13.69462 
1 1 1   11   25   19 o   55.882   17.114   11.265   7.2417   3.0194   10.902   17.777   9.6881   48.295   19.986   69.072   19.443 -20.77629 27.88338 
1 1 1   11   27    0 o  310.082   7.2293  332.839   15.515   0.0000   0.0000  332.839   15.515  ?   ?   310.082   7.2293 0.000000 7.229327 
1 1 1   11   27    1 o  437.828   5.6827  663.493   17.220  674.634   30.498  658.279   20.864  441.401   9.9830  436.084   6.9127 5.316925 12.14275 
1 1 1   11   27    2 o  965.230   8.3024  3225.36   55.464   0.0000   0.0000  3225.36   55.464  ?   ?   965.230   8.3024 0.000000 8.302406 
1 1 1   11   27    3 o  919.640   6.9389  2927.49   44.166  2767.80   84.616  2987.28   51.779  893.874   13.677  928.943   8.0535 -35.06946 15.87215 
1 1 1   11   27    4 o   96.687   12.552   32.920   8.2017   35.522   17.085   32.141   9.3494   99.234   24.913   95.217   14.657 4.016914 28.90500 
1 1 1   11   27    5 o  335.826   5.7500  390.341   13.365  427.902   25.900  376.711   15.602  351.544   10.645  329.899   6.8333 21.64468 12.64956 
1 1 1   11   27    6 o  305.004   6.9627  322.004   14.698   0.0000   0.0000  322.004   14.698  ?   ?   305.004   6.9627 0.000000 6.962673 
1 1 1   11   27    7 o  1758.05   12.005 10704.09  146.073 10683.19  206.207 10725.14  206.951  1755.64   16.970  1759.08   16.998 -3.439331 24.01950 
1 1 1   11   27    8 o   48.789   17.182   7.1980   7.2076  -3.0985   19.070   8.9140   7.7850   58.533   25.398   52.762   17.887 5.771553 31.06450 
1 1 1   11   27    9 o  1255.35   10.302  5458.17   89.509  5580.49  160.034  5402.48  107.979  1268.18   18.233  1248.68   12.494 19.50403 22.10300 
1 1 1   11   27   10 o  268.111   6.9725  248.878   12.938   0.0000   0.0000  248.878   12.938  ?   ?   268.111   6.9725 0.000000 6.972451 
1 1 1   11   27   11 o  499.347   5.9984  863.282   20.731  879.024   39.297  857.212   24.402  503.586   11.275  497.543   7.0864 6.042542 13.31691 
1 1 1   11   27   12 o  448.029   5.8401  695.071   18.109  719.024   34.855  686.214   21.194  455.318   11.061  445.112   6.8798 10.20609 13.02569 
1 1 1   11   27   13 o  150.747   9.1981   79.109   9.5509  112.098   20.797   70.293   10.752  178.499   17.041  141.868   11.037 36.63112 20.30322 
1 1 1   11   27   14 o  339.506   4.8566  399.221   11.412  411.493   16.988  389.128   15.406  344.515   7.1244  335.061   6.6433 9.453278 9.741179 
1 1 1   11   27   15 o  207.708   5.5361  149.518   7.9586  160.549   12.087  141.075   10.574  215.052   8.1210  201.629   7.5773 13.42302 11.10704 
1 1 1   11   27   16 o  135.560   8.1575   64.084   7.6179   73.317   13.689   59.942   9.1688  144.048   13.903  130.798   10.209 13.24983 17.24898 
1 1 1   11   27   17 o  214.818   7.4075  160.395   11.013  173.158   13.054  128.878   20.514  223.054   8.4559  190.506   15.698 32.54762 17.83092 
1 1 1   11   27   18 o   40.460   16.077   3.2080   6.7309   2.7838   10.178   3.5377   8.9735   46.878   19.348   45.521   18.400 1.356682 26.70034 
1 1 1   11   27   19 o   29.547   13.989  -8.6571   7.6110  -6.2613   10.683 -11.1268   10.846   38.939   17.786   35.832   16.884 3.107098 24.52368 
1 1 1   11   29    0 o  787.406   12.461  2147.32   67.909   0.0000   0.0000  2147.32   67.909  ?   ?   787.406   12.461 0.000000 12.46094 
1 1 1   11   29    1 o  488.762   5.8331  826.833   19.732   0.0000   0.0000  826.833   19.732  ?   ?   488.762   5.8331 0.000000 5.833107 
1 1 1   11   29    2 o  1169.71   8.3985  4736.55   67.992  4510.73  129.749  4822.03   79.831  1140.92   16.431  1180.15   9.7737 -39.23193 19.11837 
1 1 1   11   29    3 o  549.479   6.0865  1045.03   23.147  1103.42   42.802  1020.90   27.518  564.506   10.955  543.076   7.3212 21.43024 13.17640 
1 1 1   11   29    4 o  1686.17   11.543  9845.31  134.715  9756.10  267.793  9875.53  155.874  1676.91   23.073  1688.58   13.338 -11.66821 26.65096 
1 1 1   11   29    5 o  885.592   7.8647  2714.85   48.205  2645.85   82.861  2750.15   59.267  873.997   13.698  891.264   9.6079 -17.26703 16.73174 
1 1 1   11   29    6 o  722.112   5.9358  1804.83   29.666  1737.07   59.634  1827.12   34.198  708.216   12.166  726.535   6.8010 -18.31970 13.93791 
1 1 1   11   29    7 o  476.515   5.0459  785.902   16.641  806.510   24.143  767.248   22.970  482.682   7.2269  470.790   7.0494 11.89185 10.09565 
1 1 1   11   29    8 o  916.198   8.0588  2906.27   51.102  3066.34   94.839  2840.78   60.661  940.577   14.569  905.721   9.6770 34.85632 17.48962 
1 1 1   11   29    9 o  1068.10   11.008  3952.27   81.378   0.0000   0.0000  3952.27   81.378  ?   ?   1068.10   11.008 0.000000 11.00817 
1 1 1   11   29   10 o  128.743   8.2529   57.637   7.3150   81.006   11.479   41.660   9.4918  152.504   10.948  108.868   12.844 43.63559 16.87746 
1 1 1   11   29   11 o  503.879   6.0558  879.096   21.119  909.351   25.932  819.512   36.392  512.413   7.3121  486.215   10.814 26.19818 13.05444 
1 1 1   11   29   12 o  232.616   5.2125  187.360   8.3920  194.791   12.585  181.411   11.261  237.103   7.6690  228.835   7.1102 8.267670 10.45792 
1 1 1   11   29   13 o  295.005   4.8468  301.380   9.8961  322.649   14.866  284.453   13.262  305.117   7.0395  286.509   6.6878 18.60794 9.709869 
1 1 1   11   29   14 o  162.144   7.2724   91.174   8.1612   97.561   21.285   90.074   8.8366  165.693   18.898  161.130   7.9238 4.562592 20.49233 
1 1 1   11   29   15 o  357.043   5.3288  441.808   13.168  497.561   23.300  415.640   15.962  378.401   8.8965  346.164   6.6624 32.23712 11.11465 
1 1 1   11   29   16 o  324.437   4.9039  364.846   11.012  381.200   16.411  351.455   14.851  331.327   7.1565  318.199   6.7434 13.12805 9.833082 
1 1 1   11   29   17 o  183.327   6.1791  116.687   7.8403  124.687   11.862  110.479   10.448  189.153   9.0606  178.129   8.4747 11.02441 12.40623 
1 1 1   11   29   18 o  180.352   6.3282  113.051   7.8991  108.712   11.494  116.935   10.874  176.140   9.4630  183.092   8.5809 -6.951889 12.77423 
1 1 1   11   29   19 o   95.251   10.553   32.259   6.8404   35.709   10.379   29.609   9.0951   98.792   15.705   89.947   15.148 8.845375 21.82024 
1 1 1   11   31    0 o  786.812   12.351  2143.90   67.257  2143.90   67.257   0.0000   0.0000  786.812   12.351  ?   ?  0.000000 12.35073 
1 1 1   11   31    1 o  1184.60   9.8306  4858.35   80.598  4641.46  133.526  4982.67  101.092  1157.36   16.669  1199.51   12.177 -42.15540 20.64335 
1 1 1   11   31    2 o  633.530   6.4795  1389.21   28.411  1318.05   47.961  1427.68   35.264  616.967   11.232  642.210   7.9338 -25.24268 13.75131 
1 1 1   11   31    3 o  747.516   12.437  1935.12   64.344  1935.12   64.344   0.0000   0.0000  747.516   12.437  ?   ?  0.000000 12.43685 
1 1 1   11   31    4 o  593.145   6.3083  1217.74   25.897  1166.83   44.652  1243.54   31.790  580.495   11.114  599.368   7.6633 -18.87305 13.49985 
1 1 1   11   31    5 o  726.477   8.4266  1827.06   42.369  1815.61   61.270  1837.56   58.654  724.047   12.227  728.438   11.634 -4.390869 16.87723 
1 1 1   11   31    6 o  1152.39   9.6095  4598.17   76.644  4592.68  133.854  4600.85   93.486  1151.04   16.802  1152.57   11.719 -1.524048 20.48550 
1 1 1   11   31    7 o  587.186   6.3423  1193.50   25.775  1120.98   44.587  1229.90   31.588  568.890   11.324  596.035   7.6573 -27.14526 13.66992 
1 1 1   11   31    8 o  400.184   5.3885  554.335   14.925   0.0000   0.0000  554.335   14.925  ?   ?   400.184   5.3885 0.000000 5.388499 
1 1 1   11   31    9 o  996.302   8.6038  3437.60   59.328  3458.54  105.373  3427.89   71.788  998.530   15.247  994.719   10.427 3.811035 18.47181 
1 1 1   11   31   10 f  476.322   7.0086  785.636   23.105   0.0000   0.0000  785.636   23.105  ?   ?   476.322   7.0086 0.000000 7.008631 
1 1 1   11   31   11 o  389.894   4.8171  526.282   12.999  520.802   18.668  531.441   18.111  387.772   6.9558  391.726   6.6802 -3.954010 9.644060 
1 1 1   11   31   12 o   52.064   15.120   9.6173   5.7707   13.082   8.7420   6.9415   7.6824   61.224   18.812   48.945   17.682 12.27880 25.81781 
1 1 1   11   31   13 o   74.861   10.737   19.863   5.4038   21.821   9.0077   18.762   6.7541   77.522   17.235   72.176   14.026 5.345360 22.22091 
1 1 1   11   31   14 o  143.615   6.6905   71.517   6.6502   73.104   10.076   70.293   8.8517  144.665   10.128  141.978   9.0552 2.687134 13.58563 
1 1 1   11   31   15 o  192.800   5.4561  128.854   7.2806  134.011   11.362  125.261   9.4834  196.396   8.3588  189.972   7.2127 6.423340 11.04053 
1 1 1   11   31   16 o  184.360   6.7173  118.007   8.5711  102.878   19.893  121.455   9.4979  169.800   17.163  186.975   7.3395 -17.17532 18.66635 
1 1 1   11   31   17 o  301.588   5.0266  315.491   10.492  322.592   15.272  309.142   14.440  304.582   7.2445  298.214   6.9960 6.368408 10.07108 
1 1 1   11   31   18 o  161.342   7.0656   90.606   7.8899   86.045   10.934   95.561   11.397  156.432   10.154  164.919   10.032 -8.486420 14.27388 
1 1 1   11   31   19 o  127.785   8.0917   57.294   7.1195   68.276   10.971   49.304   9.3574  138.610   11.541  117.611   11.649 20.99860 16.39764 
1 1 1   11   33    0 o  439.199   7.1974  667.691   21.878   0.0000   0.0000  667.691   21.878  ?   ?   439.199   7.1974 0.000000 7.197380 
1 1 1   11   33    1 o  355.659   5.0453  437.791   12.419  425.457   17.020  451.838   18.163  350.593   7.0140  361.296   7.2636 -10.70267 10.09737 
1 1 1   11   33    2 o  2009.12   13.610 13981.39  189.253 13882.93  376.456 14014.69  218.929  1999.34   27.205  2011.21   15.728 -11.86584 31.42417 
1 1 1   11   33    3 o  189.506   8.4865  124.322   11.131  119.756   19.972  126.380   13.406  185.247   15.726  190.780   10.190 -5.533554 18.73846 
1 1 1   11   33    4 o  560.729   11.057  1088.78   42.909  1088.78   42.909   0.0000   0.0000  560.729   11.057  ?   ?  0.000000 11.05650 
1 1 1   11   33    5 f  724.338   6.0064  1816.04   30.111  1800.00   61.526  1821.09   34.529  720.880   12.332  725.320   6.8783 -4.439697 14.12017 
1 1 1   11   33    6 o  1192.66   8.5409  4924.90   70.501  4806.83  139.107  4965.71   81.782  1177.38   17.071  1197.49   9.8676 -20.10425 19.71752 
1 1 1   11   33    7 o  670.273   6.5148  1555.25   30.222   0.0000   0.0000  1555.25   30.222  ?   ?   670.273   6.5148 0.000000 6.514810 
1 1 1   11   33    8 o  208.436   5.7452  150.393   8.2881  135.073   21.871  152.962   8.9561  196.655   16.213  210.204   6.1561 -13.54837 17.34261 
1 1 1   11   33    9 o  272.104   6.2934  256.340   11.852  280.976   24.480  248.797   13.546  284.689   12.424  268.049   7.3015 16.63983 14.41055 
1 1 1   11   33   10 f  243.030   5.0242  204.472   8.4510  240.927   24.311  199.461   9.0131  263.160   13.392  240.026   5.4255 23.13394 14.44914 
1 1 1   11   33   11 o  391.800   5.2045  531.529   14.113  533.171   30.672  531.088   15.896  391.984   11.306  391.607   5.8648 0.3769836 12.73624 
1 1 1   11   33   12 f  436.674   4.8022  660.321   14.514  657.645   20.816  662.852   20.246  435.632   6.9042  437.371   6.6882 -1.739929 9.612479 
1 1 1   11   33   13 o  182.549   5.2237  115.441   6.5998  125.777   10.714  109.122   8.3779  190.405   8.1305  177.417   6.8228 12.98735 10.61391 
1 1 1   11   33   14 o  165.216   5.3880   94.595   6.1611   99.520   9.8756   91.457   7.8834  169.286   8.4287  162.372   7.0150 6.915009 10.96604 
1 1 1   11   33   15 o  207.839   4.9715  149.717   7.1514  162.404   11.270  141.166   9.2528  216.250   7.5302  201.695   6.6283 14.55455 10.03182 
1 1 1   11   33   16 o  110.642   7.3702   42.731   5.6116   46.436   9.3162   40.621   7.0300  114.600   11.920  107.543   9.5440 7.056335 15.27020 
1 1 1   11   33   17 o   44.421   15.037   6.5274   5.5013   9.4080   9.0350   4.8302   6.9351   54.349   19.226   43.547   16.592 10.80209 25.39538 
1 1 1   11   33   18 o   31.155   14.041  -3.0365   6.3904   0.9224   16.728  -3.7131   6.9149   55.818   24.002   31.929   14.477 23.88918 28.03051 
1 1 1   11   35    0 o  616.731   5.5488  1316.46   23.685  1283.26   32.676  1353.21   34.380  608.858   7.7542  625.229   7.9449 -16.37152 11.10175 
1 1 1   11   35    1 o  981.223   10.382  3333.70   70.507   0.0000   0.0000  3333.70   70.507  ?   ?   981.223   10.382 0.000000 10.38208 
1 1 1   11   35    2 o  747.398   7.2082  1933.63   37.287  1895.12   63.436  1953.95   46.089  739.716   12.391  751.262   8.8639 -11.54590 15.23479 
1 1 1   11   35    3 o  949.244   14.462  3121.95   95.015  3121.95   95.015   0.0000   0.0000  949.244   14.462  ?   ?  0.000000 14.46225 
1 1 1   11   35    4 o  216.328   7.5581  162.006   11.316  155.415   21.396  164.565   13.334  211.264   14.725  218.016   8.8367 -6.751785 17.17307 
1 1 1   11   35    5 o  614.087   6.5205  1305.38   27.713  1293.66   49.260  1310.81   33.522  611.124   11.646  615.320   7.8713 -4.196655 14.05678 
1 1 1   11   35    6 o  428.349   11.333  635.610   33.599  635.610   33.599   0.0000   0.0000  428.349   11.333  ?   ?  0.000000 11.33314 
1 1 1   11   35    7 o  197.903   6.4251  135.587   8.8005  152.146   22.410  132.568   9.5692  208.865   15.616  195.680   7.0657 13.18527 17.13976 
1 1 1   11   35    8 o  459.978   6.0849  732.484   19.372  644.390   33.969  774.943   23.583  431.213   11.382  473.083   7.2024 -41.87018 13.46916 
1 1 1   11   35    9 o  511.821   6.1152  906.999   21.662  876.097   39.554  920.238   25.890  502.708   11.368  515.488   7.2567 -12.78030 13.48697 
1 1 1   11   35   10 o  231.418   6.4759  185.473   10.372  198.049   22.682  182.148   11.663  238.410   13.805  229.308   7.3488 9.101151 15.63953 
1 1 1   11   35   11 o  333.383   4.5587  384.825   10.519  386.537   25.704  384.481   11.528  333.684   11.130  333.216   4.9987 0.4685669 12.20064 
1 1 1   11   35   12 o  401.543   4.5675  558.363   12.694  631.707   32.302  544.968   13.804  426.395   10.945  396.668   5.0282 29.72662 12.04517 
1 1 1   11   35   13 o  207.887   13.565  151.366   19.410   0.0000   0.0000  151.366   19.410  ?   ?   207.887   13.565 0.000000 13.56488 
1 1 1   11   35   14 f  199.467   10.064  138.793   13.850  122.195   20.149  153.658   19.068  186.007   15.801  209.317   13.230 -23.31030 20.60828 
1 1 1   11   35   15 o   73.131   22.847   19.125   12.833   20.415   17.622   17.668   18.726   77.883   26.899   75.617   27.562 2.265823 38.51227 
1 1 1   11   35   16 o  133.703   14.166   63.594   12.910   62.439   17.795   64.878   18.757  130.640   20.343  132.960   21.086 -2.320297 29.29961 
1 1 1   11   35   17 o  113.483   6.3889   44.902   4.9976   47.654   8.0854   43.200   6.3575  116.280   10.148  111.011   8.3354 5.268837 13.13268 
1 1 1   11   35   18 o  152.458   6.0310   80.837   6.3638   82.737   9.9432   79.519   8.2824  153.416   9.4098  150.726   7.9677 2.689468 12.33002 
1 1 1   11   37    0 o  1162.92   9.7027  4682.66   78.094  4534.63  131.310  4763.68   97.142  1143.77   16.587  1172.76   11.968 -28.99426 20.45423 
1 1 1   11   37    1 o  602.116   5.5220  1254.84   23.012  1215.06   31.655  1299.43   33.512  592.442   7.7201  612.660   7.9033 -20.21820 11.04812 
1 1 1   11   37    2 o  646.321   5.7055  1445.88   25.522  1356.11   34.079  1560.54   38.514  625.877   7.8673  671.381   8.2885 -45.50366 11.42777 
1 1 1   11   37    3 o  255.162   9.2870  225.441   16.401   0.0000   0.0000  225.441   16.401  ?   ?   255.162   9.2870 0.000000 9.286987 
1 1 1   11   37    4 o  623.185   6.6041  1344.38   28.485  1291.22   49.327  1370.97   34.890  610.532   11.674  629.271   8.0109 -18.73846 14.15793 
1 1 1   11   37    5 o  821.887   6.5653  2338.43   37.346  2217.56   72.799  2381.60   43.507  799.940   13.149  829.390   7.5793 -29.45044 15.17690 
1 1 1   11   37    6 o  187.247   9.7136  121.764   12.545   0.0000   0.0000  121.764   12.545  ?   ?   187.247   9.7136 0.000000 9.713584 
1 1 1   11   37    7 o  1015.07   7.5605  3567.85   53.116  3409.76  103.388  3624.54   61.911  991.427   15.067  1023.00   8.7441 -31.57129 17.42070 
1 1 1   11   37    8 o  268.997   6.6837  250.551   12.443  260.341   24.074  246.982   14.536  273.995   12.695  267.045   7.8646 6.950317 14.93374 
1 1 1   11   37    9 o  825.071   7.5740  2358.05   43.251  2347.80   76.478  2362.86   52.442  822.420   13.436  825.726   9.1763 -3.305420 16.27051 
1 1 1   11   37   10 o  247.245   4.9269  211.663   8.4309  179.366   22.373  217.008   9.1019  226.686   14.334  250.338   5.2533 -23.65230 15.26641 
1 1 1   11   37   11 o  391.470   4.6232  530.670   12.526  545.854   30.054  527.478   13.780  396.444   10.953  390.264   5.1017 6.179932 12.08308 
1 1 1   11   37   12 o  511.099   7.8848  906.130   27.891  960.488   41.783  862.439   37.460  525.504   11.488  498.092   10.866 27.41205 15.81285 
1 1 1   11   37   13 o  122.209   14.600   52.934   12.104   49.171   18.228   55.902   16.189  115.686   23.566  124.574   19.409 -8.888222 30.52968 
1 1 1   11   37   14 f  149.773   11.961   78.784   12.296   61.073   18.281   93.415   16.615  129.578   21.111  162.549   14.936 -32.97081 25.86031 
1 1 1   11   37   15 o  175.278   11.123  107.727   13.424   93.707   18.354  123.854   19.685  162.089   16.594  186.934   15.351 -24.84456 22.60559 
1 1 1   11   37   16 o   65.606   22.688   14.431   12.539   5.5951   15.773   29.600   20.667   59.112   24.206   89.536   29.112 -30.42489 37.86089 
1 1 1   11   37   17 o  103.502   18.346   39.535   12.661   40.507   17.583   38.488   18.245  102.612   24.991   99.736   26.121 2.875404 36.15017 
1 1 1   11   37   18 o   69.925   26.409   15.395   17.473   0.0000   0.0000   15.395   17.473  ?   ?    69.925   26.409 0.000000 26.40914 
1 1 1   11   39    0 o  176.261   7.6100  107.557   9.2836  115.037   12.770   99.172   13.520  181.973   10.180  168.804   11.644 13.16946 15.46632 
1 1 1   11   39    1 o  927.948   7.0830  2980.93   45.490  2851.92   61.534  3136.41   67.553  907.497   9.7970  951.652   10.256 -44.15527 14.18346 
1 1 1   11   39    2 o  688.240   5.9026  1639.61   28.117  1577.85   38.287  1711.89   41.423  675.072   8.1946  703.149   8.5117 -28.07654 11.81531 
1 1 1   11   39    3 o  610.610   8.2256  1290.95   34.762  1342.44   50.042  1242.93   48.326  622.503   11.615  598.984   11.657 23.51892 16.45576 
1 1 1   11   39    4 o  306.536   5.8199  325.265   12.347  317.756   26.440  327.360   13.963  302.814   12.616  307.510   6.5608 -4.695251 14.21975 
1 1 1   11   39    5 o  552.567   6.3231  1057.02   24.182   0.0000   0.0000  1057.02   24.182  ?   ?   552.567   6.3231 0.000000 6.323099 
1 1 1   11   39    6 o  564.599   5.5310  1103.49   21.613  1078.05   44.595  1111.31   24.709  557.741   11.553  566.566   6.3014 -8.824707 13.15942 
1 1 1   11   39    7 o  397.418   5.2520  546.760   14.446  530.732   31.068  551.181   16.317  391.289   11.472  399.003   5.9087 -7.713745 12.90427 
1 1 1   11   39    8 o  322.771   8.2294  360.919   18.384  348.098   25.870  374.000   26.130  316.803   11.799  328.397   11.496 -11.59399 16.47333 
1 1 1   11   39    9 o  491.450   5.7831  836.397   19.670  799.512   37.754  850.141   23.046  480.006   11.364  495.410   6.7212 -15.40411 13.20300 
1 1 1   11   39   10 o  621.718   5.4843  1338.73   23.599  1276.58   49.039  1357.46   26.921  606.226   11.688  625.978   6.2138 -19.75232 13.23675 
1 1 1   11   39   11 o   97.319   7.2224   33.014   4.8300   12.317   17.599   34.700   5.0229   69.536   26.446   99.776   7.3247 -30.24062 27.44122 
1 1 1   11   39   12 o  240.684   9.0288  201.178   15.040  176.829   21.708  223.659   20.858  224.660   14.031  253.445   11.891 -28.78519 18.39186 
1 1 1   11   39   13 o   32.293   15.720 -19.8432   11.258   4.5073   16.976 -38.9610   15.042   60.552   24.990   32.849   16.382 27.70305 29.88128 
1 1 1   11   39   14 o  141.157   12.509   70.204   12.094   63.659   17.495   76.195   16.738  132.603   19.658  146.086   16.865 -13.48367 25.90104 
1 1 1   11   39   15 f   97.105   24.479   35.527   16.447   35.527   16.447   0.0000   0.0000   97.105   24.479  ?   ?  0.000000 24.47900 
1 1 1   11   39   16 f   69.727   22.758   17.321   12.626   51.463   16.432 -31.8927   19.728  117.802   20.920   43.067   20.929 74.73469 29.59154 
1 1 1   11   39   17 o  106.830   18.953   42.370   13.500   26.307   18.908   59.073   19.282   83.904   27.873  124.786   23.179 -40.88224 36.25159 
1 1 1   11   41    0 o  328.341   5.5983  373.173   12.722  379.767   17.586  365.934   18.427  331.190   7.6720  325.092   8.1897 6.098816 11.22191 
1 1 1   11   41    1 o  254.018   8.8794  223.443   15.611  227.805   22.905  219.658   21.333  256.061   12.967  251.782   12.242 4.279175 17.83244 
1 1 1   11   41    2 o  691.648   5.9554  1655.97   28.508  1616.17   39.348  1699.95   41.362  683.184   8.3215  700.658   8.5293 -17.47382 11.91624 
1 1 1   11   41    3 o  603.618   5.6244  1261.24   23.497  1210.39   31.826  1322.18   34.839  591.245   7.7773  617.929   8.1461 -26.68323 11.26256 
1 1 1   11   41    5 o  517.694   5.5810  927.782   19.997  904.390   41.779  934.733   22.775  510.814   11.817  519.604   6.3331 -8.789368 13.40732 
1 1 1   11   41    6 o  1130.57   8.2635  4427.20   64.660  4249.27  125.437  4491.59   75.458  1106.17   16.384  1138.59   9.5755 -32.41687 18.97718 
1 1 1   11   41    7 o  697.255   6.9880  1683.72   33.723  1627.32   58.476  1711.83   41.278  684.909   12.336  702.920   8.4847 -18.01086 14.97204 
1 1 1   11   41    8 o  451.983   11.249  708.781   35.191  708.781   35.191   0.0000   0.0000  451.983   11.249  ?   ?  0.000000 11.24938 
1 1 1   11   41    9 o  328.313   5.0184  373.256   11.403  358.488   26.624  376.574   12.619  321.258   11.974  329.746   5.5295 -8.487671 13.18904 
1 1 1   11   41   10 o  192.233   5.5118  128.007   7.3333   97.463   19.239  133.199   7.9321  166.206   16.963  196.081   5.8449 -29.87457 17.94159 
1 1 1   11   41   11 o  100.365   7.2687   35.114   5.0149   0.0000   0.0000   35.114   5.0149  ?   ?   100.365   7.2687 0.000000 7.268733 
1 1 1   11   41   12 o  322.452   7.8809  360.918   17.588  364.878   25.768  357.463   24.065  323.657   11.503  320.466   10.850 3.190430 15.81301 
1 1 1   11   41   13 f  305.879   8.0538  325.049   17.050  325.512   24.791  324.634   23.487  305.427   11.728  305.142   11.121 0.2850647 16.16216 
1 1 1   11   41   14 o   65.834   21.409   15.109   11.177   41.210   15.541 -12.8537   16.086  105.427   22.009   45.818   21.249 59.60922 30.59297 
1 1 1   11   41   15 o  115.032   16.012   47.691   12.402   42.093   16.888   54.244   18.272  105.711   23.671  120.658   22.714 -14.94714 32.80655 
1 1 1   11   41   16 o  195.479   10.828  134.365   14.592  123.561   19.113  149.463   22.595  186.082   14.967  204.294   16.111 -18.21201 21.99016 
1 1 1   11   41   17 o  120.390   16.279   52.875   13.216   62.732   18.959   43.556   18.434  128.788   22.063  105.477   25.526 23.31116 33.73996 
1 1 1   11   43    0 f  962.467   8.4245  3207.92   56.119  3141.42   67.280  3360.00  101.739  952.282   10.208  984.278   14.935 -31.99615 18.08994 
1 1 1   11   43    1 o  106.924   16.945   40.648   12.122   40.648   12.122   0.0000   0.0000  106.924   16.945  ?   ?  0.000000 16.94491 
1 1 1   11   43    3 o  980.703   8.5132  3330.98   57.784  3273.17   96.954  3362.82   71.961  971.425   14.420  985.166   10.554 -13.74127 17.86991 
1 1 1   11   43    4 o  1013.24   7.6651  3555.35   53.753  3382.44  102.956  3620.14   63.025  987.281   15.067  1022.30   8.9076 -35.02081 17.50341 
1 1 1   11   43    5 f  978.934   7.4760  3318.88   50.653  3183.90   98.914  3366.86   58.971  957.711   14.923  985.855   8.6427 -28.14410 17.24481 
1 1 1   11   43    6 o   72.072   18.367   18.769   9.1883   36.902   20.459   14.188   10.284  101.131   28.180   64.441   20.495 36.69056 34.84429 
1 1 1   11   43    7 o  452.833   5.4469  710.047   17.071  666.829   34.543  724.013   19.637  438.387   11.385  457.223   6.2054 -18.83646 12.96599 
1 1 1   11   43    9 o  292.538   5.1511  296.395   10.429  265.707   24.548  303.154   11.521  276.386   12.833  295.831   5.6268 -19.44461 14.01244 
1 1 1   11   43   10 o  211.776   8.1464  155.593   11.940   0.0000   0.0000  155.593   11.940  ?   ?   211.776   8.1464 0.000000 8.146367 
1 1 1   11   43   11 o  220.580   4.8350  168.557   7.3815  179.512   21.383  167.075   7.8650  226.375   13.712  219.591   5.1749 6.784088 14.65622 
1 1 1   11   43   12 o  234.895   8.9304  191.789   14.518  202.488   21.570  182.927   19.631  240.418   13.011  228.595   12.455 11.82379 18.01171 
1 1 1   11   43   13 o   72.521   21.538   19.076   11.597   40.585   17.185   1.0868   15.715  104.259   24.269   55.299   23.507 48.95956 33.78739 
1 1 1   11   43   14 o   34.559   16.434 -13.1392   10.730 -30.2049   15.954   0.9561   14.500   37.317   18.282   52.953   22.546 -15.63513 29.02721 
1 1 1   11   43   15 o  134.044   14.463   64.170   13.206   65.756   17.636   62.146   19.923  134.046   19.588  128.898   23.185 5.147430 30.35161 
1 1 1   11   43   16 o  108.839   26.318   46.098   19.607   0.0000   0.0000   46.098   19.607  ?   ?   108.839   26.318 0.000000 26.31781 
1 1 1   11   45    0 o  387.769   5.5018  520.539   14.766  499.342   20.247  544.619   21.580  379.725   7.7040  396.562   7.8627 -16.83621 11.00788 
1 1 1   11   45    1 o  468.024   5.3816  758.293   17.432  751.520   24.279  765.501   25.045  465.849   7.5303  470.155   7.6967 -4.305908 10.76773 
1 1 1   11   45    2 o  134.629   12.223   63.358   11.265   49.317   20.485   69.445   13.487  116.607   26.041  140.788   14.028 -24.18117 29.57896 
1 1 1   11   45    3 o  556.482   5.5008  1072.09   21.186  1036.97   29.104  1111.68   30.900  547.182   7.6851  566.538   7.8805 -19.35614 11.00742 
1 1 1   11   45    4 o  362.724   5.3365  455.504   13.397  428.538   17.971  489.235   20.099  351.752   7.3818  375.823   7.7272 -24.07080 10.68645 
1 1 1   11   45    5 o  746.835   7.4454  1932.11   38.485  1908.29   65.903  1944.43   47.408  741.486   12.842  749.023   9.1449 -7.536438 15.76516 
1 1 1   11   45    6 o  353.863   12.059  434.683   29.534  434.683   29.534   0.0000   0.0000  353.863   12.059  ?   ?  0.000000 12.05884 
1 1 1   11   45    7 o  519.547   5.4795  934.829   19.703  934.634   41.025  934.888   22.464  518.822   11.425  519.503   6.2477 -0.6810303 13.02166 
1 1 1   11   45    8 o  174.161   8.0145  105.173   9.6606   85.268   19.712  111.465   11.083  155.044   18.751  179.252   8.9333 -24.20740 20.77017 
1 1 1   11   45    9 o  232.156   5.7252  186.736   9.1992  132.244   21.578  198.840   10.170  193.892   16.229  239.540   6.1341 -45.64864 17.34969 
1 1 1   11   45   10 o  350.404   6.0994  425.593   14.792  419.415   27.341  428.151   17.589  347.150   11.380  351.339   7.2333 -4.188904 13.48382 
1 1 1   11   45   11 o  227.321   4.8949  179.049   7.7012  185.317   20.900  178.064   8.2841  229.996   13.184  226.671   5.2804 3.324432 14.20254 
1 1 1   11   45   12 o  307.513   8.0950  328.599   17.229  345.854   24.699  312.244   24.045  314.862   11.334  299.111   11.615 15.75034 16.22854 
1 1 1   11   45   13 o  110.844   22.648   45.629   16.788   45.629   16.788   0.0000   0.0000  110.844   22.648  ?   ?  0.000000 22.64787 
1 1 1   11   45   14 f  186.818   10.327  122.319   13.301  101.902   17.975  147.024   19.774  169.074   15.535  203.808   14.105 -34.73433 20.98277 
1 1 1   11   45   15 o   46.063   19.989  -0.9147   11.814  -1.2751   16.171  -0.5020   17.303   53.418   23.281   55.803   24.203 -2.385323 33.58262 
1 1 1   11   45   16 o   66.798   22.518   15.877   12.336   44.190   17.840 -10.0683   17.077  106.686   24.655   48.450   22.263 58.23569 33.21882 
1 1 1   11   47    0 o  352.228   5.5973  429.545   13.645  423.096   18.717  436.861   19.935  349.496   7.7376  355.120   8.1110 -5.623260 11.20973 
1 1 1   11   47    1 o  517.849   5.4634  928.455   19.581  905.532   27.060  953.649   28.370  511.300   7.6469  524.697   7.8122 -13.39777 10.93182 
1 1 1   11   47    2 o  445.761   6.0732  688.050   18.737  655.610   30.175  708.408   23.904  434.893   10.025  452.226   7.6372 -17.33279 12.60261 
1 1 1   11   47    3 o  406.690   6.3337  572.786   17.828  572.195   31.639  573.062   21.580  406.160   11.255  406.719   7.6662 -0.5587769 13.61788 
1 1 1   11   47    4 o  310.717   8.1650  334.555   17.559   0.0000   0.0000  334.555   17.559  ?   ?   310.717   8.1650 0.000000 8.164952 
1 1 1   11   47    5 o  147.594   10.168   75.922   10.323  102.098   21.461   68.042   11.775  170.105   18.528  139.436   12.328 30.66866 22.25477 
1 1 1   11   47    7 o  393.647   5.4435  536.739   14.831  537.561   32.204  536.517   16.708  393.273   11.831  393.517   6.1346 -0.2444153 13.32721 
1 1 1   11   47    8 o  115.213   10.151   46.462   8.0114   41.356   18.531   47.636   8.8846  106.000   25.557  116.536   11.152 -10.53532 27.88382 
1 1 1   11   47    9 o  224.923   5.8461  175.327   9.1007  166.829   20.590  177.390   10.146  218.270   13.699  226.204   6.4803 -7.934647 15.15447 
1 1 1   11   47   10 o  205.934   5.6937  146.999   8.1152  118.976   20.201  152.391   8.8617  183.554   16.063  209.652   6.1072 -26.09767 17.18482 
1 1 1   11   47   11 o   88.950   9.2229   27.810   5.5954   21.834   16.801   28.556   5.9342   79.325   26.270   90.079   9.6695 -10.75447 27.99333 
1 1 1   11   47   12 o  154.857   16.577   85.512   17.491   85.512   17.491   0.0000   0.0000  154.857   16.577  ?   ?  0.000000 16.57700 
1 1 1   11   47   13 o   76.110   21.416   21.426   11.757   49.951   16.474  -8.1805   16.784  116.301   21.250   49.846   22.582 66.45428 31.00828 
1 1 1   11   47   14 o   69.366   22.566   17.158   12.417   17.088   16.999   17.239   18.180   72.621   26.292   73.772   27.116 -1.151146 37.76970 
1 1 1   11   47   15 o  148.984   13.421   79.126   13.690   59.512   19.268   99.122   19.455  125.422   23.045  165.408   17.248 -39.98610 28.78495 
1 1 1   11   49    0 o  427.709   6.2553  633.571   18.517  622.755   21.982  660.000   34.362  423.968   7.4913  436.131   11.384 -12.16312 13.62739 
1 1 1   11   49    1 o  294.288   6.6025  299.978   13.448  258.780   21.206  327.690   17.392  273.097   11.219  307.505   8.1720 -34.40842 13.87998 
1 1 1   11   49    2 o  583.743   5.6289  1180.03   22.742  1142.06   31.295  1222.51   33.104  574.084   7.8764  593.940   8.0530 -19.85541 11.26442 
1 1 1   11   49    3 o  506.967   5.3891  890.029   18.909  842.774   25.701  945.792   27.919  493.163   7.5298  522.418   7.7216 -29.25439 10.78526 
1 1 1   11   49    4 o  403.250   5.3322  563.140   14.882  571.559   20.665  554.071   21.448  406.118   7.3521  399.826   7.7509 6.292328 10.68313 
1 1 1   11   49    5 o  284.452   12.486  281.268   24.582  281.268   24.582   0.0000   0.0000  284.452   12.486  ?   ?  0.000000 12.48625 
1 1 1   11   49    6 o  254.591   10.330  225.082   18.203  233.658   25.006  215.415   26.548  258.646   14.021  248.046   15.542 10.60031 20.93247 
1 1 1   11   49    7 o  256.491   6.2491  227.992   11.093  215.951   24.102  231.228   12.496  248.505   14.071  258.258   6.9909 -9.752686 15.71181 
1 1 1   11   49    8 o  242.635   6.7372  204.125   11.314   0.0000   0.0000  204.125   11.314  ?   ?   242.635   6.7372 0.000000 6.737236 
1 1 1   11   49    9 o  349.030   5.1503  422.128   12.441  405.073   26.401  426.996   14.106  341.076   11.184  350.974   5.8070 -9.898804 12.60174 
1 1 1   11   49   10 o  331.054   5.0055  379.816   11.469  372.585   25.775  381.601   12.807  326.900   11.392  331.773   5.5772 -4.872864 12.68393 
1 1 1   11   49   11 o   64.273   12.906   14.961   5.5418   23.663   16.481   13.852   5.8845   81.309   25.954   61.649   14.098 19.65973 29.53559 
1 1 1   11   49   12 o  191.543   10.132  128.359   13.385  148.683   19.456  110.098   18.442  205.281   13.774  176.098   15.283 29.18256 20.57398 
1 1 1   11   49   13 o   91.279   20.249   31.042   12.457   43.527   17.489   18.185   17.748  107.286   24.138   74.656   26.889 32.63001 36.13385 
1 1 1   11   49   14 o   50.543   22.722  -6.1220   16.614   0.0000   0.0000  -6.1220   16.614  ?   ?    50.543   22.722 0.000000 22.72174 
1 1 1   11   49   15 o   66.315   22.869   15.381   12.736   32.556   19.438   2.4605   16.859   91.168   28.058   57.008   24.293 34.15967 37.11379 
1 1 1   11   51    0 o  150.162   10.277   78.612   10.616   97.073   16.638   65.933   13.788  166.390   14.595  136.852   14.792 29.53752 20.78043 
1 1 1   11   51    1 o  224.903   6.6289  175.247   10.318  170.937   14.251  179.995   14.960  221.996   9.2752  227.789   9.4890 -5.793350 13.26913 
1 1 1   11   51    2 o  289.135   5.8806  289.578   11.768  302.347   16.401  276.027   16.895  295.319   8.0241  282.131   8.6521 13.18787 11.80025 
1 1 1   11   51    3 o  394.728   5.3502  539.647   14.617  522.169   20.139  559.102   21.248  388.126   7.4969  401.604   7.6442 -13.47809 10.70693 
1 1 1   11   51    4 o  310.957   7.9136  335.282   17.031  330.390   25.593  339.171   22.817  308.283   11.995  312.514   10.549 -4.230774 15.97377 
1 1 1   11   51    5 o  135.093   9.1331   63.626   8.4892   67.472   11.352   58.746   12.787  138.784   11.934  129.011   14.577 9.772430 18.83880 
1 1 1   11   51    6 o  379.234   5.7288  498.329   15.037  497.073   30.842  498.720   17.222  377.978   11.790  379.308   6.5602 -1.329926 13.49200 
1 1 1   11   51    7 o  220.822   7.7702  169.192   11.875   0.0000   0.0000  169.192   11.875  ?   ?   220.822   7.7702 0.000000 7.770198 
1 1 1   11   51    8 f  323.704   5.5382  363.167   12.408  391.659   26.919  355.481   13.982  335.297   11.600  320.188   6.3092 15.10959 13.20479 
1 1 1   11   51    9 o  423.718   5.9798  622.570   17.537  574.146   31.090  645.166   21.238  405.904   11.067  431.156   7.1170 -25.25247 13.15757 
1 1 1   11   51   10 o  131.752   8.2886   60.579   7.5196   60.293   18.857   60.633   8.1997  128.310   22.028  131.705   9.0503 -3.394821 23.81447 
1 1 1   11   51   11 o  161.258   8.8405   90.798   9.8291  101.219   19.311   87.154   11.419  168.422   16.791  157.683   10.524 10.73936 19.81586 
1 1 1   11   51   12 o  112.926   6.3254   44.427   4.9239   25.922   17.645   45.990   5.1276   84.108   26.856  114.883   6.4753 -30.77479 27.62537 
1 1 1   11   51   13 o  131.055   21.180   63.610   18.556   0.0000   0.0000   63.610   18.556  ?   ?   131.055   21.180 0.000000 21.17961 
1 1 1   11   51   14 o   77.569   22.403   22.760   12.701   27.317   17.833   18.068   18.093   84.796   26.990   73.887   27.067 10.90862 38.22449 
1 1 1   11   53    0 o  214.646   6.8239  159.678   10.137  162.624   13.923  156.355   14.789  216.478   9.2928  212.212   10.069 4.265656 13.70204 
1 1 1   11   53    1 o   89.671   16.580   28.951   9.9111   24.520   11.580   41.088   19.165   82.025   20.464  105.731   26.299 -23.70627 33.32289 
1 1 1   11   53    2 o  378.972   5.4140  497.498   14.200  492.323   19.604  503.210   20.597  376.822   7.5169  380.937   7.8123 -4.114624 10.84144 
1 1 1   11   53    3 o  305.612   5.6863  323.585   12.028  313.052   16.390  335.875   17.705  300.438   7.8824  311.167   8.2210 -10.72903 11.38933 
1 1 1   11   53    4 o  259.055   5.9755  232.553   10.714  242.480   14.799  221.618   15.531  264.376   8.0876  252.683   8.8808 11.69342 12.01158 
1 1 1   11   53    5 o  190.872   6.9500  126.329   9.1814  130.250   12.415  121.597   13.640  193.661   9.2625  186.719   10.599 6.942673 14.07560 
1 1 1   11   53    6 o  200.804   7.6225  139.910   10.594  139.366   22.515  140.064   12.006  198.783   16.514  200.839   8.6371 -2.056931 18.63653 
1 1 1   11   53    7 o  161.220   11.334   90.974   12.566  145.171   21.482   62.783   15.493  203.027   15.402  132.619   17.291 70.40825 23.15607 
1 1 1   11   53    8 o  298.571   5.9507  309.121   12.297  353.171   29.414  299.792   13.536  317.827   13.372  293.956   6.6534 23.87112 14.93569 
1 1 1   11   53    9 o  159.293   7.6017   88.143   8.3808   96.878   19.176   86.081   9.3178  164.921   17.046  157.104   8.6021 7.817352 19.09317 
1 1 1   11   53   10 o  152.001   8.4356   80.628   8.8396   81.756   18.614   80.299   10.044  150.822   18.200  151.499   9.6294 -0.6770020 20.59018 
1 1 1   11   53   11 o   41.650   17.205   1.9631   8.0577  -6.8683   16.692   4.6464   9.2007   50.534   22.741   47.555   18.828 2.978970 29.52377 
1 1 1   11   53   12 o   78.282   9.2318   21.679   4.9056  -8.4732   19.413   23.735   5.0702   53.746   24.323   81.984   9.0883 -28.23842 25.96591 
1 1 1   11   53   13 o   58.044   22.166   9.2262   12.396 -23.6488   18.767   34.668   16.510   44.565   21.341   94.857   24.850 -50.29181 32.75591 
1 1 1   11   55    0 o   62.407   18.365   13.881   8.4634   12.454   11.472   15.584   12.536   62.537   21.697   68.165   22.698 -5.628334 31.40058 
1 1 1   11   55    1 o  142.657   9.1035   70.941   8.9415   74.004   12.237   67.433   13.097  145.294   12.284  138.393   13.859 6.900970 18.51993 
1 1 1   11   55    2 o   90.308   15.925   29.333   9.5896   23.277   11.056   47.727   19.269   79.828   20.041  113.862   25.125 -34.03341 32.13898 
1 1 1   11   55    3 o  104.143   12.020   38.256   8.5049   41.150   11.216   34.340   13.045  107.420   15.538   97.063   20.081 10.35753 25.39055 
1 1 1   11   55    4 o  293.768   7.7359  299.455   15.729  299.455   15.729   0.0000   0.0000  293.768   7.7359  ?   ?  0.000000 7.735873 
1 1 1   11   55    5 o   90.242   16.620   29.433   9.9977   21.888   18.220   32.683   11.959   80.620   27.365   94.753   18.898 -14.13280 33.25630 
1 1 1   11   55    6 o  184.977   8.7379  118.892   11.187  100.195   20.833  126.467   13.261  167.734   18.239  190.385   10.100 -22.65097 20.84907 
1 1 1   11   55    7 o  214.174   7.1869  159.225   10.653  154.976   22.151  160.504   12.151  209.615   15.376  214.937   8.1681 -5.321793 17.41081 
1 1 1   11   55    8 o  129.080   9.8925   58.368   8.7705   83.707   20.214   52.492   9.7345  152.433   19.615  122.067   11.664 30.36587 22.82114 
1 1 1   11   55    9 o   52.649   18.379   8.8498   8.2374   22.746   17.958   5.1469   9.2701   80.733   27.169   48.466   18.990 32.26727 33.14757 
1 1 1   11   55   10 o   37.616   16.412  -1.3554   8.0546 -43.5512   16.630   11.577   9.2065   34.194   17.080   58.296   19.454 -24.10149 25.88770 
1 1 1   11   55   11 o   92.910   10.589   30.581   6.6874   15.673   18.994   32.690   7.1449   72.900   27.534   96.027   10.946 -23.12722 29.63016 
1 1 1   11   55   12 o  147.485   6.2716   75.617   6.4019   93.805   23.257   74.126   6.6591  159.145   21.679  145.989   6.5905 13.15558 22.65828 
1 1 1   11   55   13 o  116.297   17.703   49.816   13.800   45.546   20.118   53.610   18.965  107.338   27.081  117.998   24.038 -10.66067 36.21080 
1 1 1   11   57    0 o  460.871   6.3936  736.422   20.394  726.341   35.626  741.336   24.872  456.797   11.269  462.197   7.7752 -5.399597 13.69067 
1 1 1   11   57    1 o  159.158   8.3457   88.185   9.1611   95.424   12.547   79.920   13.408  165.223   11.036  150.831   12.970 14.39157 17.02916 
1 1 1   11   57    2 o  358.389   6.2796  445.328   15.576  465.616   19.347  407.951   26.261  366.296   7.6314  342.334   11.084 23.96191 13.45669 
1 1 1   11   57    3 o  200.041   6.9281  138.814   9.5921  146.816   13.117  129.617   14.063  205.536   9.2209  192.706   10.584 12.82961 14.03755 
1 1 1   11   57    4 f  161.670   7.9228   90.751   8.8651   92.204   12.153   89.100   12.961  162.361   10.878  159.437   11.829 2.924377 16.07042 
1 1 1   11   57    5 o  154.919   8.9740   83.711   9.5808   76.293   14.443   89.541   12.803  146.934   14.387  159.820   11.655 -12.88617 18.51561 
1 1 1   11   57    6 o   26.727   12.941 -12.0827   7.3694 -13.3134   9.9404 -10.5809   10.981   32.677   15.616   36.885   17.256 -4.208248 23.27312 
1 1 1   11   57    7 o  277.438   6.1910  267.068   11.888  277.561   24.720  263.911   13.559  281.656   12.681  275.678   7.1061 5.977203 14.53647 
1 1 1   11   57    8 o   59.747   21.186   11.277   10.977   27.678   18.269   2.0114   13.732   86.960   27.274   52.716   22.168 34.24360 35.14705 
1 1 1   11   57    9 o  133.237   10.710   62.427   9.7933   0.0000   0.0000   62.427   9.7933  ?   ?   133.237   10.710 0.000000 10.71050 
1 1 1   11   57   10 o  171.458   8.3243  102.422   9.8783  104.878   20.612  101.689   11.255  170.663   17.708  170.396   9.5825 0.2675018 20.13431 
1 1 1   11   57   11 o   37.766   15.965   0.6537   7.1836   0.0000   0.0000   0.6537   7.1836  ?   ?    37.766   15.965 0.000000 15.96548 
1 1 1   11   57   12 o   85.593   10.373   26.078   6.0193   44.161   21.166   24.487   6.2785  105.467   28.375   82.694   11.263 22.77242 30.52874 
1 1 1   11   59    0 o  333.116   5.6491  384.675   13.024  390.394   18.122  378.565   18.731  335.318   7.8087  330.142   8.1975 5.175201 11.32143 
1 1 1   11   59    1 o  108.652   13.327   41.852   9.8119   28.436   12.035   68.439   16.943   87.970   20.195  138.264   18.144 -50.29450 27.14794 
1 1 1   11   59    2 o  111.213   11.544   43.577   8.7564   44.943   11.739   41.864   13.147  112.177   15.537  107.556   18.318 4.620544 24.01954 
1 1 1   11   59    3 o  177.309   8.6632  109.276   10.631  127.912   12.486   60.146   20.273  191.758   9.4078  127.848   23.786 63.90955 25.57935 
1 1 1   11   59    4 o  267.106   6.4948  247.546   12.007  244.927   18.627  249.408   15.705  265.189   10.149  267.863   8.4713 -2.673676 13.21957 
1 1 1   11   59    5 o   92.998   12.659   30.787   7.9365   28.284   10.758   33.775   11.755   87.877   18.284   96.215   18.322 -8.337357 25.88446 
1 1 1   11   59    6 o   67.060   19.330   16.355   9.4638   3.9888   17.199   21.726   11.334   60.075   25.002   76.755   20.812 -16.68031 32.53053 
1 1 1   11   59    7 o  134.499   10.071   63.450   9.3069   67.561   19.412   62.222   10.605  135.833   21.353  132.886   11.649 2.947296 24.32368 
1 1 1   11   59    8 o  132.945   10.010   62.040   9.1428   64.780   19.388   61.257   10.368  132.526   21.903  131.804   11.480 0.7220001 24.72886 
1 1 1   11   59    9 o  167.987   9.0750   98.726   10.512  133.512   21.534   87.843   12.045  193.301   16.246  157.999   11.085 35.30200 19.66764 
1 1 1   11   59   10 o   80.082   15.963   23.576   8.5369   0.0000   0.0000   23.576   8.5369  ?   ?    80.082   15.963 0.000000 15.96263 
1 1 1   11   59   11 o   48.324   16.724   7.6870   6.8138 -12.6927   18.704   10.806   7.3166   49.700   23.002   54.930   17.266 -5.230240 28.76066 
1 1 1   11   61    0 o  143.913   10.303   72.520   10.194   75.510   12.484   66.537   17.658  146.483   12.431  135.788   19.335 10.69496 22.98660 
1 1 1   11   61    1 o  211.315   8.2489  155.208   12.064  173.707   21.495  146.701   14.577  222.205   14.049  204.937   10.310 17.26744 17.42633 
1 1 1   11   61    2 o   45.354   17.805   4.3541   8.1628   4.3179   10.883   4.4007   12.342   50.349   20.294   52.957   21.517 -2.607559 29.57740 
1 1 1   11   61    3 o  132.127   10.256   61.208   9.3056   78.683   14.340   48.497   12.231  149.143   14.058  116.436   15.567 32.70700 20.97492 
1 1 1   11   61    4 o  106.555   11.101   40.059   8.0667   39.699   11.080   40.466   11.767  105.076   15.719  105.888   16.602 -0.8114929 22.86248 
1 1 1   11   61    5 o  171.848   7.6661  102.661   9.1179  110.172   12.542   94.241   13.279  177.418   10.258  163.735   11.797 13.68365 15.63266 
1 1 1   11   61    6 o  109.797   11.017   42.550   8.2589   44.195   11.269   40.640   12.139  111.011   15.056  105.824   17.162 5.186775 22.82991 
1 1 1   11   61    7 o  151.391   10.504   80.482   10.938   58.780   19.745   90.090   13.138  125.404   23.616  159.882   11.960 -34.47762 26.47171 
1 1 1   11   61    8 o   82.676   15.212   24.919   8.3839   9.2878   18.851   28.773   9.3606   66.453   26.736   88.839   15.803 -22.38525 31.05681 
1 1 1   11   61    9 o  152.862   8.5393   81.782   8.9982   92.049   21.388   79.574   9.9187  158.471   19.942  150.561   9.5681 7.910004 22.11881 
1 1 1   11   61   10 o   58.659   18.139   12.472   8.1125   25.376   19.877   9.8935   8.8862   83.066   28.575   54.669   19.089 28.39749 34.36426 
1 1 1   11   63    0 o  194.215   8.9918  131.319   12.087  123.122   20.236  135.865   15.070  186.249   15.849  196.935   11.102 -10.68599 19.35054 
1 1 1   11   63    1 o  211.318   6.8338  155.077   9.9949  146.885   13.582  164.752   14.761  205.318   9.5578  217.407   9.8102 -12.08900 13.69637 
1 1 1   11   63    2 o  207.908   6.8809  150.131   9.9013  157.511   13.898  142.523   14.110  212.615   9.4445  202.150   10.085 10.46527 13.81666 
1 1 1   11   63    3 o   70.952   16.648   18.499   8.0348   17.710   10.931   19.425   11.850   69.847   20.949   72.984   21.793 -3.137062 30.22917 
1 1 1   11   63    4 o  205.795   7.9541  147.339   11.329  166.381   13.606  104.293   20.457  218.529   8.9961  170.571   17.580 47.95763 19.74835 
1 1 1   11   63    5 o  158.514   8.0905   87.684   8.8465   95.868   12.448   79.331   12.575  165.210   10.948  149.934   12.224 15.27693 16.41038 
1 1 1   11   63    6 o   50.218   18.547   7.2641   8.5219   7.1208   10.743   7.5073   13.996   53.352   20.570   58.534   23.208 -5.181957 31.01162 
1 1 1   11   63    7 o   82.485   17.321   25.135   9.5735   25.717   19.087   24.939   11.066   83.979   28.010   81.661   19.787 2.317345 34.29401 
1 1 1   11   63    8 o   64.952   17.800   15.633   8.2397 -20.2634   19.166   23.773   9.1261   46.787   22.166   80.119   16.985 -33.33194 27.92498 
1 1 1   11   65    0 o  157.193   8.6752   86.322   9.4016  100.975   12.704   68.581   13.979  169.614   10.879  138.730   14.787 30.88342 18.35774 
1 1 1   11   65    1 o  136.486   9.3747   65.258   8.8020   75.269   12.145   54.184   12.774  146.063   12.124  122.981   15.341 23.08183 19.55365 
1 1 1   11   65    2 o  121.665   14.937   52.976   12.314   0.0000   0.0000   52.976   12.314  ?   ?   121.665   14.937 0.000000 14.93733 
1 1 1   11   65    3 o   45.584   17.758   4.7475   8.0711  -4.7803   11.173   15.146   11.672   41.475   18.640   65.986   21.899 -24.51126 28.75776 
1 1 1   11   65    4 o   59.888   17.894   12.979   7.9868   17.272   11.221   8.5700   11.371   68.998   21.332   56.168   21.282 12.83040 30.13300 
1 1 1   11   65    5 o  140.025   9.9335   68.879   9.5643   67.817   12.115   70.634   15.581  138.258   12.806  140.059   16.383 -1.801559 20.79474 
1 1 1   11   65    6 o  118.332   10.336   49.399   8.3804   46.913   11.782   51.945   11.922  113.996   15.321  120.256   14.626 -6.259697 21.18127 
1 1 1   11   65    7 o   68.829   16.883   17.626   7.9819   7.4623   10.911   29.327   11.707   53.727   20.726   88.360   19.652 -34.63295 28.56150 
1 1 1   11   67    0 o  106.284   14.811   40.669   10.599   28.722   12.351   74.049   20.644   87.563   20.705  141.525   21.774 -53.96185 30.04686 
1 1 1   11   67    1 o  128.888   11.672   58.743   10.299   54.683   17.714   60.816   12.659  121.145   21.934  130.495   14.247 -9.349640 26.15531 
1 1 1   11   67    2 o   47.936   18.234   6.0077   8.3677   22.406   11.791 -10.6291   11.877   77.389   21.329   38.579   18.015 38.80951 27.91884 
1 1 1   11   67    3 o   99.207   15.154   35.644   10.075   36.317   17.901   35.332   12.188   97.180   26.073   97.724   18.702 -0.5437317 32.08703 
1 1 1   11   67    4 o   50.361   18.010   7.9309   7.9485   12.722   11.109   2.9056   11.377   61.531   21.351   49.093   20.376 12.43800 29.51325 
1 1 1   11   67    5 o  101.310   14.965   37.214   10.177   35.614   11.710   42.151   20.571   98.154   17.897  103.594   28.017 -5.440628 33.24526 
1 1 1   11   69    0 o   95.057   16.366   33.106   10.379   19.673   17.237   40.745   12.999   75.348   26.567  104.958   18.574 -29.61008 32.41558 
1 1 1   11   69    1 o   55.963   18.648   10.833   8.4608   12.039   11.520   9.4204   12.466   60.816   21.689   58.361   22.243 2.454739 31.06703 
1 1 1   11   69    2 o   92.347   14.222   30.908   8.7983   46.754   12.202   13.746   12.699  113.420   15.987   64.266   22.787 49.15414 27.83586 
1 1 1   12    0    0 o  631.502   7.4798  1380.73   32.682  1380.73   32.682  1380.73   32.682  631.502   7.4798  631.502   7.4798 0.000000 0.000000 
1 1 1   12    0    1 o  1379.76   13.538  6591.40  129.254  6591.40  129.254  6591.40  129.254  1379.76   13.538  1379.76   13.538 0.000000 0.000000 
1 1 1   12    0    2 o  180.006   6.9978  112.645   8.6882  112.645   8.6882  112.645   8.6882  180.006   6.9978  180.006   6.9978 0.000000 0.000000 
1 1 1   12    0    3 o  383.606   6.1796  509.666   16.397  509.666   16.397  509.666   16.397  383.606   6.1796  383.606   6.1796 0.000000 0.000000 
1 1 1   12    0    4 o  118.716   9.5854   49.731   7.7577   49.731   7.7577   49.731   7.7577  118.716   9.5854  118.716   9.5854 0.000000 0.000000 
1 1 1   12    0    5 o  450.675   6.5831  703.440   20.524  703.440   20.524  703.440   20.524  450.675   6.5831  450.675   6.5831 0.000000 0.000000 
1 1 1   12    0    6 o  1042.98   15.129  3770.73  109.155  3770.73  109.155  3770.73  109.155  1042.98   15.129  1042.98   15.129 0.000000 0.000000 
1 1 1   12    0    7 o   81.459   17.347   25.869   8.5955   25.869   8.5955   25.869   8.5955   81.459   17.347   81.459   17.347 0.000000 0.000000 
1 1 1   12    0    8 o  523.629   7.0944  949.514   25.700  949.514   25.700  949.514   25.700  523.629   7.0944  523.629   7.0944 0.000000 0.000000 
1 1 1   12    0    9 o  396.741   6.9331  545.277   19.024  545.277   19.024  545.277   19.024  396.741   6.9331  396.741   6.9331 0.000000 0.000000 
1 1 1   12    0   10 o   47.770   24.735   11.528   10.551   11.528   10.551   11.528   10.551   47.770   24.735   47.770   24.735 0.000000 0.000000 
1 1 1   12    0   11 o  228.837   8.9391  182.102   14.109  182.102   14.109  182.102   14.109  228.837   8.9391  228.837   8.9391 0.000000 0.000000 
1 1 1   12    0   12 o  614.579   11.121  1309.27   47.269  1309.27   47.269  1309.27   47.269  614.579   11.121  614.579   11.121 0.000000 0.000000 
1 1 1   12    0   13 o  157.867   12.546   87.974   13.509   87.974   13.509   87.974   13.509  157.867   12.546  157.867   12.546 0.000000 0.000000 
1 1 1   12    0   14 o   65.340   28.143   21.224   13.069   21.224   13.069   21.224   13.069   65.340   28.143   65.340   28.143 0.000000 0.000000 
1 1 1   12    0   15 o  471.993   7.5494  772.519   24.648  772.519   24.648  772.519   24.648  471.993   7.5494  471.993   7.5494 0.000000 0.000000 
1 1 1   12    0   16 o  281.783   11.546  277.512   22.431  277.512   22.431  277.512   22.431  281.783   11.546  281.783   11.546 0.000000 0.000000 
1 1 1   12    0   17 o  422.576   7.5125  620.567   21.956  620.567   21.956  620.567   21.956  422.576   7.5125  422.576   7.5125 0.000000 0.000000 
1 1 1   12    0   18 o   49.359   26.515   12.982   12.489   12.982   12.489   12.982   12.489   49.359   26.515   49.359   26.515 0.000000 0.000000 
1 1 1   12    0   19 o   98.135   31.864   45.941   19.144   45.941   19.144   45.941   19.144   98.135   31.864   98.135   31.864 0.000000 0.000000 
1 1 1   12    0   20 o   62.675   26.730   21.358   11.809   21.358   11.809   21.358   11.809   62.675   26.730   62.675   26.730 0.000000 0.000000 
1 1 1   12    0   21 o   33.316   21.467   2.8872   11.436   2.8872   11.436   2.8872   11.436   33.316   21.467   33.316   21.467 0.000000 0.000000 
1 1 1   12    2    0 o  531.158   4.8578  976.401   17.858  949.915   24.810  1004.88   25.726  523.885   6.8424  538.828   6.8985 -14.94287 9.716322 
1 1 1   12    2    1 o  1047.30   7.5567  3796.42   54.775  3803.09   77.570  3789.78   77.356  1048.12   10.693  1046.28   10.682 1.836060 15.11482 
1 1 1   12    2    2 o  429.062   6.3360  637.168   18.815   0.0000   0.0000  637.168   18.815  ?   ?   429.062   6.3360 0.000000 6.335988 
1 1 1   12    2    3 o  350.296   4.3454  424.674   10.535  434.389   14.995  415.205   14.804  354.263   6.1157  346.352   6.1758 7.911652 8.691536 
1 1 1   12    2    4 o  292.278   4.4292  295.665   8.9598  314.859   12.968  278.132   12.394  301.595   6.2124  283.459   6.3175 18.13644 8.860309 
1 1 1   12    2    5 o  646.573   5.4141  1447.14   24.228  1479.03   34.926  1417.56   33.638  653.557   7.7212  639.839   7.5958 13.71802 10.83115 
1 1 1   12    2    6 o  376.294   5.2689  490.154   13.722  495.365   16.866  479.951   23.600  378.261   6.4425  372.243   9.1602 6.017487 11.19888 
1 1 1   12    2    7 o  923.478   6.8981  2952.40   44.089  2996.35   63.173  2910.66   61.561  930.135   9.8132  916.747   9.7023 13.38800 13.79980 
1 1 1   12    2    8 o  378.412   5.3986  495.635   14.139  497.366   17.336  492.195   24.436  379.054   6.6080  377.023   9.3647 2.031403 11.46136 
1 1 1   12    2    9 o  607.306   6.2362  1276.61   26.212  1238.54   44.708  1296.55   32.357  598.051   10.801  611.997   7.6391 -13.94574 13.22952 
1 1 1   12    2   10 o  628.659   5.5501  1367.90   24.148  1365.46   34.160  1370.33   34.142  628.045   7.8587  629.164   7.8406 -1.118713 11.10109 
1 1 1   12    2   11 o  474.958   5.2313  780.799   17.197  791.125   24.904  771.388   23.775  478.041   7.5270  472.046   7.2772 5.994904 10.46963 
1 1 1   12    2   12 o  770.694   6.2636  2056.20   33.410  2059.50   47.401  2052.93   47.099  771.175   8.8810  769.946   8.8383 1.228882 12.52947 
1 1 1   12    2   13 o  694.794   6.9168  1671.50   33.261  1647.55   40.331  1722.44   58.812  689.701   8.4488  704.892   12.055 -15.19037 14.72091 
1 1 1   12    2   14 o  350.481   5.6024  425.311   13.590  418.077   19.241  432.513   19.197  347.391   8.0027  353.345   7.8499 -5.954132 11.20995 
1 1 1   12    2   15 o  249.082   6.2685  214.928   10.806  223.154   15.236  206.599   15.330  253.682   8.6777  244.067   9.0749 9.614349 12.55617 
1 1 1   12    2   16 f  273.970   5.9453  260.111   11.273  268.855   16.028  251.550   15.859  278.352   8.3199  269.227   8.5110 9.124237 11.90201 
1 1 1   12    2   17 o  121.533   12.060   52.011   10.011   41.410   17.170   57.470   12.322  105.750   24.007  127.408   14.215 -21.65807 27.90049 
1 1 1   12    2   18 f  183.101   11.049  117.461   13.936  113.219   19.284  122.098   20.163  178.619   15.761  185.512   15.856 -6.892471 22.35659 
1 1 1   12    2   19 o   68.263   19.533   17.143   9.6957   12.488   17.959   19.058   11.519   68.671   26.563   72.033   21.481 -3.361900 34.16181 
1 1 1   12    2   20 o   68.844   19.689   17.650   9.8534   10.862   12.122   30.868   16.915   59.794   22.114   89.517   25.855 -29.72290 34.02190 
1 1 1   12    2   21 o  151.438   8.6322   80.599   9.0101   84.028   13.209   77.616   12.322  153.352   12.556  147.485   12.180 5.866852 17.49266 
1 1 1   12    4    0 o  135.277   8.7498   63.609   8.1483   63.609   8.1483   0.0000   0.0000  135.277   8.7498  ?   ?  0.000000 8.749842 
1 1 1   12    4    1 f  1024.35   7.4259  3631.85   52.647  3599.06   73.833  3665.77   75.092  1019.61   10.463  1029.02   10.544 -9.402893 14.85380 
1 1 1   12    4    2 o  429.474   4.4816  638.345   13.321  624.833   18.624  652.499   19.061  424.887   6.3334  434.191   6.3430 -9.304413 8.963517 
1 1 1   12    4    3 o  223.616   4.6521  173.061   7.2000  165.694   10.064  180.785   10.305  218.791   6.6460  228.539   6.5149 -9.747574 9.306642 
1 1 1   12    4    4 o  603.687   5.1945  1261.41   21.704  1260.05   30.695  1262.78   30.692  603.298   7.3512  603.953   7.3425 -0.6554565 10.39001 
1 1 1   12    4    5 o  706.013   6.5847  1725.71   32.175  1759.61   39.984  1663.42   54.198  712.833   8.1044  692.851   11.302 19.98169 13.90766 
1 1 1   12    4    6 o  300.930   4.6251  313.457   9.6330  313.567   13.495  313.343   13.755  300.949   6.4791  300.839   6.6060 0.1102295 9.252996 
1 1 1   12    4    7 o  1073.44   8.9676  3990.14   66.623  4021.98   82.337  3929.76  113.382  1077.52   11.041  1064.59   15.388 12.93115 18.93904 
1 1 1   12    4    8 o  672.346   5.6140  1564.67   26.124  1542.43   36.591  1587.80   37.309  667.481   7.9207  677.226   7.9598 -9.745300 11.22924 
1 1 1   12    4    9 o  198.842   6.0791  136.853   8.3662  133.389   11.833  140.316   11.830  196.288   8.7101  201.322   8.4902 -5.033875 12.16348 
1 1 1   12    4   10 o  1157.11   9.6097  4635.77   76.960  4697.07  135.523  4606.59   93.498  1164.11   16.821  1153.32   11.713 10.79419 20.49713 
1 1 1   12    4   11 o  426.610   5.1643  629.927   15.248  627.841   21.726  631.952   21.406  425.862   7.3711  427.257   7.2388 -1.394836 10.33119 
1 1 1   12    4   12 o  648.741   5.7543  1456.87   25.837  1484.27   37.063  1430.97   36.037  654.711   8.1792  642.853   8.0996 11.85852 11.51094 
1 1 1   12    4   13 o  471.224   5.3681  768.693   17.507  779.161   25.081  758.745   24.450  474.337   7.6396  468.086   7.5470 6.251495 10.73878 
1 1 1   12    4   14 o  290.183   6.7908  291.633   13.639  274.082   16.489  329.659   24.269  281.253   8.4705  308.300   11.374 -27.04700 14.18140 
1 1 1   12    4   16 o  166.964   8.1086   96.724   9.3701   90.934   13.414  102.240   13.094  161.184   12.113  171.107   11.117 -9.922913 16.44149 
1 1 1   12    4   17 o  143.243   10.528   71.816   10.365   60.049   17.682   77.976   12.793  128.765   20.530  148.956   12.525 -20.19148 24.04896 
1 1 1   12    4   18 o  278.267   6.7866  268.864   13.071  266.878   23.094  269.800   15.854  276.234   12.079  278.532   8.2242 -2.298431 14.61319 
1 1 1   12    4   19 o   96.923   12.983   33.593   8.4906   29.999   12.123   37.053   11.895   89.738   20.027  100.605   17.731 -10.86741 26.74844 
1 1 1   12    4   20 o   36.220   16.075  -2.4313   8.0389   1.4558   11.825  -5.7711   10.961   48.256   20.447   39.974   18.165 8.282288 27.34988 
1 1 1   12    4   21 o  170.928   8.9587  102.738   10.561  105.484   13.250   97.951   17.491  172.457   11.160  164.283   15.569 8.173431 19.15561 
1 1 1   12    6    0 o  909.129   6.7782  2860.69   42.650  2773.74   58.598  2958.65   62.195  895.135   9.4583  924.482   9.7203 -29.34686 13.56263 
1 1 1   12    6    1 o  883.820   6.6316  2703.64   40.566  2613.39   55.634  2806.08   59.275  868.875   9.2514  900.328   9.5125 -31.45294 13.26938 
1 1 1   12    6    2 o  559.795   4.9738  1084.56   19.271  1066.09   26.920  1103.96   27.599  554.979   7.0084  564.750   7.0608 -9.770386 9.948519 
1 1 1   12    6    3 o  587.637   5.1131  1195.17   20.796  1182.62   29.191  1208.10   29.633  584.500   7.2159  590.762   7.2474 -6.261841 10.22709 
1 1 1   12    6    4 o  917.980   6.8273  2917.29   43.377  2924.03   61.511  2910.61   61.179  918.865   9.6722  916.755   9.6422 2.109619 13.65731 
1 1 1   12    6    5 o  248.209   4.7192  213.248   8.1070  214.643   11.405  211.824   11.526  248.990   6.6180  247.348   6.7329 1.642380 9.440850 
1 1 1   12    6    6 o  873.093   7.6118  2639.54   45.997  2636.38   56.324  2645.85   79.698  872.440   9.3278  873.613   13.181 -1.173645 16.14777 
1 1 1   12    6    7 o  808.803   7.2362  2264.72   40.507  2242.02   49.249  2312.20   71.219  804.656   8.8433  816.888   12.597 -12.23199 15.39090 
1 1 1   12    6    8 o  288.217   4.8456  287.509   9.6659  281.778   13.611  293.340   13.729  285.308   6.8928  291.103   6.8143 -5.795715 9.692584 
1 1 1   12    6    9 o  193.648   6.2357  129.797   8.3575  135.506   12.046  124.499   11.605  197.839   8.7973  189.634   8.8421 8.205612 12.47299 
1 1 1   12    6   10 o  1136.18   9.4379  4469.49   74.216  4603.90  131.971  4407.32   89.754  1152.53   16.544  1128.11   11.495 24.42102 20.14593 
1 1 1   12    6   11 o  210.017   7.5633  152.698   10.994  172.878   20.770  144.844   12.958  222.956   13.524  204.525   9.1539 18.43129 16.33061 
1 1 1   12    6   12 o  349.891   5.3384  423.767   12.928  417.732   18.454  429.583   18.116  347.341   7.6765  352.239   7.4309 -4.898651 10.68395 
1 1 1   12    6   13 o  420.317   5.3303  611.580   15.506  618.641   22.149  604.792   21.716  422.661   7.5715  417.906   7.5079 4.755402 10.66277 
1 1 1   12    6   14 o  296.475   6.7224  304.421   13.794  305.652   17.003  302.049   23.593  297.013   8.2713  295.087   11.552 1.926758 14.20779 
1 1 1   12    6   15 o  607.435   5.6951  1278.03   23.943  1298.04   34.115  1258.61   33.611  611.893   8.0555  602.528   8.0600 9.365540 11.39534 
1 1 1   12    6   16 o  124.039   10.459   53.855   8.8955   43.475   12.710   63.821   12.454  110.151   17.237  134.636   13.549 -24.48477 21.92471 
1 1 1   12    6   17 o   48.444   20.436   1.1134   11.729  -1.5766   16.275   4.0200   16.918   54.195   23.489   59.999   24.869 -5.803818 34.20845 
1 1 1   12    6   18 o   73.297   16.612   19.701   8.2324   20.508   12.338   19.053   11.053   74.958   22.204   72.210   20.912 2.748047 30.50155 
1 1 1   12    6   19 o   73.133   16.444   19.713   8.1212   10.372   12.003   27.599   11.029   59.380   21.996   86.222   18.994 -26.84200 29.06212 
1 1 1   12    6   20 o  145.994   10.195   75.079   10.237   53.171   17.724   86.046   12.540  118.602   22.414  155.920   11.706 -37.31864 25.28648 
1 1 1   12    6   21 o   43.659   18.521   1.2354   9.7214  -0.7112   11.763   5.4293   17.266   45.598   19.865   59.576   24.944 -13.97802 31.88805 
1 1 1   12    8    0 o  515.409   4.8430  919.373   17.276  883.069   23.826  959.619   25.086  505.106   6.8154  526.543   6.8837 -21.43692 9.686883 
1 1 1   12    8    1 o  907.099   6.7672  2848.01   42.485  2770.70   58.509  2934.25   61.791  894.616   9.4496  920.633   9.6976 -26.01697 13.54019 
1 1 1   12    8    2 o  320.796   4.4065  356.161   9.7837  339.019   13.541  374.883   14.152  312.965   6.2514  329.103   6.2129 -16.13815 8.813652 
1 1 1   12    8    3 o  571.177   7.2223  1129.38   28.551  1095.12   39.632  1166.34   41.167  562.350   10.183  580.345   10.249 -17.99512 14.44743 
1 1 1   12    8    4 o  271.409   5.3679  254.982   10.083  245.562   12.152  275.805   18.067  266.331   6.5924  282.201   9.2504 -15.87009 11.35910 
1 1 1   12    8    5 o  243.027   6.7274  204.491   11.316  204.491   11.316   0.0000   0.0000  243.027   6.7274  ?   ?  0.000000 6.727358 
1 1 1   12    8    6 o  1176.06   8.3583  4789.69   68.034  4941.50   99.238  4655.06   93.452  1194.12   12.007  1159.04   11.650 35.07751 16.73000 
1 1 1   12    8    7 o  1367.48   9.5325  6475.70   90.220  6545.12  128.998  6409.23  126.229  1374.30   13.562  1359.98   13.411 14.32007 19.07279 
1 1 1   12    8    8 o  1034.48   7.5539  3704.66   54.084  3680.73   76.014  3729.19   76.967  1030.95   10.653  1037.72   10.716 -6.761230 15.11066 
1 1 1   12    8    9 o  142.355   8.7027   70.420   8.5332   65.512   14.046   73.290   10.743  136.674   15.101  145.084   10.775 -8.409256 18.55162 
1 1 1   12    8   10 o  1085.66   7.8951  4080.29   59.324  4155.71   85.523  4010.35   82.360  1095.44   11.280  1076.13   11.058 19.31274 15.79618 
1 1 1   12    8   11 o  1056.85   7.7554  3866.94   56.728  3938.68   81.809  3800.50   78.730  1066.37   11.085  1047.51   10.859 18.85352 15.51750 
1 1 1   12    8   12 o  849.882   7.7183  2501.00   45.400  2651.71   83.541  2437.83   54.083  874.565   13.802  838.972   9.3141 35.59247 16.65051 
1 1 1   12    8   13 o  950.746   8.3313  3130.83   54.822  3121.69   67.047  3149.27   95.227  949.148   10.206  952.700   14.442 -3.552734 17.68446 
1 1 1   12    8   14 o  501.742   5.4289  871.656   18.853  881.599   26.953  862.132   26.379  504.454   7.7198  498.859   7.6403 5.594879 10.86140 
1 1 1   12    8   15 f  528.173   5.5216  966.237   20.184  994.333   28.945  939.643   28.161  535.560   7.8089  520.622   7.8154 14.93762 11.04804 
1 1 1   12    8   16 o  176.041   10.437  108.105   12.659   0.0000   0.0000  108.105   12.659  ?   ?   176.041   10.437 0.000000 10.43674 
1 1 1   12    8   17 o  106.515   11.761   40.040   8.5256   34.115   12.527   45.151   11.636   96.621   19.407  112.478   15.348 -15.85709 24.74216 
1 1 1   12    8   18 o  100.698   12.071   35.966   8.2448   46.350   12.211   27.267   11.177  113.596   15.973   85.951   19.266 27.64468 25.02599 
1 1 1   12    8   19 o  192.858   7.1509  129.367   9.5451  110.421   14.116  145.326   12.956  177.090   11.581  204.076   9.1727 -26.98592 14.77353 
1 1 1   12    8   20 o   73.681   18.517   20.352   9.4315   17.772   12.037   24.454   15.178   69.664   22.175   80.445   24.800 -10.78082 33.26865 
1 1 1   12    8   21 o   94.898   13.619   32.751   8.6888   43.796   12.583   22.685   12.013  108.566   17.328   76.691   21.672 31.87542 27.74792 
1 1 1   12   10    0 o  1276.81   8.9605  5643.76   79.183  5490.60  108.838  5815.98  115.416  1259.13   12.489  1295.88   12.868 -36.74268 17.93246 
1 1 1   12   10    2 o  195.802   5.1345  132.694   6.9582  134.857   9.7542  130.453   9.9288  197.377   7.1404  194.125   7.3899 3.251480 10.27596 
1 1 1   12   10    3 o  466.300   5.4074  752.622   17.451  755.723   21.329  746.341   30.354  467.234   6.5956  464.242   9.4471 2.991730 11.52166 
1 1 1   12   10    4 o  955.127   9.9742  3160.12   65.935  3160.12   65.935   0.0000   0.0000  955.127   9.9742  ?   ?  0.000000 9.974238 
1 1 1   12   10    5 o  534.680   5.7590  989.678   21.312  976.155   25.692  1019.51   38.161  530.969   6.9911  542.470   10.164 -11.50110 12.33619 
1 1 1   12   10    6 o  802.130   7.2083  2227.63   40.018  2232.87   48.966  2217.07   69.445  802.980   8.8107  799.843   12.545 3.136902 15.32967 
1 1 1   12   10    7 o  760.790   6.0286  2003.51   31.744  1993.66   44.721  2013.51   45.066  758.819   8.5152  762.586   8.5386 -3.767578 12.05885 
1 1 1   12   10    8 o  471.695   5.6148  770.108   18.330  772.683   30.736  768.686   22.836  472.402   9.4006  471.234   7.0016 1.167694 11.72155 
1 1 1   12   10    9 o  853.330   6.5904  2520.48   38.923  2575.68   56.195  2469.58   53.963  862.517   9.4135  844.574   9.2317 17.94324 13.18481 
1 1 1   12   10   10 o  461.865   5.0551  738.318   16.159  754.339   23.397  723.705   22.345  466.812   7.2417  457.239   7.0609 9.573608 10.11429 
1 1 1   12   10   11 o  1360.04   9.5507  6405.50   89.901  6533.46  129.862  6287.74  124.581  1373.06   13.665  1347.03   13.363 26.02539 19.11291 
1 1 1   12   10   12 o  277.779   5.8056  267.111   11.162  270.130   15.864  264.151   15.707  279.298   8.2065  276.189   8.2171 3.108673 11.61321 
1 1 1   12   10   13 o  244.422   7.6064  206.900   12.868  229.024   24.065  198.042   15.227  256.585   13.600  239.090   9.2021 17.49513 16.42025 
1 1 1   12   10   14 o  596.038   5.6384  1230.17   23.260  1249.69   33.305  1211.59   32.499  600.557   8.0127  591.338   7.9405 9.218872 11.28074 
1 1 1   12   10   15 o  545.603   5.4940  1031.10   20.747  1051.08   30.083  1012.98   28.649  550.595   7.8944  540.554   7.6577 10.04138 10.99822 
1 1 1   12   10   16 f  227.055   7.6803  178.860   12.069  183.131   14.747  170.195   21.005  229.616   9.2795  220.437   13.838 9.179138 16.66107 
1 1 1   12   10   17 o  315.060   5.5307  344.119   12.060  341.413   17.224  346.722   16.892  313.522   7.9376  315.981   7.7238 -2.459351 11.07535 
1 1 1   12   10   18 o  215.563   6.5676  161.341   9.7985  161.097   14.188  161.562   13.549  215.004   9.5343  215.383   9.0889 -0.3788605 13.17232 
1 1 1   12   10   19 o  207.853   7.6549  150.396   11.012  146.851   14.047  156.049   17.739  204.982   9.9011  210.421   12.233 -5.439072 15.73775 
1 1 1   12   10   20 o  163.706   9.2063   94.062   10.389  118.976   19.312   83.917   12.324  181.978   15.480  153.937   11.653 28.04086 19.37635 
1 1 1   12   10   21 o   80.140   17.797   24.296   9.6140   15.985   17.564   27.851   11.488   69.999   26.468   85.226   19.846 -15.22739 33.08182 
1 1 1   12   12    0 o  815.836   6.2953  2303.87   35.546  2187.28   47.981  2445.69   52.921  794.838   8.7220  840.462   9.0977 -45.62366 12.60324 
1 1 1   12   12    1 o  745.951   5.9244  1926.05   30.587  1844.35   41.659  2021.59   45.051  729.882   8.2467  764.135   8.5185 -34.25354 11.85633 
1 1 1   12   12    2 o  207.062   5.8826  148.408   8.4304  135.415   14.095  155.647   10.520  197.466   10.349  212.038   7.1682 -14.57196 12.58908 
1 1 1   12   12    3 o  534.353   6.9928  988.554   25.862  988.554   25.862   0.0000   0.0000  534.353   6.9928  ?   ?  0.000000 6.992770 
1 1 1   12   12    4 o  452.656   5.4555  709.291   17.092  678.270   20.260  785.854   31.829  442.613   6.6138  476.297   9.6554 -33.68353 11.70339 
1 1 1   12   12    5 o  440.035   9.7285  670.732   29.629   0.0000   0.0000  670.732   29.629  ?   ?   440.035   9.7285 0.000000 9.728548 
1 1 1   12   12    6 o  684.568   6.5490  1622.31   31.029  1631.89   38.087  1603.42   53.507  686.524   8.0158  680.325   11.364 6.199341 13.90637 
1 1 1   12   12    7 o  243.318   5.9691  204.928   10.052  190.850   12.082  236.585   18.118  234.796   7.4350  261.380   10.015 -26.58353 12.47345 
1 1 1   12   12    8 o  677.632   11.458  1590.24   53.739   0.0000   0.0000  1590.24   53.739  ?   ?   677.632   11.458 0.000000 11.45825 
1 1 1   12   12    9 o  238.190   5.5547  196.366   9.1571  215.825   13.199  178.311   12.714  249.694   7.6378  226.954   8.0943 22.73987 11.12899 
1 1 1   12   12   10 o  717.612   5.9360  1782.47   29.482  1836.76   42.853  1733.67   40.625  728.377   8.5005  707.648   8.2947 20.72900 11.87692 
1 1 1   12   12   11 o  927.016   7.0380  2975.05   45.156  3064.76   65.712  2894.78   62.157  940.693   10.093  914.253   9.8231 26.44000 14.08406 
1 1 1   12   12   12 o  201.718   8.0524  140.906   11.242  140.493   14.167  141.610   18.473  201.122   10.211  201.666   13.310 -0.5439911 16.77606 
1 1 1   12   12   13 o  345.513   7.8021  413.470   18.658  413.470   18.658   0.0000   0.0000  345.513   7.8021  ?   ?  0.000000 7.802120 
1 1 1   12   12   14 o  573.137   6.4437  1137.74   25.561  1139.02   45.863  1137.16   30.785  572.908   11.566  572.878   7.7643 0.2984619E-01 13.93075 
1 1 1   12   12   15 o  155.623   9.9598   84.417   10.671   79.415   21.612   86.030   12.272  148.903   21.601  156.939   11.375 -8.035812 24.41289 
1 1 1   12   12   16 o  215.807   6.6222  161.484   9.8910  152.629   14.317  169.570   13.681  209.555   9.8714  220.965   8.9456 -11.40952 13.32169 
1 1 1   12   12   17 o  383.932   6.2199  511.293   16.528  525.317   20.373  484.293   28.269  388.944   7.5680  372.744   10.958 16.19998 13.31706 
1 1 1   12   12   18 o  227.951   6.4401  180.412   10.160  180.186   14.722  180.617   14.040  227.393   9.3546  227.738   8.9074 -0.3456879 12.91706 
1 1 1   12   12   19 o  244.472   6.2337  207.663   10.547  207.406   15.070  207.909   14.767  243.804   8.9310  244.142   8.7394 -0.3384705 12.49559 
1 1 1   12   12   20 o  111.198   11.007   43.892   8.3597   32.899   12.181   53.680   11.494   93.600   19.439  122.262   13.826 -28.66177 23.85415 
1 1 1   12   14    0 o   71.044   12.224   17.983   5.7936   16.655   8.0034   19.445   8.3977   67.977   17.043   73.420   16.879 -5.443230 23.98679 
1 1 1   12   14    1 o  721.110   5.8121  1799.99   29.008  1730.45   39.657  1880.01   42.541  706.951   8.1051  736.856   8.3415 -29.90521 11.63070 
1 1 1   12   14    2 o  458.957   6.6563  729.234   21.144  729.234   21.144   0.0000   0.0000  458.957   6.6563  ?   ?  0.000000 6.656296 
1 1 1   12   14    3 o  438.538   5.4435  665.727   16.522  636.104   19.578  739.024   30.796  428.639   6.5993  461.897   9.6332 -33.25781 11.67692 
1 1 1   12   14    4 o  649.406   6.3430  1460.06   28.509  1415.06   33.944  1567.81   52.525  639.255   7.6722  672.622   11.283 -33.36700 13.64426 
1 1 1   12   14    5 o  652.253   5.4855  1472.66   24.763  1448.06   34.647  1498.35   35.407  646.692   7.7409  657.824   7.7768 -11.13135 10.97269 
1 1 1   12   14    7 o  665.205   5.5861  1531.60   25.718  1552.27   36.896  1512.06   35.868  669.611   7.9612  660.886   7.8415 8.725281 11.17451 
1 1 1   12   14    8 o  1110.05   16.102  4270.24  123.708   0.0000   0.0000  4270.24  123.708  ?   ?   1110.05   16.102 0.000000 16.10193 
1 1 1   12   14    9 f  554.196   6.1111  1063.07   23.440  1060.40   28.408  1068.78   41.492  553.472   7.4160  555.560   10.791 -2.088501 13.09338 
1 1 1   12   14   10 o  539.383   5.9213  1007.03   22.105  1059.51   38.489  981.193   27.003  553.141   10.054  532.387   7.3283 20.75439 12.44102 
1 1 1   12   14   11 o  735.374   6.9738  1872.16   35.494  1891.52   44.218  1837.07   59.518  739.086   8.6442  728.171   11.810 10.91492 14.63520 
1 1 1   12   14   12 o  271.014   5.9181  254.271   11.101  265.979   16.007  243.422   15.408  277.131   8.3452  265.118   8.3973 12.01309 11.83876 
1 1 1   12   14   13 f  595.036   5.6294  1225.85   23.183  1285.69   34.175  1174.83   31.555  609.234   8.1048  582.394   7.8283 26.83997 11.26814 
1 1 1   12   14   14 o  494.945   6.0485  848.436   20.720  817.561   35.315  864.643   25.586  485.451   10.511  499.547   7.4003 -14.09616 12.85477 
1 1 1   12   14   15 o   50.538   19.886   5.1674   10.205  -4.7449   12.534   24.654   17.574   44.872   19.984   84.072   26.797 -39.20059 33.42857 
1 1 1   12   14   16 o  222.475   6.3703  171.608   9.8089  182.489   14.391  162.166   13.405  229.197   9.0719  216.067   8.9642 13.12929 12.75365 
1 1 1   12   14   17 o   49.694   18.035   7.2508   8.0059   10.928   11.869   4.1809   10.845   60.465   21.957   50.151   20.242 10.31490 29.86420 
1 1 1   12   14   18 o   93.659   16.360   31.869   10.219   36.684   12.352   21.424   18.192  100.080   18.514   79.090   27.329 20.99034 33.00988 
1 1 1   12   14   19 o   55.462   18.258   10.646   8.1199   7.8706   12.013   12.981   11.018   56.026   21.710   61.941   21.276 -5.915649 30.39725 
1 1 1   12   14   20 o   73.889   18.134   20.502   9.2049   17.805   16.675   21.685   11.039   72.310   26.062   75.667   20.548 -3.357185 33.18814 
1 1 1   12   16    0 o  344.280   6.5832  410.346   15.687  410.346   15.687   0.0000   0.0000  344.280   6.5832  ?   ?  0.000000 6.583242 
1 1 1   12   16    1 o  743.022   11.875  1913.17   61.066   0.0000   0.0000  1913.17   61.066  ?   ?   743.022   11.875 0.000000 11.87468 
1 1 1   12   16    2 o  104.035   8.9548   37.763   6.3849   38.214   8.7437   37.248   9.3456  104.273   12.356  102.778   13.462 1.495354 18.27256 
1 1 1   12   16    3 o  383.007   5.4161  507.808   14.357  495.343   17.233  536.097   25.960  378.248   6.5826  393.399   9.5345 -15.15067 11.58607 
1 1 1   12   16    4 o  586.336   6.0275  1190.14   24.460  1167.07   29.406  1241.95   44.068  580.576   7.3182  598.731   10.634 -18.15552 12.90911 
1 1 1   12   16    5 o  598.723   6.0967  1240.89   25.264  1194.15   43.484  1264.70   31.040  587.150   10.701  604.396   7.4203 -17.24640 13.02161 
1 1 1   12   16    6 o  1321.34   10.664  6046.75   97.528  6078.05  169.378  6031.23  119.287  1323.71   18.488  1319.39   13.063 4.324097 22.63724 
1 1 1   12   16    7 o  236.515   5.1393  193.612   8.4127  209.133   12.260  179.801   11.565  245.794   7.2069  227.904   7.3318 17.88925 10.28084 
1 1 1   12   16    8 f  1362.75   9.5256  6429.72   89.843  6504.55  128.679  6358.55  125.496  1370.31   13.568  1354.86   13.383 15.44873 19.05768 
1 1 1   12   16    9 o  101.369   12.189   36.102   8.3804   31.813   9.9243   46.761   15.645   94.558   15.716  114.382   20.516 -19.82445 25.84370 
1 1 1   12   16   10 o  539.022   7.4395  1005.84   27.754  1005.84   27.754   0.0000   0.0000  539.022   7.4395  ?   ?  0.000000 7.439516 
1 1 1   12   16   11 o  425.610   5.0854  627.007   14.980  651.653   21.771  604.848   20.644  433.842   7.2505  417.975   7.1361 15.86743 10.17319 
1 1 1   12   16   12 o  838.374   6.6029  2433.56   38.313  2523.59   56.131  2355.03   52.424  853.509   9.5021  824.542   9.1863 28.96771 13.21659 
1 1 1   12   16   13 o  598.955   6.3362  1242.27   26.266  1299.51   46.863  1216.05   31.716  612.196   11.060  592.506   7.7342 19.68921 13.49618 
1 1 1   12   16   14 o  133.458   11.187   62.258   10.238   62.732   21.119   62.112   11.706  131.727   24.051  133.087   12.869 -1.360809 27.27717 
1 1 1   12   16   15 o  406.790   5.2300  573.212   14.725  569.058   21.055  577.188   20.600  405.101   7.5097  408.008   7.2949 -2.906891 10.46952 
1 1 1   12   16   16 o  257.238   5.8362  229.376   10.391  215.129   14.882  242.927   14.514  248.873   8.6400  264.540   7.9272 -15.66757 11.72557 
1 1 1   12   16   17 o  218.571   7.1928  165.883   10.881  168.333   14.152  162.342   17.016  219.930   9.2976  215.370   11.457 4.560287 14.75486 
1 1 1   12   16   18 o  105.970   11.421   39.735   8.2441   37.237   12.057   41.928   11.297  100.963   17.911  107.915   15.577 -6.952545 23.73682 
1 1 1   12   16   19 o  183.476   9.2438  117.892   11.701  128.593   14.143   94.683   20.828  191.258   10.728  161.215   19.034 30.04297 21.84900 
1 1 1   12   16   20 o   46.862   17.766   5.9764   7.9264   9.4232   11.977   3.2901   10.573   57.457   21.825   47.806   19.725 9.650764 29.41779 
1 1 1   12   18    0 o  591.967   10.659  1214.15   43.669   0.0000   0.0000  1214.15   43.669  ?   ?   591.967   10.659 0.000000 10.65866 
1 1 1   12   18    1 o  369.586   6.6915  472.919   17.117  472.919   17.117   0.0000   0.0000  369.586   6.6915  ?   ?  0.000000 6.691515 
1 1 1   12   18    2 o  957.128   7.1141  3171.93   47.127  3038.36   63.974  3330.42   69.686  936.523   9.8698  980.459   10.269 -43.93610 14.24327 
1 1 1   12   18    3 o  651.547   6.3778  1469.66   28.761  1445.26   34.728  1522.93   51.313  646.052   7.7667  662.968   11.183 -16.91614 13.61550 
1 1 1   12   18    4 o  639.575   6.3351  1416.06   28.043  1401.91   33.969  1446.34   49.690  636.318   7.7133  646.145   11.111 -9.827332 13.52597 
1 1 1   12   18    5 o  506.493   5.6141  887.963   19.680  948.781   34.946  859.716   23.816  523.432   9.6463  498.342   6.9049 25.09003 11.86297 
1 1 1   12   18    6 o  537.488   5.0434  999.895   18.762  1022.16   27.037  979.215   26.056  543.394   7.1889  531.859   7.0785 11.53503 10.08887 
1 1 1   12   18    7 o  526.758   5.0493  960.352   18.409  980.864   26.785  941.990   25.342  532.313   7.2702  521.663   7.0191 10.64978 10.10562 
1 1 1   12   18    8 o  1612.24   11.072  9001.08  123.545  9050.21  175.850  8953.19  173.611  1616.10   15.722  1607.43   15.605 8.670532 22.15150 
1 1 1   12   18    9 o  636.453   7.7704  1402.29   34.229   0.0000   0.0000  1402.29   34.229  ?   ?   636.453   7.7704 0.000000 7.770448 
1 1 1   12   18   10 o  186.715   9.2665  120.722   11.975  120.722   11.975   0.0000   0.0000  186.715   9.2665  ?   ?  0.000000 9.266503 
1 1 1   12   18   11 o  310.989   7.3621  334.861   15.846  348.683   20.848  315.951   24.385  317.288   9.4937  301.961   11.668 15.32620 15.04217 
1 1 1   12   18   12 o  270.839   7.7554  254.037   14.538   0.0000   0.0000  254.037   14.538  ?   ?   270.839   7.7554 0.000000 7.755427 
1 1 1   12   18   13 o  492.418   5.2840  839.515   18.008  855.885   26.263  824.987   24.741  497.062   7.6340  488.028   7.3248 9.034851 10.57972 
1 1 1   12   18   14 o  134.643   11.715   63.439   10.808   72.694   13.062   43.341   19.249  143.994   13.255  108.797   25.930 35.19688 29.12177 
1 1 1   12   18   15 o  235.005   6.1295  191.394   9.9697  196.313   14.578  187.072   13.665  237.819   8.8565  232.181   8.5038 5.637680 12.27808 
1 1 1   12   18   16 o  382.713   5.8827  507.782   15.582  531.212   20.139  472.829   24.597  391.232   7.4374  368.748   9.6378 22.48465 12.17385 
1 1 1   12   18   17 o   76.758   14.837   21.374   7.5972   14.540   11.605   26.499   10.050   65.363   21.841   85.101   17.643 -19.73813 28.07642 
1 1 1   12   18   18 o  123.260   10.041   53.393   8.4919   74.965   12.933   37.046   11.259  145.537   12.976  100.977   16.693 44.56007 21.14313 
1 1 1   12   18   19 o  126.383   10.137   56.277   8.7921   37.239   12.991   72.368   11.943  100.038   19.463  142.894   12.193 -42.85632 22.96666 
1 1 1   12   18   20 o   28.553   13.674 -10.3423   7.7072  -5.7076   11.837 -13.7528   10.154   41.670   18.913   32.543   15.614 9.127911 24.52498 
1 1 1   12   20    0 f  634.167   5.5110  1392.16   24.189  1303.18   32.538  1502.08   36.164  613.476   7.6633  658.617   7.9336 -45.14081 11.03035 
1 1 1   12   20    1 o  525.275   5.0835  955.067   18.481  914.062   25.380  1001.35   26.964  513.810   7.1369  537.781   7.2445 -23.96991 10.16943 
1 1 1   12   20    2 o  630.940   5.4618  1377.99   23.851  1353.64   33.431  1403.24   34.037  625.250   7.7253  636.602   7.7251 -11.35205 10.92508 
1 1 1   12   20    3 o  1091.62   7.8907  4125.88   59.616  4060.44   83.031  4195.53   85.651  1082.64   11.081  1100.49   11.245 -17.84619 15.78740 
1 1 1   12   20    4 o  351.255   6.5925  427.106   16.027  385.561   21.381  480.390   24.214  333.682   9.2579  372.460   9.3930 -38.77762 13.18853 
1 1 1   12   20    5 o  255.168   5.0132  225.358   8.8536  223.707   12.571  226.983   12.472  254.210   7.1447  256.066   7.0372 -1.855804 10.02841 
1 1 1   12   20    6 o  693.365   5.7479  1664.01   27.583  1689.72   39.700  1640.01   38.352  698.632   8.2104  688.282   8.0510 10.34998 11.49907 
1 1 1   12   20    7 o  1014.81   7.4607  3564.90   52.401  3637.41   75.735  3498.30   72.579  1024.92   10.676  1005.15   10.433 19.77484 14.92757 
1 1 1   12   20    8 o  1281.60   9.0397  5686.53   80.183  5748.97  114.856  5627.17  111.990  1288.32   12.881  1274.61   12.695 13.70325 18.08532 
1 1 1   12   20    9 o  567.102   10.028  1113.66   39.359   0.0000   0.0000  1113.66   39.359  ?   ?   567.102   10.028 0.000000 10.02775 
1 1 1   12   20   10 o  317.505   5.1229  348.932   11.258  382.718   16.766  321.195   15.191  332.484   7.2859  304.592   7.2060 27.89249 10.24751 
1 1 1   12   20   11 o  440.351   5.7586  671.265   17.551  693.267   22.438  636.585   28.170  447.464   7.2451  428.698   9.4940 18.76614 11.94269 
1 1 1   12   20   12 o  298.576   7.5716  308.742   15.647  299.220   20.794  321.171   23.756  293.841   10.225  304.382   11.276 -10.54077 15.22176 
1 1 1   12   20   13 o  431.211   5.1617  643.807   15.405  638.807   22.412  648.285   21.209  429.404   7.5412  432.607   7.0837 -3.202606 10.34637 
1 1 1   12   20   14 o  389.688   5.1683  525.929   13.939  547.838   20.409  506.771   19.084  397.555   7.4171  382.381   7.2111 15.17355 10.34475 
1 1 1   12   20   15 o  182.983   6.9749  116.103   8.8334  119.142   13.079  113.553   11.978  184.865   10.262  180.546   9.6206 4.319351 14.06654 
1 1 1   12   20   16 o  192.156   6.7010  128.095   8.9119  137.166   13.270  120.643   12.028  198.578   9.6554  186.030   9.3719 12.54845 13.45582 
1 1 1   12   20   17 o  110.538   10.547   43.002   7.9712   45.172   12.472   41.503   10.364  112.004   16.590  107.832   14.235 4.171234 21.86049 
1 1 1   12   20   18 o   51.712   18.764   8.0516   8.6649   9.2244   15.778   7.5452   10.368   62.777   24.719   53.398   20.301 9.379318 31.98701 
1 1 1   12   20   19 f  158.114   8.0791   87.418   8.8117   81.864   12.739   92.514   12.202  151.980   12.214  161.983   10.948 -10.00354 16.40233 
1 1 1   12   20   20 o   62.280   18.142   14.454   8.2970   29.908   12.371   1.8212   11.185   88.423   20.598   47.151   19.927 41.27200 28.65942 
1 1 1   12   22    0 f  700.278   5.8152  1697.52   28.185  1563.42   52.749  1751.10   33.344  671.771   11.345  711.207   6.7739 -39.43567 13.21378 
1 1 1   12   22    1 o  712.660   5.8702  1758.08   28.954  1681.79   39.599  1845.73   42.444  696.929   8.2095  730.098   8.3996 -33.16870 11.74518 
1 1 1   12   22    2 o  741.460   6.0017  1903.04   30.799  1843.68   42.521  1968.56   44.673  729.702   8.4193  754.004   8.5603 -24.30249 12.00686 
1 1 1   12   22    3 o  957.944   8.2168  3177.18   54.478  3127.32   92.732  3203.46   67.320  949.938   14.105  961.775   10.113 -11.83624 17.35560 
1 1 1   12   22    4 o  329.065   5.6567  374.803   12.883  383.857   15.798  356.829   22.259  332.999   6.8547  321.004   10.019 11.99472 12.13933 
1 1 1   12   22    5 o  932.301   9.8756  3009.63   63.723   0.0000   0.0000  3009.63   63.723  ?   ?   932.301   9.8756 0.000000 9.875572 
1 1 1   12   22    6 o  654.769   5.5920  1483.87   25.341  1525.09   36.867  1446.95   34.891  663.741   8.0253  646.520   7.7975 17.22107 11.18957 
1 1 1   12   22    7 o  802.194   6.2926  2227.39   34.937  2238.59   49.824  2216.56   49.004  804.121   8.9523  800.158   8.8486 3.962402 12.58738 
1 1 1   12   22    8 o  162.435   7.2911   91.336   8.1969  106.900   11.426   74.829   11.766  175.459   9.4435  146.524   11.700 28.93452 15.03562 
1 1 1   12   22    9 o  1074.81   7.8336  3999.43   58.273  4064.13   83.903  3939.14   80.995  1083.22   11.191  1066.45   10.973 16.76917 15.67361 
1 1 1   12   22   10 o  823.803   6.4732  2349.40   36.908  2499.93   55.267  2228.22   49.585  849.609   9.3987  802.141   8.9315 47.46783 12.96568 
1 1 1   12   22   11 o  204.881   6.7542  145.337   9.5775  174.390   15.794  128.440   12.045  224.354   10.172  192.564   9.0374 31.78961 13.60642 
1 1 1   12   22   12 o  560.087   5.4163  1086.05   20.996  1165.93   31.725  1023.80   28.008  580.173   7.9006  543.691   7.4430 36.48206 10.85438 
1 1 1   12   22   13 o  573.697   6.3648  1140.00   25.272  1183.23   31.468  1061.46   42.415  584.343   7.7809  553.074   11.080 31.26929 13.53951 
1 1 1   12   22   14 o  367.787   5.1135  468.503   13.016  509.339   19.253  434.122   17.666  383.315   7.2570  353.885   7.2126 29.42935 10.23159 
1 1 1   12   22   15 o  272.883   6.1487  258.125   11.613  262.624   15.121  251.658   18.131  275.096   7.9421  269.102   9.7347 5.993713 12.56348 
1 1 1   12   22   16 o   71.342   15.333   18.524   7.3454   4.8488   11.011   29.488   9.8596   51.292   20.505   90.261   16.386 -38.96958 26.24791 
1 1 1   12   22   17 o  162.014   7.6083   91.239   8.5314   69.935   12.881  107.889   11.387  140.583   13.400  175.729   9.3968 -35.14641 16.36665 
1 1 1   12   22   18 o  139.681   8.6048   68.265   8.2782   72.034   12.444   65.272   11.088  142.595   12.743  135.889   11.909 6.705963 17.44146 
1 1 1   12   22   19 o   69.462   16.750   17.950   7.9590  -0.4277   12.200   31.567   10.502   47.100   20.375   92.508   17.029 -45.40793 26.55485 
1 1 1   12   22   20 o  107.650   11.494   41.425   8.4315   34.787   12.358   47.207   11.533   95.831   19.299  113.791   15.010 -17.95997 24.44920 
1 1 1   12   24    0 o  712.360   6.8130  1756.68   33.590  1739.51   57.694  1765.48   41.315  708.633   11.763  714.081   8.3595 -5.448120 14.43120 
1 1 1   12   24    1 o  1238.20   10.158  5309.44   87.051  4990.24  141.661  5503.10  110.342  1199.59   17.062  1260.32   12.650 -60.72729 21.24014 
1 1 1   12   24    2 f  355.238   5.6219  436.799   13.822   0.0000   0.0000  436.799   13.822  ?   ?   355.238   5.6219 0.000000 5.621947 
1 1 1   12   24    3 f  956.012   10.090  3164.90   66.765   0.0000   0.0000  3164.90   66.765  ?   ?   956.012   10.090 0.000000 10.09044 
1 1 1   12   24    5 o  1078.64   7.8462  4027.57   58.575  3987.67   82.089  4068.96   83.606  1073.10   11.053  1083.98   11.144 -10.87634 15.69549 
1 1 1   12   24    7 o  1400.77   11.260  6794.87  109.162  6830.65  134.843  6726.83  185.948  1404.20   13.875  1392.80   19.290 11.39844 23.76135 
1 1 1   12   24    8 o  727.435   5.9687  1831.61   30.051  1804.15   42.293  1859.62   42.706  721.876   8.4650  732.892   8.4192 -11.01587 11.93899 
1 1 1   12   24    9 o  1087.66   7.9152  4095.89   59.584  4200.85   86.603  4001.55   82.106  1101.22   11.363  1074.81   11.037 26.40833 15.84098 
1 1 1   12   24   10 o  417.573   5.5351  603.590   15.997  622.927   27.296  593.474   19.742  424.092   9.2997  414.025   6.8896 10.06781 11.57372 
1 1 1   12   24   11 o  305.359   5.1895  322.785   10.968  348.753   16.492  302.196   14.685  317.346   7.5088  295.414   7.1825 21.93201 10.39093 
1 1 1   12   24   12 o  414.586   5.7204  595.140   16.414  652.493   21.890  521.463   24.810  434.027   7.2869  387.901   9.2412 46.12613 11.76852 
1 1 1   12   24   13 o  558.356   5.3339  1079.66   20.613  1107.65   29.987  1054.58   28.380  565.331   7.6640  551.645   7.4333 13.68561 10.67662 
1 1 1   12   24   14 o  158.687   7.7251   87.330   8.4844   92.357   11.455   81.220   12.628  162.743   10.222  152.329   12.077 10.41344 15.82190 
1 1 1   12   24   15 o  146.170   9.8065   74.610   9.8634   84.680   11.779   50.976   18.045  155.592   11.009  117.993   22.922 37.59875 25.42872 
1 1 1   12   24   16 o  132.997   8.2239   61.704   7.5329   69.898   11.331   55.214   10.084  141.040   11.714  125.230   11.773 15.80984 16.60745 
1 1 1   12   24   17 o  246.752   5.7745  211.274   9.8617  216.789   14.769  206.838   13.248  249.548   8.5512  243.867   7.8488 5.681137 11.60718 
1 1 1   12   24   18 o  227.052   6.0901  179.093   9.5704  187.303   14.412  172.617   12.800  231.672   8.9884  222.539   8.3105 9.132858 12.24152 
1 1 1   12   24   19 o   28.107   13.402  -9.1874   7.2346 -12.7898   11.084  -6.5138   9.5490   35.310   16.766   36.134   16.620 -0.8236046 23.60714 
1 1 1   12   26    0 f  1328.31   10.793  6110.34   99.228  6112.19  172.060  6109.42  121.462  1327.53   18.727  1327.96   13.215 -0.4360352 22.92004 
1 1 1   12   26    1 o  801.584   7.2928  2224.28   40.459   0.0000   0.0000  2224.28   40.459  ?   ?   801.584   7.2928 0.000000 7.292774 
1 1 1   12   26    2 o  1521.54   10.524  8016.85  110.826  7565.85  208.705  8193.96  130.790  1476.76   20.420  1538.07   12.286 -61.31213 23.83093 
1 1 1   12   26    3 o  490.164   5.8698  831.604   19.913  779.024   33.713  859.779   24.678  474.319   10.270  498.375   7.1546 -24.05569 12.51609 
1 1 1   12   26    4 o  383.991   4.9707  510.326   13.210  499.983   18.711  520.607   18.654  380.054   7.1132  387.815   6.9499 -7.761627 9.944793 
1 1 1   12   26    5 o  542.747   10.651  1020.00   40.008   0.0000   0.0000  1020.00   40.008  ?   ?   542.747   10.651 0.000000 10.65052 
1 1 1   12   26    6 o  716.081   6.7848  1774.92   33.626  1783.67   41.875  1759.02   56.422  717.796   8.4290  712.706   11.438 5.090088 14.20857 
1 1 1   12   26    7 o  917.242   6.9610  2912.32   44.191  2950.64   63.467  2876.27   61.568  923.118   9.9338  911.419   9.7602 11.69897 13.92624 
1 1 1   12   26    8 o  190.282   5.9856  125.329   7.8829  124.855   11.886  125.701   10.533  189.890   9.0437  190.545   7.9866 -0.6547089 12.06543 
1 1 1   12   26    9 o  419.770   4.9634  609.906   14.420  644.854   21.506  581.359   19.437  431.577   7.1997  409.788   6.8531 21.78934 9.939902 
1 1 1   12   26   10 o  237.275   5.6818  194.895   9.3307  189.031   13.668  200.015   12.769  233.628   8.4528  240.336   7.6766 -6.708267 11.41839 
1 1 1   12   26   11 o  416.469   5.0360  600.436   14.516  612.883   21.305  589.652   19.831  420.681   7.3174  412.646   6.9436 8.034424 10.08757 
1 1 1   12   26   12 o  126.859   8.7253   56.039   7.6143   54.426   11.777   57.198   9.9809  124.402   13.917  127.895   11.395 -3.492104 17.98679 
1 1 1   12   26   13 o  403.621   6.8398  564.524   19.107   0.0000   0.0000  564.524   19.107  ?   ?   403.621   6.8398 0.000000 6.839770 
1 1 1   12   26   14 o  102.685   9.8194   36.959   6.8935   44.011   10.804   32.116   8.9528  111.426   14.342   94.966   14.045 16.45959 20.07379 
1 1 1   12   26   15 o  177.638   6.4529  109.437   7.9336  112.513   12.121  107.132   10.494  179.601   9.7884  175.607   8.6338 3.993622 13.05199 
1 1 1   12   26   16 o  203.526   8.8871  144.113   12.519  142.829   15.989  146.146   20.123  201.941   11.487  203.600   14.373 -1.659439 18.39960 
1 1 1   12   26   17 o  373.814   5.1093  484.665   13.219  511.749   19.517  461.712   17.967  383.652   7.3504  364.466   7.1228 19.18631 10.23532 
1 1 1   12   26   18 o  165.346   7.2356   95.158   8.2802  105.793   12.244   86.196   11.240  173.548   10.239  156.546   10.434 17.00259 14.61867 
1 1 1   12   26   19 o  108.856   10.636   42.042   7.9105   58.471   11.699   28.204   10.737  127.706   13.438   86.713   18.457 40.99287 22.83060 
1 1 1   12   28    0 o  659.322   5.7277  1504.60   26.137  1420.98   51.348  1533.85   30.365  640.555   11.582  665.679   6.5907 -25.12311 13.32596 
1 1 1   12   28    1 f  237.589   12.468  196.049   20.430  196.049   20.430   0.0000   0.0000  237.589   12.468  ?   ?  0.000000 12.46780 
1 1 1   12   28    2 o  879.865   6.7583  2679.70   41.156  2562.93   79.525  2722.42   48.098  860.171   13.358  886.812   7.8364 -26.64044 15.48698 
1 1 1   12   28    3 f  637.487   11.529  1407.32   50.867  1407.32   50.867   0.0000   0.0000  637.487   11.529  ?   ?  0.000000 11.52901 
1 1 1   12   28    4 o  1450.83   10.094  7288.01  101.359  7302.44  204.097  7283.29  116.777  1451.10   20.322  1450.23   11.634 0.8646240 23.41656 
1 1 1   12   28    5 o  446.810   5.9768  690.996   18.483  675.652   22.229  725.366   33.269  441.802   7.2696  457.697   10.502 -15.89575 12.77279 
1 1 1   12   28    6 o  741.640   6.0851  1903.82   31.235  1897.14   44.312  1910.42   44.035  740.257   8.6490  742.847   8.5648 -2.589722 12.17212 
1 1 1   12   28    8 o  995.976   7.3992  3434.29   51.005  3491.05   73.615  3381.89   70.735  1003.94   10.594  988.140   10.343 15.79950 14.80592 
1 1 1   12   28    9 o  606.006   6.2121  1271.35   26.055  1173.17   42.004  1332.75   33.218  581.937   10.429  620.402   7.7360 -38.46521 12.98492 
1 1 1   12   28   10 o  829.219   6.5005  2380.72   37.307  2423.29   53.853  2341.44   51.732  836.376   9.3032  822.148   9.0913 14.22717 13.00775 
1 1 1   12   28   11 o  129.674   10.444   58.668   9.2940   76.634   21.079   54.333   10.355  146.771   21.379  124.564   12.166 22.20653 24.59836 
1 1 1   12   28   12 o  158.725   8.3046   87.562   9.0913   94.683   20.606   85.841   10.131  163.740   18.507  157.059   9.3621 6.680832 20.74055 
1 1 1   12   28   13 o  163.725   10.390   93.463   11.713   0.0000   0.0000   93.463   11.713  ?   ?   163.725   10.390 0.000000 10.39048 
1 1 1   12   28   14 o   93.801   10.286   30.951   6.5682   33.084   10.481   29.571   8.4288   95.921   16.375   91.060   13.807 4.861359 21.41875 
1 1 1   12   28   15 o  126.540   15.538   56.976   13.323   56.976   13.323   0.0000   0.0000  126.540   15.538  ?   ?  0.000000 15.53837 
1 1 1   12   28   16 o   78.566   12.344   22.102   6.4911   43.242   10.601   9.4235   8.2100  110.099   14.246   53.642   18.368 56.45703 23.24552 
1 1 1   12   28   17 o  201.562   7.8423  141.398   10.940  143.035   12.825  137.024   20.965  202.518   9.1500  196.214   15.565 6.303833 18.05562 
1 1 1   12   28   18 o   47.751   16.780   7.3002   6.8717  -6.1272   10.084   18.940   9.3889   37.780   17.266   71.230   18.778 -33.45059 25.50929 
1 1 1   12   28   19 o  105.512   11.360   39.708   8.1647   53.951   13.165   30.806   10.408  121.575   16.037   91.011   17.153 30.56444 23.48196 
1 1 1   12   30    0 o  1317.33   13.139  6010.67  119.792   0.0000   0.0000  6010.67  119.792  ?   ?   1317.33   13.139 0.000000 13.13878 
1 1 1   12   30    1 o  325.662   6.0774  367.082   13.698   0.0000   0.0000  367.082   13.698  ?   ?   325.662   6.0774 0.000000 6.077434 
1 1 1   12   30    2 o  728.807   12.190  1839.51   61.488  1839.51   61.488   0.0000   0.0000  728.807   12.190  ?   ?  0.000000 12.18989 
1 1 1   12   30    3 o  672.932   6.7256  1567.44   31.324  1514.15   53.679  1594.96   38.573  661.237   11.729  678.775   8.2107 -17.53821 14.31756 
1 1 1   12   30    4 o  312.267   5.1972  337.490   11.232  326.293   24.679  340.415   12.615  306.955   11.616  313.612   5.8118 -6.656494 12.98917 
1 1 1   12   30    5 o  825.830   13.241  2362.44   75.683  2362.44   75.683   0.0000   0.0000  825.830   13.241  ?   ?  0.000000 13.24135 
1 1 1   12   30    6 o  794.221   6.3350  2183.45   34.823  2161.95   71.212  2190.20   39.921  789.970   13.025  795.416   7.2516 -5.446106 14.90724 
1 1 1   12   30    7 o  541.140   7.3958  1013.79   27.699   0.0000   0.0000  1013.79   27.699  ?   ?   541.140   7.3958 0.000000 7.395764 
1 1 1   12   30    8 o  552.323   6.0067  1056.03   22.962  1110.24   40.768  1030.84   27.789  566.138   10.404  545.651   7.3582 20.48645 12.74344 
1 1 1   12   30    9 o  946.514   7.1454  3102.02   46.809  3131.18   67.159  3074.47   65.277  950.676   10.207  942.048   10.012 8.628052 14.29740 
1 1 1   12   30   10 o  289.987   6.2368  291.165   12.517  328.878   26.416  280.245   14.215  307.951   12.394  284.471   7.2197 23.47983 14.34346 
1 1 1   12   30   11 o  427.369   5.8821  632.471   17.398  681.463   34.561  615.841   20.136  443.221   11.267  421.660   6.8997 21.56088 13.21137 
1 1 1   12   30   12 o   82.939   15.608   24.736   8.6308   9.7073   18.367   28.995   9.7776   67.999   26.704   89.845   16.325 -21.84628 31.29872 
1 1 1   12   30   13 o  391.024   5.7578  529.765   15.583  534.146   30.120  528.164   18.209  391.988   11.102  390.344   6.7400 1.643921 12.98772 
1 1 1   12   30   14 o  209.522   6.5666  152.233   9.5224  192.781   22.451  143.339   10.515  234.538   13.893  203.247   7.4750 31.29042 15.77620 
1 1 1   12   30   15 o  114.902   8.1440   46.103   6.4346   42.413   10.767   48.152   8.0252  109.054   14.635  117.181   9.9906 -8.127121 17.71990 
1 1 1   12   30   16 o   54.614   15.253   10.814   5.9868   17.762   9.8884   6.7942   7.5222   69.621   19.659   48.052   17.475 21.56854 26.30319 
1 1 1   12   30   17 o  192.901   8.3579  129.667   11.159   0.0000   0.0000  129.667   11.159  ?   ?   192.901   8.3579 0.000000 8.357904 
1 1 1   12   30   18 o  107.143   10.071   40.573   7.3803   45.927   10.370   35.078   10.506  113.165   13.507   97.952   16.053 15.21329 20.97957 
1 1 1   12   30   19 o   53.222   19.360   8.9529   9.2328   6.9040   10.455   16.210   19.677   51.899   20.214   72.215   27.840 -20.31666 34.40433 
1 1 1   12   32    0 o  626.766   6.4647  1359.73   28.043  1291.22   47.252  1396.97   34.843  610.644   11.180  635.259   7.9248 -24.61578 13.70416 
1 1 1   12   32    1 o  744.904   7.0728  1920.70   36.464  1879.02   62.703  1941.99   44.823  736.586   12.299  748.974   8.6469 -12.38770 15.03475 
1 1 1   12   32    2 o  875.102   7.8644  2650.97   47.632  2538.54   79.599  2713.69   59.452  856.078   13.434  885.318   9.7026 -29.24023 16.57169 
1 1 1   12   32    3 o  883.534   7.9270  2702.35   48.474  2616.10   82.252  2748.24   60.001  869.028   13.675  890.928   9.7305 -21.90076 16.78382 
1 1 1   12   32    4 o  822.870   7.4595  2343.96   42.483  2354.15   75.343  2339.21   51.441  824.373   13.205  821.973   9.0421 2.399170 16.00420 
1 1 1   12   32    5 o  407.090   5.0930  573.588   14.350  550.732   30.600  580.031   16.247  398.771   11.087  409.360   5.7343 -10.58978 12.48247 
1 1 1   12   32    6 o  110.361   12.474   42.735   9.3606   74.683   20.511   34.330   10.520  145.176   21.025   98.244   16.024 46.93143 26.43544 
1 1 1   12   32    8 o  394.234   6.0250  538.044   16.440  535.122   31.189  539.168   19.345  392.970   11.467  394.618   7.0830 -1.647369 13.47843 
1 1 1   12   32    9 o  450.939   7.0912  704.135   22.132   0.0000   0.0000  704.135   22.132  ?   ?   450.939   7.0912 0.000000 7.091168 
1 1 1   12   32   10 o  335.253   8.1967  389.375   19.019  404.000   28.292  377.317   25.690  341.278   11.978  329.861   11.253 11.41739 16.43438 
1 1 1   12   32   11 o  456.693   5.6620  722.297   17.897  762.706   23.618  667.805   27.426  469.182   7.2731  438.880   9.0291 30.30249 11.59406 
1 1 1   12   32   12 f  187.092   5.8427  121.262   7.5656  112.218   11.464  128.240   10.070  179.598   9.2543  192.330   7.5648 -12.73232 11.95273 
1 1 1   12   32   13 o  444.025   4.8806  682.948   14.999  683.516   21.627  682.422   20.819  443.974   7.0382  443.651   6.7801 0.3230591 9.772738 
1 1 1   12   32   14 o  252.482   5.4288  220.946   9.4865  260.098   16.954  203.102   11.446  273.572   8.9543  241.961   6.8349 31.61110 11.26476 
1 1 1   12   32   15 o  194.688   5.4840  131.433   7.3895  144.979   11.941  123.027   9.4071  204.191   8.4495  188.219   7.2213 15.97145 11.11488 
1 1 1   12   32   16 o   97.026   10.815   33.298   7.1391   28.966   17.714   34.138   7.8006   88.197   26.716   98.075   11.724 -9.878174 29.17562 
1 1 1   12   32   17 o  143.526   7.0384   71.666   6.9917   55.413   10.131   86.444   9.6609  125.070   11.845  157.133   8.9200 -32.06391 14.82816 
1 1 1   12   32   18 o  121.076   8.2180   51.424   6.8458   31.622   10.172   67.819   9.2557   92.661   16.464  138.784   9.6968 -46.12242 19.10745 
1 1 1   12   34    0 o  1142.53   8.2642  4519.00   65.350  4356.62   88.987  4709.10   96.282  1121.62   11.463  1166.07   11.930 -44.45544 16.54476 
1 1 1   12   34    1 o  781.573   6.3534  2114.38   34.368  2082.93   68.355  2125.03   39.759  775.474   12.736  783.508   7.3319 -8.034241 14.69540 
1 1 1   12   34    3 o  295.442   12.345  302.341   25.243  302.341   25.243   0.0000   0.0000  295.442   12.345  ?   ?  0.000000 12.34510 
1 1 1   12   34    4 o  765.692   7.2501  2029.59   38.422  2014.63   67.372  2036.81   46.773  762.581   12.765  766.987   8.8111 -4.405029 15.51065 
1 1 1   12   34    5 o  991.391   7.4218  3402.65   50.925  3430.73  104.206  3393.84   58.370  994.823   15.135  990.042   8.5184 4.780518 17.36720 
1 1 1   12   34    6 o  779.253   7.3296  2102.35   39.531  2079.51   69.491  2113.27   48.066  774.630   12.962  781.190   8.8901 -6.559814 15.71735 
1 1 1   12   34    7 o  792.130   6.3595  2172.27   34.865  2112.68   70.298  2191.71   40.152  780.692   13.010  795.617   7.2916 -14.92480 14.91425 
1 1 1   12   34    8 o  560.677   5.3798  1088.23   20.877  1101.95   45.298  1084.53   23.524  563.851   11.607  559.697   6.0726 4.153320 13.10002 
1 1 1   12   34    9 o  244.321   5.4150  206.660   9.1567  228.537   24.043  202.949   9.9030  256.275   13.604  242.107   5.9100 14.16774 14.83212 
1 1 1   12   34   10 o  105.569   11.864   39.160   8.5182   21.141   19.047   43.665   9.5237   81.220   27.970  111.453   12.566 -30.23309 30.66278 
1 1 1   12   34   11 o  275.761   6.8698  263.495   13.112   0.0000   0.0000  263.495   13.112  ?   ?   275.761   6.8698 0.000000 6.869779 
1 1 1   12   34   12 o  229.175   5.2578  181.935   8.3397  197.993   12.688  169.719   11.066  238.941   7.6721  221.250   7.2266 17.69099 10.53973 
1 1 1   12   34   13 o  495.991   5.6227  852.568   19.302  967.317   35.178  803.139   23.088  527.570   9.6340  481.216   6.9321 46.35480 11.86881 
1 1 1   12   34   14 o  228.683   5.0006  181.239   7.9147  188.410   12.281  176.144   10.351  232.939   7.6173  225.320   6.6376 7.618210 10.10353 
1 1 1   12   34   15 o   76.784   9.9043   20.883   5.1408   20.736   9.0273   20.954   6.2539   75.088   17.666   76.473   12.228 -1.385162 21.48461 
1 1 1   12   34   16 o  146.953   6.2228   74.999   6.3291   88.526   10.180   66.477   8.0806  159.042   9.2887  137.881   8.5092 21.16121 12.59705 
1 1 1   12   34   17 o  109.600   8.1598   42.114   6.1453   30.350   9.8360   49.646   7.8705   91.032   16.206  118.757   9.6592 -27.72581 18.86600 
1 1 1   12   34   18 o   78.068   13.367   22.205   6.9628 -28.6390   17.385   31.919   7.5989   39.956   19.468   94.360   11.900 -54.40479 22.81716 
1 1 1   12   36    0 o  899.263   13.963  2801.95   86.907  2801.95   86.907   0.0000   0.0000  899.263   13.963  ?   ?  0.000000 13.96347 
1 1 1   12   36    1 o  702.682   5.9392  1709.09   28.884  1671.85   39.878  1750.19   41.894  694.909   8.2914  710.995   8.5134 -16.08563 11.88384 
1 1 1   12   36    2 o  502.434   6.2345  873.815   21.680  820.000   36.786  902.455   26.836  486.584   10.923  510.569   7.5943 -23.98474 13.30366 
1 1 1   12   36    3 o  804.585   7.5593  2241.14   42.095  2182.44   71.318  2272.53   52.148  793.659   12.983  810.114   9.3007 -16.45447 15.97097 
1 1 1   12   36    4 o  1082.68   9.2115  4059.19   69.026  4126.34  122.438  4027.90   83.572  1090.84   16.217  1078.33   11.198 12.50891 19.70763 
1 1 1   12   36    5 o  704.205   6.9928  1716.84   34.082  1606.34   57.209  1777.64   42.435  680.874   12.140  716.490   8.5573 -35.61603 14.85292 
1 1 1   12   36    6 o  526.120   5.4236  958.168   19.749  892.195   42.565  976.267   22.294  507.391   12.121  531.046   6.0658 -23.65521 13.55380 
1 1 1   12   36    7 o  876.703   6.8543  2661.24   41.591  2564.39   82.338  2694.42   48.190  859.894   13.835  882.073   7.8937 -22.17883 15.92844 
1 1 1   12   36    8 o  350.896   6.0153  426.306   14.609  460.244   28.712  414.452   16.969  364.360   11.386  345.950   7.0872 18.41068 13.41134 
1 1 1   12   36    9 o  192.826   7.3513  128.796   9.8109  128.049   20.963  129.005   11.102  191.262   15.983  192.957   8.3129 -1.694702 18.01516 
1 1 1   12   36   10 o  484.959   5.9970  814.585   20.129  851.219   38.264  800.568   23.668  495.211   11.164  480.683   7.1143 14.52811 13.23812 
1 1 1   12   36   11 o  122.915   6.9512   52.530   5.8892   73.463   18.451   50.156   6.2142  143.661   19.025  120.046   7.5173 23.61498 20.45636 
1 1 1   12   36   12 o  414.690   4.6778  595.639   13.426  598.537   31.820  595.012   14.809  414.840   11.083  414.431   5.1628 0.4095459 12.22618 
1 1 1   12   36   13 o  177.233   4.7354  108.828   5.8087  152.878   19.697  104.632   6.0790  208.733   13.710  173.769   5.0546 34.96407 14.61247 
1 1 1   12   36   14 f   57.704   8.2771   11.807   3.2110   2.7410   17.159   12.136   3.2688   59.061   24.805   58.515   8.3043 0.5458336 26.15848 
1 1 1   12   36   15 o  205.622   10.218  147.549   14.541  119.659   19.941  179.219   21.249  183.451   15.862  225.476   13.681 -42.02467 20.94665 
1 1 1   12   36   16 o   52.211   17.205   9.3512   7.2094   9.3512   7.2094   0.0000   0.0000   52.211   17.205  ?   ?  0.000000 17.20481 
1 1 1   12   36   17 o  109.118   6.5591   41.574   4.9306   35.675   7.9207   45.305   6.3000  100.044   11.658  113.679   8.0595 -13.63540 14.17256 
1 1 1   12   36   18 o  191.756   5.7880  127.939   7.6816  104.098   12.467  142.529   9.7529  171.587   10.549  202.148   6.9709 -30.56088 12.64405 
1 1 1   12   38    0 o  965.734   7.3009  3228.76   48.799  3096.99   66.187  3385.70   72.233  945.647   10.113  988.710   10.556 -43.06256 14.61820 
1 1 1   12   38    1 o  817.292   6.5579  2312.30   37.095  2242.88   50.620  2392.83   54.518  804.807   9.0876  831.253   9.4761 -26.44550 13.12940 
1 1 1   12   38    2 o  717.564   6.1559  1782.37   30.573  1662.44   58.087  1828.33   35.956  692.702   12.116  726.717   7.1487 -34.01526 14.06763 
1 1 1   12   38    3 o  384.792   5.5480  512.522   14.775  450.390   28.518  535.321   17.275  360.564   11.428  393.242   6.3472 -32.67831 13.07193 
1 1 1   12   38    4 o  514.052   6.4056  914.794   22.790  942.439   41.649  902.979   27.228  521.542   11.538  510.679   7.7036 10.86322 13.87365 
1 1 1   12   38    5 o  148.264   12.878   76.771   13.084   0.0000   0.0000   76.771   13.084  ?   ?   148.264   12.878 0.000000 12.87828 
1 1 1   12   38    6 o  316.093   5.6161  345.886   12.286  339.366   27.341  347.536   13.753  312.871   12.626  316.832   6.2720 -3.961334 14.09818 
1 1 1   12   38    7 o  297.121   6.7859  305.693   13.955  297.463   26.550  308.834   16.403  292.846   13.099  298.610   7.9368 -5.763855 15.31631 
1 1 1   12   38    8 o  677.140   5.8335  1587.65   27.339  1565.85   56.029  1594.47   31.321  671.841   12.049  678.531   6.6694 -6.690674 13.77204 
1 1 1   12   38    9 o  663.488   6.5227  1524.85   29.953  1492.19   54.620  1538.89   35.819  655.597   12.038  666.404   7.7660 -10.80695 14.32524 
1 1 1   12   38   10 f  257.817   6.3513  230.294   11.333  239.463   23.599  227.545   12.921  262.407   12.994  256.226   7.2859 6.181030 14.89734 
1 1 1   12   38   11 f  411.588   4.7166  586.721   13.436  606.341   31.946  582.505   14.809  417.641   11.052  410.069   5.2180 7.571747 12.22190 
1 1 1   12   38   12 o   70.790   9.1154   17.693   4.3623  -0.2352   18.483   18.751   4.4891   58.994   25.295   72.912   9.0935 -13.91736 26.88021 
1 1 1   12   38   13 o  143.685   12.689   72.655   12.489   71.366   17.992   73.854   17.351  140.978   18.917  143.737   17.824 -2.759491 25.99084 
1 1 1   12   38   14 o  270.167   8.2804  253.828   15.483  259.854   22.643  248.537   21.219  272.622   12.001  266.732   11.494 5.890015 16.61716 
1 1 1   12   38   15 o  301.663   11.458  318.585   23.923  318.585   23.923   0.0000   0.0000  301.663   11.458  ?   ?  0.000000 11.45814 
1 1 1   12   38   16 o  126.938   16.055   58.158   13.789   66.780   18.210   46.566   21.113  134.670   20.157  109.422   27.818 25.24806 34.35282 
1 1 1   12   38   17 o   36.119   17.329 -16.7691   12.507 -20.2585   16.701 -12.3122   18.874   42.397   20.256   50.109   23.161 -7.712029 30.76929 
1 1 1   12   40    0 f  692.925   5.9947  1662.10   28.749  1635.20   39.852  1691.29   41.514  687.190   8.3791  698.867   8.5827 -11.67725 11.99471 
1 1 1   12   40    1 o  247.398   7.5539  211.915   12.934  226.390   23.251  205.428   15.565  255.233   13.207  243.551   9.2339 11.68193 16.11506 
1 1 1   12   40    2 o  252.441   6.0782  220.605   10.620  201.198   14.116  245.917   16.120  241.042   8.4612  266.481   8.7404 -25.43889 12.16498 
1 1 1   12   40    3 f  414.823   5.7022  595.679   16.371  580.488   32.381  600.895   18.975  409.303   11.431  416.614   6.5808 -7.310944 13.18958 
1 1 1   12   40    4 o  298.776   9.2301  309.195   19.087   0.0000   0.0000  309.195   19.087  ?   ?   298.776   9.2301 0.000000 9.230075 
1 1 1   12   40    5 o  159.113   9.3028   88.001   10.200  131.317   23.391   77.830   11.334  193.648   17.647  149.454   11.036 44.19312 20.81311 
1 1 1   12   40    6 o  102.697   13.199   37.184   9.1646   20.395   20.588   41.334   10.235   81.903   29.017  108.251   13.987 -26.34837 32.21259 
1 1 1   12   40    7 f  603.205   5.6426  1259.82   23.557  1159.51   45.981  1295.52   27.431  578.206   11.490  611.640   6.4798 -33.43353 13.19118 
1 1 1   12   40    8 o   41.888   17.006   2.4210   7.7019   12.844   18.474   0.2283   8.4735   71.457   27.115   40.827   17.304 30.63010 32.16557 
1 1 1   12   40    9 o  329.863   5.1079  376.813   11.661  338.683   27.251  385.361   12.902  312.159   12.613  333.560   5.5888 -21.40109 13.79607 
1 1 1   12   40   10 o  319.617   6.0569  353.962   13.399  369.561   26.667  348.694   15.497  326.007   11.819  317.158   7.0597 8.848572 13.76661 
1 1 1   12   40   11 o  359.362   5.1351  447.405   12.772   0.0000   0.0000  447.405   12.772  ?   ?   359.362   5.1351 0.000000 5.135052 
1 1 1   12   40   12 o  215.738   6.0282  161.372   9.0010  201.610   21.719  153.028   9.8904  239.935   13.128  210.031   6.8038 29.90363 14.78680 
1 1 1   12   40   13 o  114.188   15.238   46.568   11.743   31.015   17.647   58.927   15.731   91.488   26.403  127.911   18.290 -36.42281 32.11930 
1 1 1   12   40   14 o   94.060   18.068   32.392   11.335   28.049   15.417   37.502   16.722   86.732   24.566   99.866   24.401 -13.13397 34.62526 
1 1 1   12   40   15 o  195.336   10.028  133.677   13.512  143.268   18.433  122.537   19.865  201.323   13.304  185.367   15.629 15.95586 20.52488 
1 1 1   12   40   16 o   91.573   20.998   31.656   13.024   31.088   17.399   32.380   19.643   89.941   26.292   91.722   28.202 -1.780830 38.55721 
1 1 1   12   40   17 o   90.349   28.119   32.171   19.460   0.0000   0.0000   32.171   19.460  ?   ?    90.349   28.119 0.000000 28.11942 
1 1 1   12   42    0 o  803.076   7.4959  2233.13   41.664  2164.10   49.665  2397.07   76.544  790.459   9.0782  831.512   13.300 -41.05243 16.10320 
1 1 1   12   42    1 o  565.212   5.5585  1105.89   21.744  1055.16   29.451  1166.68   32.240  552.014   7.7085  580.436   8.0254 -28.42255 11.12782 
1 1 1   12   42    2 o  673.899   5.9433  1572.19   27.720  1551.28   38.527  1594.62   39.914  669.279   8.3174  678.554   8.4990 -9.274475 11.89166 
1 1 1   12   42    3 f  379.933   6.7161  499.793   17.661   0.0000   0.0000  499.793   17.661  ?   ?   379.933   6.7161 0.000000 6.716149 
1 1 1   12   42    4 o  465.855   5.6576  751.323   18.242  762.927   37.669  747.769   20.849  469.132   11.601  464.722   6.4822 4.409180 13.28950 
1 1 1   12   42    5 o  316.473   6.7814  346.826   14.854  310.927   27.225  362.042   17.724  299.371   13.139  323.301   7.9210 -23.92993 15.34227 
1 1 1   12   42    6 o  881.787   6.9341  2693.00   42.319  2599.51   83.328  2725.49   49.125  865.256   13.915  886.968   8.0024 -21.71173 16.05154 
1 1 1   12   42    7 o  580.228   8.4013  1166.81   33.738  1113.66   45.900  1229.27   49.760  566.457   11.708  595.077   12.082 -28.61993 16.82366 
1 1 1   12   42    8 o  254.563   6.6970  224.521   11.799  221.317   23.639  225.584   13.617  251.907   13.609  255.115   7.7119 -3.208130 15.64227 
1 1 1   12   42    9 o  423.887   5.9130  622.510   17.347  631.219   33.303  619.267   20.322  426.195   11.290  422.689   6.9466 3.505676 13.25595 
1 1 1   12   42   10 o  317.883   5.3193  350.086   11.703   0.0000   0.0000  350.086   11.703  ?   ?   317.883   5.3193 0.000000 5.319263 
1 1 1   12   42   11 o  263.152   4.7840  239.909   8.7131  241.366   22.865  239.661   9.4242  263.086   12.557  262.991   5.1776 0.9497070E-01 13.58260 
1 1 1   12   42   12 o  126.981   5.5421   55.901   4.8707   98.195   18.459   52.735   5.0497  166.401   16.234  123.318   5.9164 43.08255 17.27882 
1 1 1   12   42   13 o  125.077   14.064   55.570   11.964   51.902   17.056   59.122   16.785  118.828   21.532  127.587   19.638 -8.759048 29.14242 
1 1 1   12   42   14 o  177.888   11.168  111.130   13.680  107.219   18.409  115.951   20.442  173.551   15.489  180.174   16.579 -6.622803 22.68853 
1 1 1   12   42   15 o  219.275   9.8747  168.129   14.986  162.146   20.413  175.122   22.071  213.846   13.867  222.049   14.440 -8.202652 20.02003 
1 1 1   12   42   16 o   67.263   26.856   10.966   18.863   0.0000   0.0000   10.966   18.863  ?   ?    67.263   26.856 0.000000 26.85573 
1 1 1   12   44    0 o  102.019   13.619   36.738   9.3760   28.183   12.546   47.560   14.111   88.247   20.869  115.600   18.242 -27.35291 27.71794 
1 1 1   12   44    1 o  217.359   6.9016  163.594   10.383  162.170   14.015  165.327   15.457  216.355   9.3595  218.428   10.224 -2.072250 13.86138 
1 1 1   12   44    2 o  418.624   6.3925  606.783   18.521  556.097   32.290  631.635   22.611  400.505   11.649  427.061   7.6498 -26.55576 13.93622 
1 1 1   12   44    3 o  285.225   5.8993  281.671   11.646  261.147   15.665  307.028   17.412  274.572   8.2433  297.709   8.4506 -23.13712 11.80526 
1 1 1   12   44    4 o  552.278   5.7526  1056.07   21.989  908.293   40.531  1117.71   26.175  511.778   11.443  568.114   6.6570 -56.33667 13.23824 
1 1 1   12   44    6 o  111.079   12.766   43.412   9.6359   21.083   20.134   50.047   10.974   81.980   28.727  119.258   13.536 -37.27770 31.75590 
1 1 1   12   44    7 o  187.036   7.4810  121.242   9.6841  126.829   21.250  119.777   10.880  190.078   16.311  185.865   8.4574 4.213272 18.37333 
1 1 1   12   44    8 o  242.339   6.9319  203.549   11.627  235.317   23.960  193.764   13.297  259.679   13.377  236.374   8.1280 23.30449 15.65238 
1 1 1   12   44    9 o  203.922   6.1108  144.113   8.6246   95.951   20.501  154.470   9.5068  164.475   18.320  211.103   6.5067 -46.62749 19.44156 
1 1 1   12   44   10 o  257.038   5.2386  228.926   9.3194  203.854   22.623  234.050   10.227  241.302   13.601  259.869   5.6864 -18.56743 14.74230 
1 1 1   12   44   11 o  233.397   5.0082  188.775   8.0902  166.829   21.471  192.406   8.7339  217.872   14.319  235.608   5.3560 -17.73569 15.28772 
1 1 1   12   44   12 o   32.471   12.106   2.7984   3.6476   12.780   16.811   2.3053   3.7366   68.389   25.886   31.553   12.141 36.83607 28.59177 
1 1 1   12   44   13 o  197.305   13.903  137.463   18.864  137.463   18.864   0.0000   0.0000  197.305   13.903  ?   ?  0.000000 13.90322 
1 1 1   12   44   14 f   88.150   20.121   28.988   12.005   19.371   16.420   40.034   17.598   75.034   25.962  102.546   25.017 -27.51160 36.05408 
1 1 1   12   44   15 o  164.990   12.278   96.380   13.920   86.976   18.689  108.098   20.861  154.774   17.769  172.769   17.696 -17.99454 25.07751 
1 1 1   12   44   16 o  123.243   15.645   55.231   13.045   66.829   18.285   43.210   18.615  133.658   20.414  104.765   25.835 28.89258 32.92664 
1 1 1   12   46    0 o  531.927   5.5123  979.633   20.294  948.192   27.903  1014.94   29.570  523.199   7.7055  541.290   7.8929 -18.09033 11.03054 
1 1 1   12   46    1 o  330.922   5.6871  379.164   13.025  384.734   18.152  373.253   18.702  333.262   7.8698  328.236   8.2323 5.025757 11.38878 
1 1 1   12   46    3 o  732.430   7.2196  1858.25   36.598  1757.56   61.878  1912.43   45.388  711.604   12.564  742.850   8.8280 -31.24640 15.35524 
1 1 1   12   46    4 o  259.305   6.7896  232.910   12.185  227.415   24.039  234.810   14.136  255.492   13.644  260.318   7.8457 -4.826477 15.73901 
1 1 1   12   46    6 o  337.950   6.6472  395.722   15.548  382.537   28.215  401.472   18.632  331.777   12.287  340.309   7.9106 -8.532288 14.61343 
1 1 1   12   46    7 o  285.349   5.9509  282.100   11.753  244.732   24.288  293.525   13.430  265.175   13.234  291.028   6.6673 -25.85260 14.81831 
1 1 1   12   46    8 o  137.647   8.7499   66.022   8.2925   83.951   20.548   62.534   9.0633  153.394   19.818  133.819   9.8550 19.57484 22.13339 
1 1 1   12   46    9 o  257.280   5.6277  229.392   10.021  186.146   23.690  238.817   11.059  230.302   14.943  262.480   6.0877 -32.17789 16.13570 
1 1 1   12   46   10 o  172.735   6.4204  103.480   7.6757  107.024   19.590  102.838   8.3427  173.863   16.477  172.162   7.0015 1.701431 17.90281 
1 1 1   12   46   11 o  119.087   7.1977   49.416   5.9046   33.815   16.536   51.696   6.3213   95.263   24.827  121.774   7.5373 -26.51087 25.94633 
1 1 1   12   46   12 o   91.160   7.3456   29.060   4.5953   33.024   17.129   28.752   4.7701   93.824   25.645   90.630   7.6768 3.194557 26.76922 
1 1 1   12   46   13 o  120.991   14.859   52.391   12.181   28.180   16.647   80.293   17.872   86.805   25.811  149.296   17.636 -62.49020 31.26065 
1 1 1   12   46   14 o   45.423   19.851  -1.6657   11.828   1.1337   15.164  -6.0146   18.901   53.847   22.995   54.398   24.361 -0.5508919 33.49984 
1 1 1   12   46   15 o   71.360   23.419   18.529   13.363   16.039   19.012   20.961   18.787   72.402   27.499   77.524   27.692 -5.122261 39.02602 
1 1 1   12   48    0 o  397.133   6.3351  546.247   17.413  557.362   20.957  521.463   31.293  401.082   7.5494  387.626   11.664 13.45587 13.89418 
1 1 1   12   48    1 f  309.996   6.5626  332.860   14.080  317.659   21.997  343.412   18.327  302.615   10.502  314.777   8.4121 -12.16187 13.45597 
1 1 1   12   48    2 o  300.035   5.7747  311.759   11.992  306.091   16.455  318.180   17.512  297.192   7.9997  302.984   8.3512 -5.792023 11.56452 
1 1 1   12   48    3 o  412.543   5.3653  589.373   15.319  539.116   20.553  652.194   22.979  394.428   7.5289  433.816   7.6533 -39.38779 10.73576 
1 1 1   12   48    4 o  143.104   10.544   71.463   10.370   63.073   20.335   74.411   12.055  132.223   23.059  145.861   12.049 -13.63829 26.01747 
1 1 1   12   48    5 f  418.204   6.4840  606.001   18.767  640.000   33.710  590.730   22.592  429.217   11.348  412.774   7.9081 16.44220 13.83147 
1 1 1   12   48    6 o  483.188   6.6851  809.167   22.356  791.219   37.832  818.797   27.712  477.099   11.457  485.863   8.2410 -8.764374 14.11318 
1 1 1   12   48    7 o  420.594   5.5218  612.896   16.074  585.854   33.139  621.215   18.381  410.369   11.668  423.366   6.2730 -12.99658 13.24710 
1 1 1   12   48    8 o  294.283   6.3471  300.235   12.928   0.0000   0.0000  300.235   12.928  ?   ?   294.283   6.3471 0.000000 6.347095 
1 1 1   12   48    9 o  171.506   7.9347  102.124   9.4186  123.317   19.679   95.827   10.727  187.024   15.338  165.764   9.3886 21.26064 17.98309 
1 1 1   12   48   10 o  179.851   6.3967  112.215   7.9625  129.463   20.007  108.969   8.6795  191.493   15.221  177.181   7.0778 14.31273 16.78604 
1 1 1   12   48   11 o  273.503   6.2716  259.594   11.872  255.610   23.455  260.967   13.765  270.258   12.539  274.094   7.2562 -3.836060 14.48758 
1 1 1   12   48   12 o   52.975   12.180   10.220   4.3723   19.537   16.356   9.5031   4.5374   75.499   25.923   51.064   12.849 24.43502 28.93287 
1 1 1   12   48   13 o  205.890   9.9335  148.154   14.155  155.122   19.741  140.781   20.308  209.327   13.702  198.980   14.853 10.34744 20.20770 
1 1 1   12   48   14 o  107.947   24.536   44.741   17.916   0.0000   0.0000   44.741   17.916  ?   ?   107.947   24.536 0.000000 24.53603 
1 1 1   12   48   15 o   47.141   20.692  -1.7061   12.975   1.7937   18.599  -5.0244   18.111   58.742   25.285   53.156   23.822 5.585491 34.73950 
1 1 1   12   50    0 o  391.165   6.2543  530.066   16.932  542.439   27.938  522.882   21.287  395.354   10.210  388.381   7.9193 6.973358 12.92137 
1 1 1   12   50    1 o  237.546   6.4966  195.501   10.681  199.580   14.528  190.702   15.757  239.898   8.7500  234.444   9.7110 5.453598 13.07153 
1 1 1   12   50    2 o  486.481   5.4472  819.688   18.341  779.959   24.810  867.558   27.234  474.358   7.5570  500.253   7.8659 -25.89514 10.90785 
1 1 1   12   50    3 o  297.186   5.7995  305.949   11.929  291.091   16.230  323.407   17.592  289.739   8.0933  305.381   8.3235 -15.64206 11.60959 
1 1 1   12   50    4 o  201.139   10.118  140.829   14.040  139.707   21.525  141.658   18.522  199.510   15.716  201.295   13.371 -1.785019 20.63400 
1 1 1   12   50    5 o  332.820   6.0271  383.829   13.883  363.610   28.039  390.396   15.979  323.228   12.534  335.588   6.8799 -12.35980 14.29784 
1 1 1   12   50    6 o  210.545   7.4427  153.748   10.846  112.976   22.792  165.683   12.331  178.482   18.730  218.515   8.1536 -40.03284 20.42788 
1 1 1   12   50    7 o  122.473   12.435   52.801   10.394   0.0000   0.0000   52.801   10.394  ?   ?   122.473   12.435 0.000000 12.43498 
1 1 1   12   50    8 o  248.593   6.1101  214.274   10.513  208.439   22.610  215.883   11.874  243.915   13.445  249.460   6.8776 -5.545197 15.10187 
1 1 1   12   50    9 o   92.187   11.944   30.143   7.4414   30.551   17.535   30.053   8.2181   90.991   26.336   91.778   13.327 -0.7873383 29.51624 
1 1 1   12   50   10 o  143.342   7.7431   71.607   7.6534   85.415   18.752   68.847   8.3835  154.438   17.874  140.418   8.6687 14.01981 19.86491 
1 1 1   12   50   11 o   52.337   19.763   7.3200   9.7843 -12.2098   16.667   17.590   12.086   47.177   21.791   70.178   22.207 -23.00109 31.11302 
1 1 1   12   50   12 o  169.063   5.3946   99.186   6.3122  111.415   19.171   97.699   6.6850  176.669   15.847  167.759   5.7576 8.909851 16.86056 
1 1 1   12   50   13 o  155.551   12.551   85.739   13.397   96.537   19.005   75.073   18.888  163.573   17.037  143.081   19.588 20.49176 25.96083 
1 1 1   12   50   14 o  131.345   15.672   62.478   13.966   62.146   20.232   62.780   19.302  127.517   23.799  128.814   22.468 -1.296738 32.72902 
1 1 1   12   52    0 f  262.433   6.1505  238.634   11.171  246.548   15.338  229.693   16.303  266.610   8.3123  257.272   9.1558 9.337677 12.36625 
1 1 1   12   52    1 o  184.593   8.7371  118.223   11.163  119.681   13.048  114.244   21.556  185.362   10.210  179.933   17.532 5.429062 20.28849 
1 1 1   12   52    2 o  447.673   5.3630  694.235   16.617  682.763   22.981  706.804   24.054  443.747   7.4828  451.466   7.6982 -7.718933 10.73569 
1 1 1   12   52    3 o  181.968   7.4452  114.822   9.3767  113.696   12.501  116.270   14.178  180.646   10.038  182.527   11.278 -1.880447 15.09852 
1 1 1   12   52    4 o  216.361   7.7339  162.380   11.581  162.518   13.313  161.951   23.482  216.370   8.8899  214.681   15.917 1.688751 18.23175 
1 1 1   12   52    5 o   99.834   14.485   35.508   9.7161   60.098   19.877   27.788   11.137  128.445   23.214   87.293   18.976 41.15158 29.98294 
1 1 1   12   52    6 o  235.730   7.0491  192.756   11.501  133.512   24.402  209.672   13.040  194.030   18.391  245.803   7.6648 -51.77299 19.92418 
1 1 1   12   52    7 o  194.634   9.8086  132.098   13.171  117.902   21.532  140.584   16.648  182.359   17.266  200.424   12.058 -18.06537 21.05944 
1 1 1   12   52    8 o  200.302   7.1681  139.273   9.9373  131.122   20.830  141.674   11.307  192.600   15.765  201.936   8.0901 -9.336853 17.71944 
1 1 1   12   52    9 o  157.861   7.5759   86.579   8.2773   49.122   18.169   96.389   9.2982  115.025   23.613  166.521   8.0678 -51.49513 24.95363 
1 1 1   12   52   10 o   50.525   17.385   8.2992   7.3581   29.215   17.144   3.5768   8.1466   88.580   26.158   44.105   17.635 44.47556 31.54735 
1 1 1   12   52   11 o  158.044   6.7287   86.798   7.3602  114.537   20.146   82.525   7.9067  179.017   16.444  154.037   7.4164 24.98056 18.03912 
1 1 1   12   52   12 o   90.881   8.7085   29.072   5.4106   17.327   19.070   30.100   5.6424   74.472   27.698   92.450   8.9294 -17.97851 29.10142 
1 1 1   12   52   13 o   40.468   18.611  -7.9296   11.969 -11.2732   16.678  -4.3785   17.187   47.200   21.801   52.498   23.390 -5.297623 31.97427 
1 1 1   12   54    0 o   68.531   22.791   15.790   12.641   0.0000   0.0000   15.790   12.641  ?   ?    68.531   22.791 0.000000 22.79114 
1 1 1   12   54    1 o  311.595   5.7332  336.442   12.364  320.294   16.869  355.188   18.175  303.830   8.0218  319.932   8.2082 -16.10263 11.47709 
1 1 1   12   54    2 o  142.500   9.2188   70.814   9.0434   79.225   11.792   58.805   14.091  150.469   11.408  128.671   16.181 21.79866 19.79817 
1 1 1   12   54    3 o  291.327   5.7485  294.133   11.591  279.212   15.730  311.860   17.146  283.647   8.0124  299.745   8.2647 -16.09747 11.51102 
1 1 1   12   54    4 o  147.995   8.5207   76.304   8.6908   72.049   11.715   81.513   12.961  143.327   11.917  152.432   12.393 -9.104919 17.19300 
1 1 1   12   54    5 o  142.451   10.952   71.061   10.715   65.220   19.687   73.521   12.773  134.021   21.987  144.586   12.900 -10.56508 25.49143 
1 1 1   12   54    6 o   86.702   16.280   27.227   9.4108   30.795   20.480   26.271   10.596   92.246   28.869   84.725   18.581 7.520645 34.33193 
1 1 1   12   54    7 o  303.145   6.0394  318.735   12.671  304.098   26.037  323.277   14.505  294.953   12.755  305.197   6.8668 -10.24393 14.48558 
1 1 1   12   54    8 o   48.441   21.588  -5.0149   14.652   0.0000   0.0000  -5.0149   14.652  ?   ?    48.441   21.588 0.000000 21.58803 
1 1 1   12   54    9 o   85.418   14.912   26.401   8.4952   24.415   18.363   26.941   9.5822   82.880   27.466   85.899   16.719 -3.018303 32.15412 
1 1 1   12   54   10 o   75.320   15.924   20.802   8.0415   40.220   18.067   16.005   8.9801  102.890   25.499   66.074   18.761 36.81584 31.65748 
1 1 1   12   54   11 o  116.814   8.5456   47.827   6.8610   45.737   19.826   48.112   7.3129  109.024   26.527  117.064   9.0973 -8.039803 28.04384 
1 1 1   12   54   12 o   89.086   9.9449   28.126   6.0271   0.0000   0.0000   28.126   6.0271  ?   ?    89.086   9.9449 0.000000 9.944876 
1 1 1   12   54   13 o  183.873   11.757  119.833   14.884   99.171   20.859  141.268   21.245  164.227   18.684  197.966   15.633 -33.73840 24.36132 
1 1 1   12   56    0 o  115.396   13.932   47.167   10.902   75.220   19.765   34.900   13.070  144.684   20.296   97.785   19.987 46.89906 28.48529 
1 1 1   12   56    1 o  198.777   7.2458  137.083   9.9685  140.430   13.672  133.286   14.565  200.974   9.8295  195.406   10.812 5.568069 14.61199 
1 1 1   12   56    2 o  220.466   9.7068  168.994   14.811  174.927   21.577  163.707   20.368  223.307   14.032  216.070   13.691 7.237000 19.60468 
1 1 1   12   56    3 o  318.453   5.5813  351.514   12.301  346.603   16.848  357.123   18.003  315.988   7.7036  320.694   8.1112 -4.705658 11.18644 
1 1 1   12   56    4 o  221.730   6.3766  170.518   9.7856  169.680   13.460  171.458   14.251  220.959   8.8017  222.062   9.2727 -1.102417 12.78488 
1 1 1   12   56    5 o  116.720   11.371   47.948   9.0694   53.610   13.718   43.552   12.088  122.398   16.624  110.173   16.349 12.22542 23.31573 
1 1 1   12   56    6 o  151.988   9.6720   80.745   10.121   82.341   20.914   80.257   11.566  150.926   20.556  151.283   11.124 -0.3566284 23.37341 
1 1 1   12   56    7 o  233.538   6.9244  189.389   11.192  169.610   22.914  195.586   12.826  219.075   15.207  237.217   7.8122 -18.14214 17.09613 
1 1 1   12   56    8 o   84.204   23.304   26.405   14.042   19.039   18.705   35.917   21.255   76.789   27.610   97.642   29.195 -20.85320 40.18288 
1 1 1   12   56    9 o  159.059   8.0331   88.281   8.8148  118.781   21.223   81.923   9.6901  182.169   17.030  153.010   9.1929 29.15869 19.35311 
1 1 1   12   56   10 o   87.049   13.094   27.242   7.6445   49.561   19.069   22.968   8.3443  114.170   24.839   79.151   15.786 35.01911 29.43028 
1 1 1   12   56   11 o   93.205   11.817   31.019   7.4516   0.0000   0.0000   31.019   7.4516  ?   ?    93.205   11.817 0.000000 11.81667 
1 1 1   12   56   12 o   92.581   9.3992   30.326   5.9392   32.429   20.004   30.123   6.2196   91.090   28.535   92.156   9.9069 -1.065834 30.20604 
1 1 1   12   58    0 o  224.815   6.7751  175.358   10.542  167.796   14.553  183.707   15.291  219.631   9.5737  229.803   9.6142 -10.17276 13.56789 
1 1 1   12   58    1 o   65.092   19.286   15.207   9.3068   9.5630   11.459   26.141   15.951   58.138   21.501   84.721   25.282 -26.58314 33.18847 
1 1 1   12   58    2 o   74.694   19.127   20.464   9.9313   22.422   11.447   14.502   19.974   78.134   20.799   73.795   28.148 4.338722 34.99838 
1 1 1   12   58    3 f  375.639   6.2894  489.486   16.352  498.278   19.450  468.293   30.197  378.819   7.4184  366.275   11.912 12.54443 14.03298 
1 1 1   12   58    4 o  146.283   9.4131   74.779   9.4796   73.220   14.272   76.011   12.681  143.774   14.542  146.930   12.592 -3.155869 19.23614 
1 1 1   12   58    5 o  161.838   7.7569   91.016   8.6886   91.534   11.702   90.380   12.970  161.683   10.515  160.421   11.764 1.261948 15.77803 
1 1 1   12   58    6 o   83.561   17.762   25.629   9.9560  -0.2930   17.570   37.889   12.083   56.992   24.553  102.059   17.751 -45.06717 30.29780 
1 1 1   12   58    7 o  144.630   9.7784   73.285   9.7307   85.268   19.594   69.362   11.211  153.697   18.813  140.323   11.649 13.37334 22.12710 
1 1 1   12   58    8 f   35.237   16.301  -7.4054   9.3801 -37.2585   18.904   2.3461   10.804   39.934   19.632   47.656   19.823 -7.721840 27.89965 
1 1 1   12   58    9 o   84.715   14.902   26.098   8.4186   11.829   20.181   29.104   9.2631   70.232   27.860   89.410   15.533 -19.17751 31.89782 
1 1 1   12   58   10 o   73.068   15.657   19.687   7.6796   20.829   20.161   19.493   8.3058   78.712   28.612   72.470   16.875 6.242378 33.21750 
1 1 1   12   58   11 f  120.038   9.3391   50.754   7.6979   42.063   20.593   52.165   8.2995  102.967   28.108  121.563   9.9517 -18.59599 29.81814 
1 1 1   12   60    0 o  127.377   11.369   57.066   9.9177   59.793   12.221   51.805   16.974  129.926   13.801  118.892   21.416 11.03369 25.47751 
1 1 1   12   60    1 o  112.615   14.084   45.133   10.737   56.976   18.988   39.566   13.018  124.364   22.904  104.224   18.736 20.14063 29.59137 
1 1 1   12   60    2 o  185.568   7.3745  119.612   9.4714  127.816   12.890  109.983   13.964  191.314   9.7671  177.118   11.453 14.19540 15.05176 
1 1 1   12   60    3 o  165.457   8.7889   95.523   10.028  101.659   15.150   90.738   13.379  169.897   12.982  160.644   12.123 9.252899 17.76231 
1 1 1   12   60    4 o  237.934   6.1761  196.475   10.171  205.317   14.141  186.999   14.639  242.932   8.4102  231.733   9.1277 11.19930 12.41153 
1 1 1   12   60    5 o   59.387   17.925   12.644   7.9848   23.807   10.777  -0.9418   11.889   80.166   19.590   46.478   20.110 33.68763 28.07462 
1 1 1   12   60    6 o   95.829   14.473   33.039   9.3002   35.537   18.050   32.136   10.851   96.810   26.270   93.756   17.362 3.053818 31.48886 
1 1 1   12   60    7 o   62.468   20.390   13.661   10.135   14.473   18.966   13.336   11.991   71.749   27.414   63.529   22.174 8.219700 35.25925 
1 1 1   12   60    8 o   44.777   17.913   3.8102   8.4099   30.800   19.705  -2.2009   9.2994   90.306   28.327   39.576   17.440 50.72990 33.26488 
1 1 1   12   60    9 o  117.810   10.758   49.074   8.6748   51.756   20.389   48.482   9.5857  115.727   26.080  116.780   12.032 -1.053032 28.72197 
1 1 1   12   60   10 o  107.365   11.989   41.147   8.7570   0.0000   0.0000   41.147   8.7570  ?   ?   107.365   11.989 0.000000 11.98939 
1 1 1   12   62    0 o  100.029   16.455   36.217   10.996   63.854   18.758   21.750   13.572  132.066   21.242   77.213   23.384 54.85351 31.59174 
1 1 1   12   62    1 f  128.320   10.199   57.798   8.9829   50.858   12.252   65.863   13.209  119.252   15.190  136.182   14.224 -16.92979 20.81013 
1 1 1   12   62    2 o  163.892   8.3102   93.702   9.3956   85.000   12.922  103.463   13.685  155.360   12.113  171.611   11.590 -16.25053 16.76495 
1 1 1   12   62    3 o  241.420   6.2411  202.346   10.428  210.858   14.273  192.599   15.273  246.128   8.3787  235.056   9.3883 11.07153 12.58345 
1 1 1   12   62    4 o  245.578   7.2635  209.662   12.346  205.747   14.544  219.756   23.353  243.043   8.6462  249.651   13.567 -6.608002 16.08758 
1 1 1   12   62    5 o  121.265   10.352   51.757   8.6049   67.648   12.047   35.206   12.295  138.220   12.737   97.746   18.857 40.47355 22.75540 
1 1 1   12   62    6 o  128.776   10.570   58.404   9.3375   59.429   11.996   56.829   14.873  129.178   13.623  125.098   17.670 4.079735 22.31178 
1 1 1   12   62    7 o   53.309   19.832   8.1824   9.7788   11.049   18.605   7.0884   11.494   67.624   26.774   54.277   21.179 13.34685 34.13854 
1 1 1   12   62    8 o   91.818   14.013   30.502   8.6227   17.132   19.447   33.774   9.6201   74.160   27.893   96.462   14.889 -22.30196 31.61818 
1 1 1   12   62    9 o  114.075   18.660   48.250   14.223   0.0000   0.0000   48.250   14.223  ?   ?   114.075   18.660 0.000000 18.66035 
1 1 1   12   64    0 o   91.198   16.796   30.375   10.211   25.364   11.563   48.117   21.757   82.509   20.371  111.921   28.123 -29.41199 34.72524 
1 1 1   12   64    1 o   96.802   13.316   33.532   8.6853   40.855   11.809   24.902   12.820  106.161   16.616   81.650   22.131 24.51077 27.67488 
1 1 1   12   64    2 o  109.101   14.439   42.669   10.635   33.000   20.784   46.099   12.379   93.613   29.047  112.962   16.305 -19.34939 33.31083 
1 1 1   12   64    3 o   92.315   13.576   30.615   8.4149   44.589   11.494   14.476   12.353  111.294   15.329   65.473   22.526 45.82036 27.24708 
1 1 1   12   64    4 o  161.181   7.9930   90.482   8.9167   99.918   12.552   80.868   12.669  168.597   10.814  151.268   12.205 17.32974 16.30638 
1 1 1   12   64    5 o   51.588   18.031   8.6128   7.9293   6.9531   11.239   10.258   11.189   53.752   20.951   58.122   21.286 -4.370655 29.86752 
1 1 1   12   64    6 o   99.286   12.221   35.198   8.2209   37.786   11.280   32.266   12.007  101.688   16.600   93.008   19.285 8.679016 25.44507 
1 1 1   12   64    7 o   65.555   18.781   15.952   8.9580   40.561   19.046   8.9627   10.151  101.825   26.698   54.740   20.237 47.08583 33.50159 
1 1 1   12   66    0 o  146.970   9.6085   75.780   9.7200   73.632   13.122   78.392   14.469  143.962   13.321  148.302   14.273 -4.339493 19.52289 
1 1 1   12   66    1 o  233.590   7.5512  189.958   12.208  218.439   20.887  175.180   15.046  249.326   12.104  223.884   9.7097 25.44188 15.51751 
1 1 1   12   66    2 o  118.781   11.086   49.883   9.0083   50.247   12.667   49.512   12.813  117.920   15.929  116.935   16.273 0.9857178 22.77142 
1 1 1   12   66    3 o   53.896   18.758   9.5257   8.5776   10.484   12.257   8.6060   12.008   59.627   22.199   56.881   21.794 2.745605 31.10935 
1 1 1   12   66    4 o  101.787   12.182   36.972   8.4114   41.872   11.625   31.589   12.186  107.274   16.159   91.842   19.757 15.43210 25.52368 
1 1 1   12   66    5 o   42.115   18.175  -0.3649   9.6596  -2.8978   11.052   7.8293   19.879   42.585   18.876   65.734   27.076 -23.14940 33.00601 
1 1 1   12   66    6 o  133.599   9.5996   62.866   8.8172   77.201   12.478   48.572   12.460  147.323   12.352  115.453   16.026 31.87031 20.23366 
1 1 1   12   68    0 o  123.485   13.022   54.433   10.962   67.659   17.127   45.256   14.266  135.804   18.719  110.410   19.376 25.39386 26.94114 
1 1 1   12   68    1 o  113.865   11.295   46.008   8.7837   47.068   12.025   44.796   12.862  113.923   15.665  110.516   17.389 3.406609 23.40469 
1 1 1   12   68    2 o  122.667   10.685   53.218   8.9805   64.025   12.187   40.375   13.285  133.881   13.329  104.156   19.134 29.72526 23.31899 
1 1 1   12   68    3 o   49.568   18.326   7.2358   8.3234   16.012   11.307  -3.1467   12.298   66.477   21.527   44.800   19.882 21.67728 29.30346 
1 1 1   13    1    0 o  719.361   5.7609  1791.04   28.682  1809.24   40.887  1773.41   40.246  722.951   8.1715  715.759   8.1242 7.192078 11.52285 
1 1 1   13    1    1 o  899.924   6.7310  2803.19   41.924  2757.95   58.391  2851.33   60.230  892.537   9.4524  907.516   9.5892 -14.97845 13.46480 
1 1 1   13    1    2 o  1211.48   8.5509  5081.06   71.698  5101.97  101.808  5060.49  100.989  1213.72   12.120  1208.78   12.071 4.939819 17.10544 
1 1 1   13    1    3 o  730.148   5.8049  1845.34   29.335  1823.11   41.054  1868.54   41.931  725.648   8.1743  734.629   8.2469 -8.980835 11.61165 
1 1 1   13    1    4 o  659.024   5.4625  1503.42   24.915  1484.86   34.914  1522.67   35.566  654.849   7.7035  663.130   7.7492 -8.281067 10.92674 
1 1 1   13    1    5 o  406.360   5.3139  571.632   14.945  598.537   26.445  559.007   18.116  415.673   9.1921  401.814   6.5141 13.85928 11.26622 
1 1 1   13    1    6 o  994.954   7.3020  3427.67   50.283  3371.15   70.039  3487.79   72.233  986.445   10.259  1003.35   10.402 -16.90399 14.60948 
1 1 1   13    1    7 o  582.950   6.0309  1176.36   24.333  1204.22   30.259  1125.37   40.934  589.768   7.4131  570.009   10.376 19.75970 12.75198 
1 1 1   13    1    8 o  675.990   6.5661  1581.81   30.720  1600.49   53.944  1572.85   37.373  679.767   11.466  674.024   8.0113 5.742432 13.98739 
1 1 1   13    1    9 o  653.638   5.6248  1478.78   25.446  1512.68   36.532  1446.83   35.464  661.026   7.9851  646.480   7.9259 14.54596 11.25091 
1 1 1   13    1   10 o  432.579   5.0603  647.661   15.150  656.410   21.627  639.229   21.230  435.455   7.1758  429.720   7.1381 5.735870 10.12148 
1 1 1   13    1   11 o  1376.61   11.146  6564.49  106.201  6643.90  186.039  6526.11  129.346  1383.51   19.429  1372.24   13.619 11.26721 23.72668 
1 1 1   13    1   12 o  363.368   6.3412  457.113   15.948  452.969   19.666  465.073   27.255  361.676   7.8561  366.373   10.748 -4.697144 13.31335 
1 1 1   13    1   13 o  450.337   5.4638  702.104   17.030  735.324   24.568  671.378   23.628  460.773   7.7037  440.280   7.7538 20.49313 10.93017 
1 1 1   13    1   14 f  595.773   5.6859  1229.12   23.445  1230.46   33.255  1227.79   33.060  595.901   8.0631  595.258   8.0245 0.6436157 11.37568 
1 1 1   13    1   15 o  252.203   6.4618  220.406   11.279  237.226   15.924  203.469   15.979  261.502   8.7981  242.130   9.5353 19.37131 12.97413 
1 1 1   13    1   16 o  137.997   11.241   66.711   10.643   74.341   18.098   62.678   13.158  144.314   18.549  133.178   14.510 11.13588 23.54991 
1 1 1   13    1   17 o  171.368   8.0791  102.038   9.5823  101.745   13.786  102.312   13.328  170.342   11.765  170.898   11.333 -0.5561066 16.33585 
1 1 1   13    1   18 o  113.880   11.757   45.856   9.1334   35.752   13.109   55.386   12.732   98.401   19.932  124.490   15.085 -26.08895 24.99697 
1 1 1   13    1   19 o  171.102   9.6431  102.647   11.373  109.597   13.759   87.659   20.206  176.390   11.331  155.037   19.245 21.35245 22.33268 
1 1 1   13    1   20 o  100.251   12.647   36.081   8.5801   39.536   12.350   32.858   11.929  103.285   17.927   93.574   19.066 9.710297 26.17061 
1 1 1   13    1   21 o   49.448   18.500   7.2585   8.5322   16.797   11.998  -2.5021   12.136   67.189   22.197   44.531   19.758 22.65728 29.71669 
1 1 1   13    3    0 o  419.330   4.5533  608.558   13.215  572.195   18.085  650.218   19.357  406.590   6.4266  433.424   6.4528 -26.83459 9.107112 
1 1 1   13    3    1 o  652.336   5.4289  1472.83   24.511  1424.22   33.763  1527.00   35.640  641.435   7.6053  664.173   7.7531 -22.73792 10.86053 
1 1 1   13    3    2 o  957.194   7.0475  3171.56   46.688  3138.67   65.369  3205.81   66.706  952.083   9.9202  962.206   10.017 -10.12354 14.09763 
1 1 1   13    3    3 o  478.012   4.7053  790.857   15.567  768.534   21.676  814.635   22.371  471.178   6.6467  485.104   6.6631 -13.92572 9.411512 
1 1 1   13    3    4 o  275.622   4.5674  262.947   8.7128  268.355   12.358  257.601   12.286  278.413   6.4133  272.776   6.5076 5.637329 9.136700 
1 1 1   13    3    5 f  865.014   7.5746  2591.15   45.348  2615.47   56.008  2544.88   77.268  868.910   9.3133  856.677   13.032 12.23260 16.01760 
1 1 1   13    3    6 o  291.964   5.4781  295.082   11.070  308.795   13.570  267.805   19.138  298.651   6.5651  278.042   9.9453 20.60849 11.91677 
1 1 1   13    3    7 o  1035.84   7.5537  3714.81   54.154  3721.75   76.758  3707.94   76.415  1036.57   10.699  1034.65   10.671 1.922607 15.11105 
1 1 1   13    3    8 o  169.026   6.6866   98.898   7.8223  106.853   11.116   91.094   11.009  175.430   9.1874  161.892   9.8728 13.53818 13.48630 
1 1 1   13    3    9 o  191.745   7.4845  127.274   9.9327  123.610   17.701  128.958   12.000  188.397   13.669  192.996   8.9836 -4.598160 16.35650 
1 1 1   13    3   10 o  820.697   6.4735  2331.46   36.771  2359.48   52.626  2304.74   51.399  825.501   9.2109  815.874   9.1023 9.627075 12.94966 
1 1 1   13    3   11 o  1206.99   8.6457  5044.52   72.224  5062.52  102.540  5026.80  101.746  1208.78   12.257  1204.51   12.205 4.265015 17.29685 
1 1 1   13    3   12 o  182.938   8.0238  115.892   10.159  117.948   14.301  113.796   14.435  184.149   11.275  180.840   11.594 3.309265 16.17232 
1 1 1   13    3   13 o  637.843   6.7197  1408.80   29.665  1425.04   36.773  1378.54   50.197  641.403   8.2836  630.570   11.502 10.83295 14.17424 
1 1 1   13    3   14 o  169.648   8.7357  100.017   10.222  103.976   14.542   96.150   14.372  172.641   12.250  165.941   12.608 6.700180 17.57928 
1 1 1   13    3   15 o  141.328   11.215   69.830   10.879   74.741   13.345   60.098   18.787  145.944   13.360  129.106   21.801 16.83826 25.56912 
1 1 1   13    3   16 o  111.815   11.626   43.995   8.8660   43.372   12.477   44.631   12.601  110.004   16.931  111.646   16.830 -1.642014 23.87251 
1 1 1   13    3   17 o  180.263   8.8971  113.006   11.100  113.561   19.367  112.735   13.546  179.099   15.785  179.492   10.957 -0.3921814 19.21514 
1 1 1   13    3   18 o   84.745   15.489   26.096   8.7498   11.588   12.535   39.880   12.219   61.844   22.549  104.731   17.472 -42.88799 28.52602 
1 1 1   13    3   19 o  175.395   7.9745  107.195   9.6805  117.686   14.101   97.844   13.313  182.839   11.197  166.540   11.623 16.29840 16.13917 
1 1 1   13    3   20 o   98.330   15.403   35.318   10.138   37.014   12.430   31.946   17.523   99.566   18.725   90.448   26.371 9.118500 32.34237 
1 1 1   13    3   21 o   37.409   16.555  -1.9564   8.4666   7.6528   11.920 -11.7402   12.028   54.568   21.486   37.633   17.747 16.93479 27.86805 
1 1 1   13    5    0 o  392.367   4.5192  532.814   12.272  527.381   17.319  538.293   17.392  390.341   6.4108  394.359   6.3722 -4.018066 9.038969 
1 1 1   13    5    1 o  248.927   4.6399  214.457   7.9938  200.238   11.126  229.626   11.492  240.518   6.6839  257.566   6.4468 -17.04778 9.286323 
1 1 1   13    5    2 o  368.329   4.4379  469.541   11.313  463.189   15.881  476.087   16.121  365.806   6.2727  370.865   6.2804 -5.058350 8.876401 
1 1 1   13    5    3 o  338.416   4.4591  396.386   10.444  380.689   14.624  412.729   14.922  331.619   6.3715  345.295   6.2438 -13.67545 8.920793 
1 1 1   13    5    4 o  559.469   5.0469  1083.47   19.543  1089.81   27.799  1077.28   27.478  561.025   7.1593  557.793   7.1177 3.231445 10.09543 
1 1 1   13    5    5 o  477.868   5.4953  790.536   18.175  809.403   22.612  756.097   30.550  483.492   6.7573  467.178   9.4482 16.31433 11.61598 
1 1 1   13    5    6 o  1028.11   7.5041  3659.92   53.397  3708.84   76.447  3613.32   74.615  1034.66   10.676  1021.26   10.556 13.39807 15.01338 
1 1 1   13    5    7 o  901.236   6.7916  2811.79   42.363  2822.54   60.159  2801.22   59.664  902.789   9.6280  899.377   9.5851 3.412842 13.58575 
1 1 1   13    5    8 o  703.615   5.8042  1713.62   28.265  1665.38   39.091  1766.47   40.918  693.568   8.1434  714.301   8.2768 -20.73346 11.61124 
1 1 1   13    5    9 o  1115.61   8.0586  4308.66   62.223  4331.60   88.532  4286.26   87.471  1118.36   11.438  1112.50   11.360 5.862671 16.12077 
1 1 1   13    5   10 o  1095.58   9.2534  4156.01   70.165  4238.54  125.453  4118.44   84.642  1105.76   16.392  1090.48   11.215 15.27930 19.86163 
1 1 1   13    5   11 o  1273.95   9.0395  5620.12   79.703  5719.56  114.765  5527.49  110.775  1284.72   12.907  1263.00   12.672 21.72424 18.08814 
1 1 1   13    5   12 o  268.473   6.1984  249.532   11.518  292.121   16.769  211.502   15.846  290.432   8.3424  247.106   9.2655 43.32669 12.46777 
1 1 1   13    5   13 f  350.046   5.6909  424.227   13.787  431.514   19.700  417.232   19.302  352.957   8.0644  347.069   8.0356 5.888947 11.38442 
1 1 1   13    5   14 o  489.481   7.7114  830.163   26.125  830.163   26.125   0.0000   0.0000  489.481   7.7114  ?   ?  0.000000 7.711445 
1 1 1   13    5   15 o  201.645   7.4757  140.968   10.433  139.850   14.777  142.078   14.733  200.371   10.694  201.980   10.576 -1.608673 15.04033 
1 1 1   13    5   16 o  298.966   5.8264  309.797   12.056  298.501   17.090  320.988   17.009  293.213   8.4213  304.096   8.0817 -10.88330 11.67181 
1 1 1   13    5   17 o  175.596   9.0431  107.536   10.953  109.024   19.697  106.869   13.178  175.276   16.429  174.735   10.952 0.5410004 19.74457 
1 1 1   13    5   18 o   45.290   18.712   2.3791   9.5323 -19.0244   16.702   12.720   11.609   43.514   20.637   62.431   21.817 -18.91656 30.03104 
1 1 1   13    5   19 o   54.437   18.729   9.8549   8.5397   15.375   12.562   5.1112   11.644   66.710   22.721   52.105   20.995 14.60504 30.93614 
1 1 1   13    5   20 o  124.148   10.614   54.568   9.0320   59.834   13.238   49.981   12.354  128.602   15.164  117.239   15.614 11.36282 21.76563 
1 1 1   13    5   21 o   44.573   18.011   3.8668   8.5950   10.136   11.941  -2.8726   12.381   57.689   21.821   44.644   19.874 13.04560 29.51515 
1 1 1   13    7    0 o  844.975   6.4449  2471.37   37.691  2425.11   52.388  2521.00   54.268  836.934   9.0440  853.313   9.1889 -16.37897 12.89300 
1 1 1   13    7    1 o   55.423   13.905   11.060   5.3249   11.952   7.7158   10.249   7.3581   58.506   17.612   54.834   17.325 3.672775 24.70490 
1 1 1   13    7    2 o  1110.94   7.9599  4272.94   61.203  4203.52   85.131  4347.20   88.052  1101.64   11.165  1120.29   11.356 -18.65125 15.92570 
1 1 1   13    7    3 o   62.850   12.965   14.197   5.4525   2.6093   7.5889   26.561   7.8391   41.980   16.937   86.505   13.537 -44.52461 21.68253 
1 1 1   13    7    4 o  419.002   6.5052  607.837   18.865  607.837   18.865   0.0000   0.0000  419.002   6.5052  ?   ?  0.000000 6.505162 
1 1 1   13    7    5 o  693.049   5.6750  1662.80   27.221  1666.48   38.528  1659.12   38.465  693.685   8.0248  692.151   8.0295 1.533875 11.35211 
1 1 1   13    7    6 o  607.608   5.2991  1277.94   22.285  1283.08   31.621  1272.86   31.411  608.747   7.5051  606.319   7.4852 2.428040 10.59974 
1 1 1   13    7    7 o  475.933   4.8731  784.003   16.052  788.206   22.721  779.815   22.680  477.164   6.8800  474.616   6.9045 2.547241 9.747069 
1 1 1   13    7    8 o  706.747   6.6914  1729.02   32.731  1726.83   55.938  1730.16   40.362  706.103   11.446  706.928   8.2493 -0.8244629 14.10905 
1 1 1   13    7    9 o  689.994   6.6515  1647.97   31.764  1698.05   55.940  1624.14   38.589  700.215   11.543  684.942   8.1402 15.27240 14.12441 
1 1 1   13    7   10 o  593.291   5.4443  1218.34   22.355  1211.72   31.614  1224.95   31.616  591.621   7.7208  594.843   7.6795 -3.221741 10.88973 
1 1 1   13    7   11 o  655.950   6.6982  1489.54   30.409  1550.73   55.439  1463.21   36.369  669.010   11.973  650.070   8.0834 18.93964 14.44627 
1 1 1   13    7   13 o  159.857   10.746   88.981   11.820   98.259   14.647   71.659   20.013  167.830   12.704  141.938   21.007 25.89209 24.54953 
1 1 1   13    7   14 o   96.518   14.542   33.101   9.4126   51.459   13.596   16.203   13.044  120.438   16.765   69.793   23.149 50.64576 28.58258 
1 1 1   13    7   15 o   90.153   15.406   29.129   9.2673   22.974   13.005   35.479   13.209   79.739   22.556   98.866   19.991 -19.12677 30.13950 
1 1 1   13    7   16 o  390.626   6.2293  529.018   16.841  542.439   29.951  522.813   20.366  394.788   10.962  388.156   7.5809 6.631744 13.32764 
1 1 1   13    7   17 o   46.892   18.124   5.1327   8.3557   12.146   12.178  -1.1052   11.486   62.490   22.298   45.667   19.763 16.82265 29.79563 
1 1 1   13    7   18 o  203.037   7.0488  143.263   9.9052  156.917   14.473  131.231   13.585  212.065   9.8608  193.623   10.173 18.44257 14.16798 
1 1 1   13    7   19 o   43.974   17.756   3.3505   8.3476   1.0349   12.433   5.2513   11.264   49.078   20.886   51.635   20.705 -2.557735 29.40958 
1 1 1   13    7   20 o  138.716   10.945   68.139   10.422   42.110   13.184  111.512   17.018  106.357   18.586  176.498   14.048 -70.14104 23.29802 
1 1 1   13    7   21 o  140.025   9.6703   69.406   9.3143   66.237   13.437   72.336   12.923  134.854   14.632  141.563   13.347 -6.708862 19.80469 
1 1 1   13    9    0 o  446.540   4.7083  690.132   14.551  668.661   20.132  713.621   21.056  439.507   6.6183  454.041   6.7006 -14.53412 9.418057 
1 1 1   13    9    1 o  684.822   5.6088  1623.31   26.585  1567.32   36.555  1686.16   38.732  672.836   7.8498  697.872   8.0189 -25.03571 11.22152 
1 1 1   13    9    2 o  340.387   6.4158  401.087   15.115   0.0000   0.0000  401.087   15.115  ?   ?   340.387   6.4158 0.000000 6.415774 
1 1 1   13    9    3 o  505.435   9.5902  884.878   33.548   0.0000   0.0000  884.878   33.548  ?   ?   505.435   9.5902 0.000000 9.590208 
1 1 1   13    9    4 o  586.753   5.1930  1191.78   21.089  1174.07   29.438  1210.45   30.225  582.286   7.3046  591.235   7.3864 -8.949402 10.38826 
1 1 1   13    9    5 o  439.167   4.6948  667.597   14.270  671.318   20.255  663.930   20.108  440.335   6.6463  437.905   6.6344 2.429413 9.390873 
1 1 1   13    9    6 o  438.176   4.7285  664.556   14.340  685.966   20.645  644.596   19.933  445.133   6.7010  431.503   6.6746 13.63077 9.457971 
1 1 1   13    9    7 o  922.109   6.9159  2943.50   44.137  2929.10   62.167  2958.13   62.675  919.690   9.7665  924.234   9.7980 -4.543579 13.83422 
1 1 1   13    9    8 o  537.767   5.8806  1000.99   21.887  1012.68   37.275  994.836   27.040  540.790   9.9589  536.081   7.2878 4.709534 12.34062 
1 1 1   13    9    9 o  754.953   6.1018  1972.80   31.883  1986.24   45.437  1959.77   44.749  757.435   8.6674  752.375   8.5935 5.060669 12.20542 
1 1 1   13    9   10 o   84.374   13.788   25.309   7.7733   26.946   11.303   23.840   10.707   86.434   19.374   81.274   19.319 5.159622 27.35990 
1 1 1   13    9   11 o  438.460   5.2458  665.444   15.919  662.641   22.741  668.138   22.292  437.480   7.5105  439.297   7.3319 -1.816162 10.49590 
1 1 1   13    9   12 o  789.160   7.4323  2156.50   40.594  2228.29   73.147  2124.55   48.799  801.650   13.184  783.177   9.0027 18.47278 15.96430 
1 1 1   13    9   13 o  323.635   8.0889  362.820   18.119   0.0000   0.0000  362.820   18.119  ?   ?   323.635   8.0889 0.000000 8.088895 
1 1 1   13    9   14 o  402.516   5.4844  561.065   15.279  563.716   22.002  558.597   21.233  403.318   7.8820  401.500   7.6411 1.818085 10.97781 
1 1 1   13    9   15 o  164.145   10.192   93.936   11.522  106.586   14.139   68.927   19.880  174.687   11.763  138.476   21.435 36.21136 24.45063 
1 1 1   13    9   16 o   93.941   14.129   31.503   8.9022   43.063   13.082   21.534   12.149  109.341   17.907   76.966   21.810 32.37447 28.21958 
1 1 1   13    9   17 o  158.761   8.4418   87.878   9.2426   95.237   13.489   81.365   12.690  164.706   11.913  152.126   12.154 12.58014 17.01880 
1 1 1   13    9   18 o  185.711   10.250  120.798   13.123   0.0000   0.0000  120.798   13.123  ?   ?   185.711   10.250 0.000000 10.24963 
1 1 1   13    9   19 o   55.111   19.407   9.8476   9.1959   12.053   12.245   6.9951   13.927   61.695   22.318   57.601   23.048 4.094559 32.08291 
1 1 1   13    9   20 o   37.672   16.583  -1.7454   8.3877   11.423   11.950 -14.5339   11.776   60.044   21.997   35.729   17.054 24.31417 27.83341 
1 1 1   13   11    0 o  171.004   5.9497  101.224   7.0417   96.983   9.7636  105.822   10.165  167.145   8.4676  174.820   8.4016 -7.674850 11.92835 
1 1 1   13   11    1 o  1167.48   8.3098  4719.53   67.146  4560.34   91.644  4904.03   98.661  1147.31   11.541  1189.71   11.982 -42.39661 16.63623 
1 1 1   13   11    2 o  213.147   7.1742  157.297   10.584  149.366   15.139  164.878   14.801  207.374   10.583  218.176   9.8020 -10.80234 14.42516 
1 1 1   13   11    3 o  384.869   6.5207  512.836   17.369   0.0000   0.0000  512.836   17.369  ?   ?   384.869   6.5207 0.000000 6.520664 
1 1 1   13   11    4 o  536.838   5.0096  997.614   18.613  1020.58   26.699  975.896   25.963  542.900   7.1056  530.883   7.0660 12.01654 10.02086 
1 1 1   13   11    5 o  390.966   4.6524  529.083   12.589  530.388   17.846  527.790   17.762  391.403   6.5876  390.444   6.5728 0.9591064 9.305865 
1 1 1   13   11    7 o  595.553   6.0471  1227.72   24.926  1260.00   43.345  1211.77   30.467  603.182   10.383  591.633   7.4405 11.54834 12.77359 
1 1 1   13   11    8 o  723.137   5.9016  1810.00   29.537  1778.97   41.191  1842.85   42.377  716.837   8.3025  729.591   8.3922 -12.75354 11.80506 
1 1 1   13   11    9 o  948.026   8.1838  3111.44   53.697  3260.00   96.423  3044.65   64.650  969.991   14.363  937.706   9.9615 32.28534 17.47908 
1 1 1   13   11   10 o  695.380   5.8759  1673.78   28.279  1718.54   40.922  1632.86   39.125  704.528   8.3924  686.748   8.2314 17.77954 11.75536 
1 1 1   13   11   11 o  421.913   5.1926  616.167   15.163  626.549   21.746  606.343   21.153  425.399   7.3859  418.485   7.3033 6.913635 10.38704 
1 1 1   13   11   12 o  426.992   6.1660  631.222   18.222  645.979   23.000  606.341   29.864  431.901   7.6942  418.324   10.315 13.57706 12.86846 
1 1 1   13   11   13 o  561.596   6.4301  1092.15   24.993  1125.37   45.666  1077.94   29.862  569.651   11.583  557.849   7.7344 11.80182 13.92768 
1 1 1   13   11   14 o  371.961   5.5271  479.143   14.229  501.165   20.608  459.080   19.670  380.271   7.8301  363.957   7.8087 16.31491 11.05828 
1 1 1   13   11   15 o  282.067   6.8065  275.796   13.288  230.488   22.546  299.908   16.448  257.324   12.659  294.037   8.0822 -36.71295 15.01946 
1 1 1   13   11   16 o  126.201   12.431   56.071   10.717   44.310   13.004   80.976   18.923  111.012   17.505  150.587   18.549 -39.57565 25.50432 
1 1 1   13   11   17 o   90.874   14.066   29.613   8.5607   34.185   12.739   25.848   11.560   96.466   19.746   83.651   20.196 12.81478 28.24463 
1 1 1   13   11   18 f   40.418   17.015   0.9294   8.1049   17.668   12.003 -13.0992   10.988   70.122   22.125   35.143   16.688 34.97873 27.71259 
1 1 1   13   11   19 o  275.496   5.9934  263.750   11.428  267.484   16.692  260.455   15.679  276.799   8.7129  273.251   8.2904 3.547882 12.02687 
1 1 1   13   11   20 o   43.543   18.215   1.9132   9.1958  -5.8829   16.969   5.1546   10.942   50.783   22.884   50.578   20.362 0.2055855 30.63109 
1 1 1   13   13    0 o  539.562   5.0750  1007.72   18.952  928.469   25.329  1108.53   28.567  517.850   7.0670  565.830   7.2945 -47.98041 10.15638 
1 1 1   13   13    1 o  332.374   5.3534  382.409   12.315  363.053   14.804  425.902   22.191  323.828   6.6051  350.668   9.1432 -26.83975 11.27943 
1 1 1   13   13    2 o  134.799   7.1587   63.094   6.6549   72.012   9.1945   53.282   9.6445  143.887   9.2822  123.471   11.415 20.41671 14.71274 
1 1 1   13   13    3 o  291.557   4.7450  294.246   9.5750  269.602   13.238  321.283   13.866  279.040   6.8546  304.621   6.5768 -25.58017 9.499455 
1 1 1   13   13    4 o  898.467   6.7634  2794.96   42.058  2731.21   58.306  2864.10   60.725  887.941   9.4875  909.269   9.6493 -21.32867 13.53223 
1 1 1   13   13    5 o  228.163   5.1215  180.195   8.0877  199.391   11.760  162.969   11.140  239.982   7.0803  216.954   7.4192 23.02733 10.25554 
1 1 1   13   13    6 o  510.155   5.6417  900.862   19.920  960.488   35.372  873.170   24.106  526.640   9.7045  502.221   6.9351 24.41895 11.92782 
1 1 1   13   13    7 o  619.531   5.4096  1328.49   23.195  1297.79   32.371  1360.88   33.253  612.274   7.6390  626.977   7.6632 -14.70313 10.82025 
1 1 1   13   13    8 o  966.979   7.1921  3236.78   48.134  3156.74   66.430  3325.25   69.841  954.809   10.052  979.948   10.297 -25.13904 14.39056 
1 1 1   13   13    9 o  265.876   6.1245  244.684   11.270  253.951   14.171  228.732   18.592  270.848   7.5594  257.007   10.452 13.84116 12.89909 
1 1 1   13   13   10 o  559.507   5.3588  1083.55   20.751  1085.16   29.626  1082.01   29.076  559.859   7.6456  559.050   7.5146 0.8091431 10.72027 
1 1 1   13   13   11 o  484.458   6.0170  812.476   20.175  813.675   25.017  810.244   34.119  484.771   7.4563  483.635   10.193 1.135315 12.62912 
1 1 1   13   13   12 o  609.536   5.6746  1286.23   23.939  1326.45   34.961  1250.72   32.848  618.862   8.1624  600.951   7.8975 17.91077 11.35762 
1 1 1   13   13   13 o  626.049   5.7535  1357.09   24.930  1379.50   36.112  1336.68   34.458  631.009   8.2688  621.160   8.0151 9.848938 11.51588 
1 1 1   13   13   14 o  553.443   6.3273  1061.07   24.237  1075.61   42.451  1054.04   29.521  556.632   11.019  551.464   7.7346 5.167786 13.46260 
1 1 1   13   13   15 o  256.022   6.2630  227.174   11.098  236.952   16.006  218.122   15.400  261.278   8.8514  250.679   8.8764 10.59863 12.53544 
1 1 1   13   13   16 o  169.644   8.0118   99.930   9.4069   89.802   13.366  109.869   13.242  160.016   12.160  177.307   10.843 -17.29143 16.29169 
1 1 1   13   13   17 o  328.177   6.4785  373.803   14.715  380.657   18.002  360.000   25.545  330.942   7.8593  321.047   11.496 9.895020 13.92602 
1 1 1   13   13   18 o  107.438   11.829   40.929   8.6504   21.509   12.427   59.183   12.049   76.243   22.201  128.974   13.708 -52.73045 26.09218 
1 1 1   13   13   19 o   48.286   18.227   6.3595   8.3210   4.4814   12.321   7.9346   11.283   52.367   21.413   54.931   21.107 -2.563568 30.06672 
1 1 1   13   13   20 o   81.444   17.350   24.845   9.4806   53.415   17.925   13.749   11.171  117.965   22.779   62.583   21.426 55.38205 31.27253 
1 1 1   13   15    0 o  251.984   5.9162  219.819   10.318  211.413   12.456  238.195   18.417  247.094   7.2836  262.206   10.149 -15.11130 12.49177 
1 1 1   13   15    1 o  850.544   7.5386  2505.09   44.377  2314.15   71.447  2625.02   56.625  817.007   12.635  870.510   9.3984 -53.50281 15.74729 
1 1 1   13   15    2 o  471.717   4.8453  770.248   15.819  724.647   21.645  822.528   23.176  457.478   6.8362  487.395   6.8704 -29.91714 9.692072 
1 1 1   13   15    4 o  761.821   6.0437  2009.16   31.867  1974.71   44.502  2045.41   45.652  755.125   8.5150  768.519   8.5828 -13.39459 12.09009 
1 1 1   13   15    5 o  898.645   7.8726  2796.09   48.965  2751.36   59.042  2894.63   87.628  891.316   9.5710  913.841   13.855 -22.52539 16.83902 
1 1 1   13   15    6 o  340.497   5.6068  401.302   13.213  412.996   16.165  377.756   22.938  345.404   6.7618  330.274   10.035 15.12991 12.10021 
1 1 1   13   15    7 f  982.319   8.4265  3340.76   57.290  3335.41   69.895  3351.71  100.008  981.426   10.290  983.484   14.692 -2.058167 17.93736 
1 1 1   13   15    8 o  1402.41   9.7851  6809.88   94.977  6922.01  136.565  6704.84  132.178  1413.50   13.959  1391.18   13.728 22.32410 19.57848 
1 1 1   13   15    9 o  768.192   6.1706  2042.64   32.807  2047.52   46.500  2037.80   46.294  769.016   8.7366  767.190   8.7185 1.826843 12.34268 
1 1 1   13   15   10 o  199.929   8.3617  138.401   11.570  119.902   15.765  160.000   17.035  185.620   12.342  214.603   11.511 -28.98349 16.87650 
1 1 1   13   15   11 o  413.172   5.2264  590.922   14.945  609.804   21.458  573.132   20.828  419.663   7.3878  406.849   7.3967 12.81445 10.45423 
1 1 1   13   15   12 o  572.415   5.5633  1134.34   22.041  1183.89   32.169  1090.51   30.259  584.659   7.9498  561.136   7.7912 23.52380 11.13114 
1 1 1   13   15   13 o  853.410   7.7306  2523.12   45.661  2633.17   81.530  2472.82   55.116  870.843   13.527  844.636   9.4283 26.20715 16.48847 
1 1 1   13   15   14 o  165.446   9.9547   95.330   11.346   84.927   23.052   98.655   13.034  154.063   22.265  168.171   11.263 -14.10759 24.95156 
1 1 1   13   15   15 o  203.920   7.1417  144.201   10.079  125.551   14.741  160.575   13.813  189.653   11.281  215.034   9.2812 -25.38020 14.60849 
1 1 1   13   15   16 o  188.834   7.1719  123.749   9.3733  131.490   13.361  116.247   13.153  194.141   9.9776  182.435   10.460 11.70573 14.45584 
1 1 1   13   15   17 o  192.031   7.9229  128.197   10.530  140.633   13.480  108.732   16.866  200.901   9.6950  175.468   14.004 25.43307 17.03263 
1 1 1   13   15   18 f   55.916   19.982   9.8049   9.7832   2.7161   12.045   23.546   16.770   50.277   20.924   80.566   26.226 -30.28931 33.54983 
1 1 1   13   15   19 o   74.321   16.584   20.492   8.3137   27.857   12.453   14.571   11.166   85.765   21.120   64.287   21.423 21.47797 30.08312 
1 1 1   13   15   20 o  100.935   12.308   36.607   8.4199   45.121   12.726   29.977   11.229  110.463   17.206   89.084   18.803 21.37883 25.48703 
1 1 1   13   17    0 o  605.869   5.3969  1270.72   22.631  1159.58   29.980  1417.96   34.505  578.674   7.4854  639.889   7.7910 -61.21454 10.80422 
1 1 1   13   17    1 o  574.115   6.0537  1141.12   24.054  1141.19   29.564  1140.98   41.375  574.070   7.4408  573.840   10.418 0.2304077 12.80216 
1 1 1   13   17    2 f  774.862   6.1416  2078.65   32.937  1972.12   44.507  2207.62   48.973  754.598   8.5219  798.356   8.8630 -43.75818 12.29536 
1 1 1   13   17    3 o  607.797   5.3465  1278.77   22.491  1272.31   31.925  1285.13   31.690  606.169   7.6095  609.219   7.5159 -3.050964 10.69545 
1 1 1   13   17    4 o  1022.02   7.4839  3616.40   52.938  3578.59   74.162  3655.68   75.588  1016.41   10.542  1027.29   10.631 -10.88098 14.97209 
1 1 1   13   17    5 o  994.997   10.351  3428.83   71.283  3372.20   98.645  3490.73  103.124  986.361   14.450  1003.50   14.848 -17.14148 20.71852 
1 1 1   13   17    6 o  756.481   7.0147  1981.00   36.727  1954.25   44.393  2039.02   65.381  751.297   8.5374  767.219   12.313 -15.92181 14.98311 
1 1 1   13   17    7 o  1132.53   9.4372  4440.95   73.972  4486.54   91.357  4354.15  126.051  1138.18   11.597  1120.83   16.249 17.34937 19.96328 
1 1 1   13   17    8 o  558.964   10.710  1081.95   41.432   0.0000   0.0000  1081.95   41.432  ?   ?   558.964   10.710 0.000000 10.70962 
1 1 1   13   17    9 o  502.939   6.0402  875.556   21.026  868.981   25.298  890.244   37.810  501.019   7.2954  507.005   10.775 -5.985626 13.01237 
1 1 1   13   17   10 f  771.136   7.1379  2058.72   38.096  2093.05   47.742  1998.54   63.208  777.448   8.8726  759.479   12.025 17.96808 14.94388 
1 1 1   13   17   11 o  662.120   5.7736  1517.67   26.458  1586.66   38.973  1458.69   36.034  676.870   8.3193  649.019   8.0220 27.85199 11.55694 
1 1 1   13   17   12 o  236.335   6.3281  193.396   10.351  195.730   15.312  191.432   14.047  237.679   9.3081  235.075   8.6335 2.604187 12.69561 
1 1 1   13   17   13 o  476.864   5.3495  787.384   17.656  789.016   25.492  785.879   24.477  477.209   7.7181  476.281   7.4254 0.9282837 10.71008 
1 1 1   13   17   14 o  259.887   7.3615  234.117   13.241  248.649   16.192  204.781   23.006  267.741   8.7380  242.173   13.783 25.56801 16.31925 
1 1 1   13   17   15 o   74.236   16.776   20.056   8.4163   14.418   12.636   24.552   11.284   66.494   22.787   81.920   20.061 -15.42642 30.35985 
1 1 1   13   17   16 o  366.330   5.4342  465.198   13.778  483.831   20.039  448.491   18.975  373.262   7.7569  359.393   7.6283 13.86963 10.87937 
1 1 1   13   17   17 o  146.352   8.4688   74.774   8.5416   82.871   12.630   67.948   11.596  153.455   11.986  138.821   12.192 14.63399 17.09762 
1 1 1   13   17   18 o  187.764   7.0985  122.616   9.2248  129.806   13.788  116.791   12.412  192.371   10.395  182.569   9.8591 9.802078 14.32665 
1 1 1   13   17   19 o  156.886   12.724   87.475   13.697   87.366   18.454   87.610   20.439  155.007   17.509  154.322   19.576 0.6842041 26.26375 
1 1 1   13   17   20 o  106.244   11.570   40.377   8.3702   56.132   13.041   29.341   10.915  124.024   15.533   88.128   18.485 35.89547 24.14531 
1 1 1   13   19    0 o   60.990   16.447   13.342   7.1015  -3.8104   9.9298   31.299   10.160   40.104   17.829   93.633   16.269 -53.52868 24.13564 
1 1 1   13   19    1 o  538.776   7.3026  1005.09   27.231   0.0000   0.0000  1005.09   27.231  ?   ?   538.776   7.3026 0.000000 7.302629 
1 1 1   13   19    2 o  423.328   6.8603  620.443   20.100  620.443   20.100   0.0000   0.0000  423.328   6.8603  ?   ?  0.000000 6.860310 
1 1 1   13   19    3 o  444.525   4.8743  683.958   14.996  663.964   20.961  704.924   21.464  437.932   6.9156  451.240   6.8727 -13.30719 9.749872 
1 1 1   13   19    4 o  532.082   5.8056  979.984   21.380  960.488   36.264  990.370   26.469  526.628   9.9494  534.858   7.1502 -8.229553 12.25220 
1 1 1   13   19    5 o  1417.16   11.400  6956.26  111.811  6894.41  135.573  7087.81  197.712  1410.54   13.887  1429.16   19.988 -18.62231 24.33890 
1 1 1   13   19    6 o  278.859   6.0778  269.163   11.730  272.921   14.183  261.024   20.869  280.785   7.2982  274.540   10.983 6.245209 13.18673 
1 1 1   13   19    7 o  1599.26   12.726  8859.11  140.862  9115.39  177.594  8424.39  231.299  1621.81   15.822  1558.18   21.448 63.62549 26.65190 
1 1 1   13   19    8 o  446.780   10.349  691.219   32.000   0.0000   0.0000  691.219   32.000  ?   ?   446.780   10.349 0.000000 10.34868 
1 1 1   13   19    9 o  465.668   6.0150  750.609   19.386  742.265   23.321  769.268   34.874  463.044   7.2769  471.286   10.692 -8.242249 12.93311 
1 1 1   13   19   10 f  612.418   6.4678  1298.40   27.414  1305.78   33.491  1283.42   47.726  614.099   7.8797  608.631   11.330 5.467834 13.80053 
1 1 1   13   19   11 o  604.029   5.5740  1263.05   23.303  1320.98   34.275  1213.25   31.776  617.608   8.0184  591.902   7.7567 25.70667 11.15625 
1 1 1   13   19   12 o  819.405   7.4515  2325.48   42.259  2438.54   75.354  2273.61   51.041  838.362   12.987  810.045   9.1040 28.31696 15.85986 
1 1 1   13   19   13 o  363.356   6.2980  457.296   15.838  471.756   30.977  452.178   18.429  368.610   12.142  361.257   7.3709 7.353241 14.20412 
1 1 1   13   19   14 o  311.463   5.4925  336.045   11.840  349.946   17.344  323.914   16.203  317.669   7.8886  305.644   7.6593 12.02533 10.99528 
1 1 1   13   19   15 o   95.162   12.533   32.098   8.0537   24.149   11.731   39.185   11.076   81.200   20.786  104.686   15.777 -23.48557 26.09548 
1 1 1   13   19   16 o  182.469   7.2801  115.595   9.1940  139.039   14.077   98.156   12.141  199.546   10.227  167.523   10.525 32.02344 14.67555 
1 1 1   13   19   17 o  107.653   11.024   40.907   8.0977   28.977   12.443   49.670   10.665   88.306   20.717  118.264   13.258 -29.95818 24.59590 
1 1 1   13   19   18 o   47.943   18.594   5.5003   8.8186  -1.9254   17.010   8.2296   10.313   54.370   23.782   54.166   20.324 0.2039604 31.28370 
1 1 1   13   19   19 o  138.104   9.2475   67.045   8.7880   55.909   12.798   76.982   12.089  124.372   15.182  147.290   11.962 -22.91755 19.32857 
1 1 1   13   19   20 o   33.758   15.998 -10.9951   10.001  -7.3234   11.802 -20.3463   18.835   40.201   18.485   45.516   21.681 -5.314426 28.49156 
1 1 1   13   21    0 o  358.395   5.7922  444.632   14.368  431.707   23.907  451.939   17.976  353.050   9.7837  361.299   7.1887 -8.248749 12.14083 
1 1 1   13   21    1 o  294.394   5.0997  299.987   10.391  289.001   14.620  311.203   14.772  288.918   7.3111  299.814   7.1187 -10.89618 10.20427 
1 1 1   13   21    2 o  1036.69   7.6063  3721.00   54.576  3617.21   75.199  3836.50   79.331  1021.90   10.632  1052.40   10.891 -30.49554 15.22069 
1 1 1   13   21    3 o  635.120   6.3245  1396.34   27.801  1343.90   46.559  1425.40   34.658  622.896   10.800  641.643   7.8043 -18.74713 13.32442 
1 1 1   13   21    4 o  571.141   7.4080  1129.28   29.283   0.0000   0.0000  1129.28   29.283  ?   ?   571.141   7.4080 0.000000 7.407986 
1 1 1   13   21    5 o  517.504   5.9785  926.984   21.413  924.443   26.118  932.195   37.399  516.765   7.3025  518.837   10.415 -2.071777 12.71999 
1 1 1   13   21    6 o  1208.82   9.9718  5059.70   83.428  5142.79  103.709  4907.32  140.446  1218.53   12.297  1189.82   17.055 28.70520 21.02591 
1 1 1   13   21    7 o  456.250   4.9523  720.469   15.638  734.437   22.922  708.308   21.389  460.615   7.1902  452.354   6.8318 8.260986 9.918273 
1 1 1   13   21    8 o  642.316   10.705  1428.78   47.591   0.0000   0.0000  1428.78   47.591  ?   ?   642.316   10.705 0.000000 10.70528 
1 1 1   13   21    9 o  456.374   5.0478  720.904   15.944  756.479   23.619  691.119   21.612  467.447   7.3004  446.805   6.9886 20.64182 10.10629 
1 1 1   13   21   10 o  384.616   5.0546  512.051   13.455  549.864   20.100  481.347   18.112  398.510   7.2874  372.862   7.0185 25.64722 10.11756 
1 1 1   13   21   11 o  269.171   10.457  251.073   19.480  251.073   19.480   0.0000   0.0000  269.171   10.457  ?   ?  0.000000 10.45662 
1 1 1   13   21   12 o  497.377   6.2429  856.653   21.491  867.745   26.258  834.146   37.403  500.508   7.5799  490.457   11.019 10.05133 13.37418 
1 1 1   13   21   13 o   51.930   19.925   6.3385   10.045   15.728   12.167 -13.7610   17.802   68.301   22.344   49.012   22.597 19.28991 31.77859 
1 1 1   13   21   14 o  229.359   6.1864  182.299   9.8203  190.430   14.579  175.544   13.287  234.236   8.9926  224.928   8.5352 9.308426 12.39825 
1 1 1   13   21   15 o  190.176   7.6328  125.519   10.047  116.978   13.237  137.122   15.429  183.062   10.492  198.116   11.299 -15.05424 15.41890 
1 1 1   13   21   16 o  167.173   7.5213   97.069   8.7024   83.301   12.868  108.673   11.813  153.939   12.177  176.404   9.7132 -22.46454 15.57675 
1 1 1   13   21   17 o  291.674   5.6308  295.195   11.367  309.015   16.919  283.824   15.347  297.975   8.2037  285.656   7.7623 12.31870 11.29397 
1 1 1   13   21   18 o  120.865   10.102   51.460   8.3733   37.061   12.761   62.347   11.096  100.004   19.134  132.611   12.227 -32.60785 22.70737 
1 1 1   13   21   19 o  177.133   7.5364  109.442   9.2393   96.757   13.658  120.144   12.545  165.136   12.033  184.828   9.8425 -19.69194 15.54563 
1 1 1   13   21   20 o  117.492   10.879   49.211   8.7462   46.251   12.780   51.819   11.996  111.535   17.101  119.132   14.872 -7.597015 22.66306 
1 1 1   13   23    0 o  368.377   5.7673  469.725   14.704  443.512   24.968  483.644   18.194  357.858   10.081  373.772   7.0331 -15.91495 12.29165 
1 1 1   13   23    2 o  604.777   6.2673  1266.08   26.233  1320.97   46.651  1240.70   31.724  617.569   10.914  598.642   7.6568 18.92700 13.33235 
1 1 1   13   23    3 o  836.448   9.1890  2422.57   53.197   0.0000   0.0000  2422.57   53.197  ?   ?   836.448   9.1890 0.000000 9.189050 
1 1 1   13   23    4 o  1142.86   8.2308  4521.85   65.104  4427.57   90.234  4624.20   94.025  1130.65   11.531  1155.46   11.757 -24.81409 16.46818 
1 1 1   13   23    6 o  629.065   6.4312  1369.75   28.001  1370.69   34.154  1367.81   48.900  629.246   7.8423  628.467   11.242 0.7791138 13.70728 
1 1 1   13   23    7 o  756.779   6.9990  1982.50   36.659  2026.82   46.272  1907.81   60.077  765.127   8.7379  742.188   11.696 22.93884 14.59920 
1 1 1   13   23    8 o  947.393   7.1398  3107.17   46.816  3247.74   69.278  2989.02   63.513  968.394   10.336  929.053   9.8775 39.34106 14.29696 
1 1 1   13   23    9 o  667.823   5.7470  1543.81   26.563  1578.72   38.737  1512.83   36.495  675.224   8.2890  661.000   7.9773 14.22467 11.50411 
1 1 1   13   23   10 o  219.464   6.6419  166.757   10.089  158.244   16.398  171.941   12.797  213.406   11.141  222.820   8.2983 -9.413467 13.89175 
1 1 1   13   23   11 o  542.221   5.3656  1017.83   20.136  1057.17   29.475  983.396   27.573  552.484   7.7084  532.872   7.4762 19.61255 10.73836 
1 1 1   13   23   12 o  565.694   6.3878  1108.28   25.010  1225.85   48.674  1066.11   29.152  594.379   11.832  554.737   7.5929 39.64233 14.05874 
1 1 1   13   23   13 o  387.655   6.1495  520.600   16.499  536.541   20.163  488.293   28.705  393.449   7.4043  374.983   11.060 18.46664 13.30983 
1 1 1   13   23   14 o  218.983   6.8003  166.253   10.307  180.102   13.547  147.219   15.882  227.796   8.5923  205.441   11.212 22.35544 14.12561 
1 1 1   13   23   15 o  239.236   5.8572  198.424   9.6982  202.168   14.202  195.152   13.276  241.239   8.5058  237.059   8.0914 4.179474 11.73967 
1 1 1   13   23   16 o   56.574   17.157   11.386   7.3022   9.8108   10.998   12.628   9.7655   57.730   21.110   60.756   20.024 -3.025288 29.09612 
1 1 1   13   23   17 o  256.114   6.4461  227.842   11.426  258.634   20.169  213.287   13.866  271.982   10.714  247.533   8.0938 24.44843 13.42778 
1 1 1   13   23   18 o  101.522   11.398   36.632   7.8704   27.369   12.232   43.177   10.281   85.197   20.901  109.686   13.852 -24.48892 25.07480 
1 1 1   13   23   19 o  257.007   5.8752  229.742   10.451  223.480   15.346  235.158   14.271  252.694   8.7745  259.474   7.9467 -6.780197 11.83821 
1 1 1   13   25    0 o  993.486   7.3920  3416.88   50.828  3212.20   96.044  3496.51   59.904  962.772   14.414  1004.93   8.6127 -42.15680 16.79074 
1 1 1   13   25    1 o  715.500   8.3976  1772.44   41.586   0.0000   0.0000  1772.44   41.586  ?   ?   715.500   8.3976 0.000000 8.397611 
1 1 1   13   25    2 o  839.882   6.5557  2441.76   38.108  2340.87   52.069  2558.14   55.922  822.239   9.1497  859.539   9.4002 -37.29962 13.11800 
1 1 1   13   25    3 o  732.018   6.0218  1854.76   30.509  1769.47   41.648  1953.52   44.818  714.914   8.4172  751.166   8.6206 -36.25220 12.04840 
1 1 1   13   25    4 o  862.518   6.6701  2575.11   39.818  2529.59   55.610  2622.99   57.039  854.753   9.4002  870.387   9.4686 -15.63416 13.34230 
1 1 1   13   25    5 o  435.429   7.0283  656.300   21.181   0.0000   0.0000  656.300   21.181  ?   ?   435.429   7.0283 0.000000 7.028295 
1 1 1   13   25    6 o  920.346   9.8896  2932.90   62.995  2932.90   62.995   0.0000   0.0000  920.346   9.8896  ?   ?  0.000000 9.889565 
1 1 1   13   25    7 o  510.401   5.1606  901.668   18.230  935.577   26.778  872.374   24.889  519.861   7.4423  502.001   7.1634 17.86011 10.32969 
1 1 1   13   25    8 o  358.410   6.8684  444.703   17.038   0.0000   0.0000  444.703   17.038  ?   ?   358.410   6.8684 0.000000 6.868439 
1 1 1   13   25    9 o  653.825   5.6777  1479.81   25.693  1520.19   37.502  1444.09   35.271  662.574   8.1778  645.792   7.8914 16.78217 11.36445 
1 1 1   13   25   10 o  542.623   5.3106  1019.27   19.944  1057.39   29.388  986.722   27.156  552.575   7.6842  533.807   7.3502 18.76813 10.63357 
1 1 1   13   25   11 o  348.733   5.1945  421.032   12.538  424.783   18.223  417.660   17.277  350.203   7.5182  347.267   7.1882 2.935852 10.40160 
1 1 1   13   25   12 o  455.084   5.2064  717.120   16.399  760.994   24.109  679.346   22.371  468.653   7.4329  442.808   7.2994 25.84467 10.41769 
1 1 1   13   25   13 o  179.584   6.9142  111.776   8.5938  123.641   13.250  103.160   11.291  188.432   10.198  172.145   9.5134 16.28668 13.94635 
1 1 1   13   25   14 o  259.181   6.6666  232.914   11.959  230.177   14.390  239.024   21.500  257.537   8.0732  262.010   11.856 -4.473145 14.34378 
1 1 1   13   25   15 o  209.540   6.1089  152.270   8.8595  194.928   13.743  121.933   11.589  236.857   8.3831  187.279   8.9411 49.57819 12.25639 
1 1 1   13   25   16 o  349.164   5.7141  422.922   13.809  431.220   23.644  418.627   17.011  351.768   9.7116  347.161   7.0800 4.606598 12.01833 
1 1 1   13   25   17 o  190.691   6.5310  126.350   8.6196  126.332   12.878  126.364   11.602  189.943   9.8295  190.386   8.8046 -0.4426422 13.19620 
1 1 1   13   25   18 o  119.274   9.6044   50.094   7.8614   38.845   11.842   58.957   10.511  102.856   17.246  128.895   11.918 -26.03823 20.96311 
1 1 1   13   25   19 o  130.462   9.1514   59.953   8.2109   67.359   12.350   54.086   10.992  137.085   13.179  122.726   13.145 14.35903 18.61455 
1 1 1   13   27    0 o  493.079   5.9029  841.531   20.145   0.0000   0.0000  841.531   20.145  ?   ?   493.079   5.9029 0.000000 5.902925 
1 1 1   13   27    1 o  914.231   8.0488  2893.52   50.929  2753.66   84.570  2973.11   63.794  891.535   13.706  926.625   9.9472 -35.08960 16.93489 
1 1 1   13   27    2 o  683.945   5.8006  1619.10   27.458  1453.66   51.315  1685.47   32.502  647.877   11.444  697.799   6.7299 -49.92200 13.27614 
1 1 1   13   27    3 o  1934.91   13.128 12968.58  175.808 13175.61  358.349 12902.96  201.758  1947.35   26.588  1929.70   15.106 17.64807 30.57979 
1 1 1   13   27    4 o  1027.94   7.5909  3657.79   54.005  3588.88   75.132  3731.47   77.683  1018.05   10.663  1038.06   10.812 -20.01843 15.18577 
1 1 1   13   27    5 o  516.524   5.2660  923.417   18.825  914.452   26.760  932.203   26.489  513.968   7.5226  518.936   7.3752 -4.967590 10.53484 
1 1 1   13   27    6 o  664.131   6.7417  1526.79   30.988  1542.87   38.053  1495.12   53.393  667.573   8.2360  657.017   11.742 10.55573 14.34213 
1 1 1   13   27    7 f  1450.43   10.108  7285.63  101.471  7265.13  143.236  7306.28  143.769  1447.84   14.294  1451.93   14.307 -4.092041 20.22381 
1 1 1   13   27    8 o  1149.57   8.3017  4575.94   66.051  4719.51   96.548  4449.64   90.559  1167.08   11.953  1133.27   11.546 33.81055 16.61838 
1 1 1   13   27    9 o  535.273   5.9029  991.884   21.868  1000.98   37.349  987.141   26.976  537.531   10.039  533.939   7.2997 3.591431 12.41263 
1 1 1   13   27   10 o  387.233   5.1380  519.093   13.770  545.761   20.658  497.765   18.473  396.976   7.5186  379.136   7.0400 17.83972 10.30002 
1 1 1   13   27   11 o   99.539   11.508   34.824   7.7822   26.557   11.801   41.186   10.352   85.591   20.240  107.983   14.195 -22.39214 24.72160 
1 1 1   13   27   12 f  607.745   7.7426  1280.15   32.568   0.0000   0.0000  1280.15   32.568  ?   ?   607.745   7.7426 0.000000 7.742610 
1 1 1   13   27   13 o  207.373   6.0750  149.016   8.7191  173.292   13.483  131.566   11.431  223.471   8.7174  194.731   8.4815 28.73993 12.16261 
1 1 1   13   27   14 o  294.194   5.1672  299.897   10.521  302.128   15.479  297.980   14.345  295.070   7.5794  293.090   7.0716 1.980255 10.36600 
1 1 1   13   27   15 o   52.292   16.601   9.4756   6.7495   16.982   10.818   4.6909   8.6367   68.834   20.884   46.775   18.329 22.05929 27.78644 
1 1 1   13   27   16 o  107.740   12.869   41.255   9.4062   38.757   11.267   47.000   17.087  103.573   16.253  112.405   22.745 -8.831703 27.95459 
1 1 1   13   27   17 o  100.884   10.687   36.014   7.3480   27.647   11.505   41.778   9.5493   86.075   19.734  108.208   13.012 -22.13316 23.63755 
1 1 1   13   27   18 o  107.495   10.226   40.877   7.5166   42.759   11.125   39.297   10.196  108.589   15.221  104.235   14.528 4.353745 21.04110 
1 1 1   13   27   19 o   53.575   18.165   9.9411   8.0281   10.628   10.813   9.0976   11.984   57.480   20.945   56.740   21.764 0.7399139 30.20561 
1 1 1   13   29    0 o  1391.03   9.7428  6699.55   93.798  6590.24  184.625  6737.58  108.899  1378.56   19.350  1394.84   11.280 -16.28052 22.39820 
1 1 1   13   29    1 o  603.143   5.5084  1259.10   22.994  1203.90   45.037  1278.56   26.742  589.624   11.036  607.769   6.3575 -18.14447 12.73642 
1 1 1   13   29    2 o  286.646   6.4757  284.407   12.847  318.585   23.991  270.665   15.212  303.307   11.428  279.620   7.8604 23.68680 13.87070 
1 1 1   13   29    3 o  550.593   5.3518  1049.25   20.394  1051.71   42.217  1048.50   23.293  551.094   11.068  550.383   6.1147 0.7106323 12.64507 
1 1 1   13   29    4 o  854.981   6.6529  2530.29   39.368  2479.51   78.515  2547.35   45.501  846.028   13.409  857.822   7.6638 -11.79407 15.44446 
1 1 1   13   29    5 f  348.507   7.4151  420.455   17.886   0.0000   0.0000  420.455   17.886  ?   ?   348.507   7.4151 0.000000 7.415088 
1 1 1   13   29    6 f  398.051   6.2269  548.458   17.155  563.105   20.882  518.049   30.087  403.306   7.4809  386.738   11.240 16.56815 13.50228 
1 1 1   13   29    7 o  1167.29   8.4166  4718.04   67.997  4657.51   95.191  4781.10   97.164  1159.44   11.862  1174.71   11.951 -15.27234 16.83860 
1 1 1   13   29    8 o  328.860   5.7573  374.380   13.104  392.244   23.066  365.866   15.923  336.506   9.9037  325.072   7.0775 11.43405 12.17272 
1 1 1   13   29    9 o  712.341   5.9758  1756.75   29.462  1835.06   43.535  1690.58   40.018  727.875   8.6418  698.659   8.2760 29.21545 11.96542 
1 1 1   13   29   10 o  302.308   5.4012  316.403   11.301  319.954   16.515  313.276   15.498  303.925   7.8511  300.751   7.4453 3.174469 10.81995 
1 1 1   13   29   11 o  107.442   10.606   40.430   7.7836   49.151   11.604   33.297   10.495  118.040   14.509   96.518   16.290 21.52217 21.81488 
1 1 1   13   29   12 f  394.246   5.6175  538.381   15.328  560.205   20.000  507.317   23.862  402.036   7.1877  382.419   9.0155 19.61685 11.53005 
1 1 1   13   29   13 o  385.458   5.0080  514.685   13.360  569.946   20.325  472.637   17.729  405.401   7.2437  369.206   6.9380 36.19415 10.03032 
1 1 1   13   29   14 o  172.972   7.1609  103.817   8.5727  121.171   15.644   96.370   10.248  186.000   12.221  166.290   8.9374 19.70943 15.13996 
1 1 1   13   29   15 o  194.638   6.0836  131.428   8.1954  130.736   12.854  131.903   10.638  193.766   9.5851  194.824   7.8891 -1.057144 12.41422 
1 1 1   13   29   16 o  116.857   8.8602   47.843   7.1127   45.764   11.272   49.219   9.1683  113.041   14.760  118.078   11.359 -5.036911 18.62484 
1 1 1   13   29   17 o   60.097   19.359   12.779   9.1536   12.334   10.607   14.078   18.119   60.556   20.871   70.151   26.796 -9.594334 33.96549 
1 1 1   13   29   18 o   90.390   12.666   29.418   7.7062   22.670   10.614   36.941   11.207   77.437   19.743  100.206   16.750 -22.76901 25.89148 
1 1 1   13   29   19 o  103.422   10.742   38.166   7.5770   39.967   11.432   36.755   10.118  103.869   16.451  100.047   15.081 3.822243 22.31761 
1 1 1   13   31    0 o  622.489   5.6488  1341.18   24.337  1321.46   48.327  1347.88   28.169  617.732   11.304  624.023   6.5222 -6.291260 13.05024 
1 1 1   13   31    1 o  1206.33   9.9837  5038.73   83.356   0.0000   0.0000  5038.73   83.356  ?   ?   1206.33   9.9837 0.000000 9.983716 
1 1 1   13   31    2 f  577.912   11.152  1156.58   44.607  1156.58   44.607   0.0000   0.0000  577.912   11.152  ?   ?  0.000000 11.15240 
1 1 1   13   31    3 o  401.740   6.0300  558.637   16.766  572.195   30.418  552.721   20.094  406.489   10.812  399.587   7.2658 6.901855 13.02668 
1 1 1   13   31    4 o  795.225   12.978  2190.73   71.427  2190.73   71.427   0.0000   0.0000  795.225   12.978  ?   ?  0.000000 12.97770 
1 1 1   13   31    5 o  504.026   5.2186  879.300   18.205  882.439   38.512  878.397   20.658  504.757   11.024  503.753   5.9252 1.003357 12.51541 
1 1 1   13   31    6 o  1222.80   8.7423  5177.58   73.988  4965.85  143.261  5254.59   86.403  1196.45   17.300  1231.73   10.135 -35.27405 20.05054 
1 1 1   13   31    7 o  790.532   9.0590  2164.33   49.565  2187.80   69.472  2140.00   70.738  794.515   12.634  785.751   13.007 8.763977 18.13284 
1 1 1   13   31    8 o  608.875   5.5757  1283.38   23.497  1278.17   33.600  1288.36   32.870  607.528   7.9910  609.954   7.7862 -2.426025 11.15711 
1 1 1   13   31    9 o  560.160   7.5387  1086.70   29.227   0.0000   0.0000  1086.70   29.227  ?   ?   560.160   7.5387 0.000000 7.538744 
1 1 1   13   31   10 o  433.780   7.0955  651.743   21.303   0.0000   0.0000  651.743   21.303  ?   ?   433.780   7.0955 0.000000 7.095547 
1 1 1   13   31   11 f  335.809   8.9631  391.024   20.832   0.0000   0.0000  391.024   20.832  ?   ?   335.809   8.9631 0.000000 8.963073 
1 1 1   13   31   12 o  304.378   6.9166  321.135   14.571   0.0000   0.0000  321.135   14.571  ?   ?   304.378   6.9166 0.000000 6.916642 
1 1 1   13   31   13 o  216.642   5.7459  162.659   8.6155  169.014   13.305  158.070   11.306  220.620   8.7134  213.442   7.6533 7.178665 11.59728 
1 1 1   13   31   14 o  231.025   5.9713  185.081   9.5477  169.122   15.945  194.001   11.921  220.371   10.454  236.407   7.2858 -16.03601 12.74274 
1 1 1   13   31   15 o  100.400   9.3978   35.411   6.4544   34.677   10.582   35.846   8.1450   97.946   16.174  100.567   11.935 -2.620483 20.10110 
1 1 1   13   31   16 o  185.716   6.0658  119.765   7.7967  141.861   12.204  104.528   10.134  201.753   8.7400  173.222   8.4531 28.53058 12.15909 
1 1 1   13   31   17 o  213.029   5.7946  157.662   8.5436  150.355   12.260  164.560   11.912  207.559   8.5344  217.270   7.9217 -9.710846 11.64428 
1 1 1   13   31   18 o   44.191   16.283   5.7347   6.5615   13.699   9.8394  -0.6437   8.8053   61.693   20.088   39.815   17.267 21.87783 26.48944 
1 1 1   13   33    0 o  854.177   7.8077  2525.81   46.158  2320.00   73.890  2657.52   59.110  818.371   13.045  876.077   9.7487 -57.70557 16.28550 
1 1 1   13   33    1 o  207.754   14.208  150.244   20.307  150.244   20.307   0.0000   0.0000  207.754   14.208  ?   ?  0.000000 14.20793 
1 1 1   13   33    2 o  1437.12   10.049  7151.69   99.956  7063.42  197.947  7181.90  115.805  1426.88   20.044  1440.00   11.620 -13.11707 23.16840 
1 1 1   13   33    3 o  192.489   10.639  128.710   14.119  122.488   20.579  134.244   19.407  187.293   16.030  196.298   14.385 -9.004898 21.53772 
1 1 1   13   33    4 o  446.999   5.3068  691.592   16.418  693.659   34.783  690.999   18.623  447.506   11.230  446.794   6.0223 0.7120361 12.74307 
1 1 1   13   33    5 o  344.300   5.9889  410.343   14.271  510.732   29.801  380.471   16.256  383.972   11.214  331.511   7.0851 52.46112 13.26457 
1 1 1   13   33    6 o  1055.82   9.0528  3860.67   66.153  3888.29  116.645  3847.57   80.320  1058.75   15.918  1053.84   11.012 4.912476 19.35609 
1 1 1   13   33    7 o  355.950   6.1777  438.635   15.219  459.415   29.328  430.977   17.804  364.093   11.638  352.801   7.2914 11.29291 13.73376 
1 1 1   13   33    8 o  648.807   5.7109  1457.33   25.645  1494.63   54.940  1446.94   28.998  656.582   12.090  646.451   6.4811 10.13129 13.71762 
1 1 1   13   33    9 o  541.022   6.2999  1013.57   23.590  1070.24   44.814  991.842   27.745  555.515   11.656  535.122   7.4913 20.39331 13.85560 
1 1 1   13   33   10 o  138.511   8.5696   66.751   8.1749   78.054   12.798   58.961   10.625  149.416   12.490  129.783   11.963 19.63309 17.29532 
1 1 1   13   33   11 o  127.563   10.015   56.824   8.7711   84.878   19.593   49.792   9.8090  154.727   18.673  119.092   12.067 35.63551 22.23284 
1 1 1   13   33   12 o  434.916   5.8686  655.455   17.665  684.878   34.487  644.989   20.568  443.775   11.228  431.319   6.8901 12.45584 13.17367 
1 1 1   13   33   13 o  253.808   6.9329  223.464   12.179   0.0000   0.0000  223.464   12.179  ?   ?   253.808   6.9329 0.000000 6.932861 
1 1 1   13   33   14 f  117.209   9.4821   48.121   7.6262   43.034   19.369   49.054   8.2963  107.131   26.313  118.231   10.240 -11.09917 28.23550 
1 1 1   13   33   15 o  114.534   9.9955   46.099   7.8440   0.0000   0.0000   46.099   7.8440  ?   ?   114.534   9.9955 0.000000 9.995487 
1 1 1   13   33   16 o   57.503   16.476   12.046   6.8942   35.395   16.789   7.3100   7.5610   96.371   24.969   48.850   17.555 47.52050 30.52282 
1 1 1   13   33   17 o  114.482   8.6873   46.041   6.8321   32.192   10.332   56.799   9.1071   93.595   16.556  126.829   10.468 -33.23417 19.58820 
1 1 1   13   33   18 o  151.032   7.1022   79.579   7.4240   89.374   11.525   72.631   9.7062  158.962   10.535  143.439   9.8364 15.52321 14.41310 
1 1 1   13   35    0 o  160.314   9.7292   89.324   10.744   67.659   18.543  100.273   13.182  138.222   19.962  169.775   11.283 -31.55371 22.93009 
1 1 1   13   35    1 o  653.049   6.7043  1476.30   30.302  1440.98   52.205  1494.25   37.213  644.981   11.695  656.956   8.1843 -11.97498 14.27405 
1 1 1   13   35    2 o  470.228   10.972  765.854   35.707  765.854   35.707   0.0000   0.0000  470.228   10.972  ?   ?  0.000000 10.97167 
1 1 1   13   35    3 o  1239.08   10.283  5317.46   88.182  5234.15  150.809  5360.74  108.702  1228.34   17.739  1243.85   12.627 -15.51440 21.77406 
1 1 1   13   35    4 o  1085.41   7.9897  4079.12   60.020  3974.15  118.143  4115.64   69.683  1070.48   15.946  1090.16   9.2355 -19.66992 18.42733 
1 1 1   13   35    5 o  232.712   6.6617  187.484   10.729  157.610   24.473  194.593   11.938  212.473   16.778  237.073   7.2757 -24.60022 18.28792 
1 1 1   13   35    6 o  254.280   6.1861  223.845   10.887  190.732   25.359  231.327   12.054  233.933   15.755  258.485   6.7380 -24.55177 17.13490 
1 1 1   13   35    7 o  620.115   6.5869  1331.45   28.270  1291.22   49.848  1350.52   34.324  610.315   11.801  624.466   7.9418 -14.15063 14.22431 
1 1 1   13   35    8 o  323.114   6.6045  361.528   14.770  327.756   27.813  374.792   17.430  307.360   13.074  328.951   7.6559 -21.59131 15.15107 
1 1 1   13   35    9 o  269.694   9.4381  252.139   17.617  241.122   24.442  264.049   25.414  263.160   13.465  275.754   13.316 -12.59433 18.93742 
1 1 1   13   35   10 o  366.418   4.9470  464.921   12.546  445.854   28.874  469.359   13.929  358.303   11.643  368.136   5.4669 -9.833160 12.86292 
1 1 1   13   35   11 o  490.470   5.9914  833.515   20.338  878.049   38.767  816.602   23.890  502.632   11.144  485.345   7.1120 17.28769 13.21981 
1 1 1   13   35   12 o  273.374   5.1634  258.925   9.7694  248.036   14.589  267.778   13.154  267.353   7.8841  277.884   6.8396 -10.53073 10.43741 
1 1 1   13   35   13 o  133.007   7.2673   61.583   6.6646   67.190   10.732   58.064   8.5031  138.394   11.303  128.848   9.6040 9.546341 14.83204 
1 1 1   13   35   14 o  182.371   5.7558  115.363   7.2650  130.259   11.806  106.285   9.2167  193.485   8.8162  174.896   7.6141 18.58902 11.64907 
1 1 1   13   35   15 o   47.848   14.750   8.0755   5.3693   15.286   8.9901   4.0776   6.6944   64.770   18.890   41.875   16.212 22.89459 24.89275 
1 1 1   13   35   16 o  207.629   5.8133  149.735   8.3538  150.497   11.824  148.976   11.804  207.774   8.2224  206.716   8.2506 1.058105 11.64819 
1 1 1   13   35   17 o   82.723   10.715   24.431   5.9907   15.557   9.5132   30.262   7.7118   64.900   19.560   91.764   12.465 -26.86378 23.19439 
1 1 1   13   35   18 o  183.124   7.1319  117.090   9.0392   84.488   21.097  124.420   10.004  149.452   20.974  188.640   7.6623 -39.18811 22.32966 
1 1 1   13   37    0 o  797.491   6.4365  2201.63   35.527  2098.75   48.041  2325.78   52.776  778.516   8.9160  819.519   9.3047 -41.00372 12.88694 
1 1 1   13   37    1 o  893.165   8.0710  2762.12   49.893  2547.32   80.146  2898.04   63.753  857.320   13.507  914.740   10.070 -57.42047 16.84764 
1 1 1   13   37    2 f  308.869   6.1295  330.244   13.103  328.146   26.050  330.955   15.161  307.739   12.231  309.185   7.0847 -1.445251 14.13433 
1 1 1   13   37    3 o  661.734   6.8942  1516.01   31.575  1456.58   54.442  1546.13   38.760  648.343   12.133  668.207   8.3810 -19.86371 14.74594 
1 1 1   13   37    4 o  162.102   9.3363   91.313   10.430   72.732   22.729   96.270   11.739  142.681   23.858  166.390   10.244 -23.70915 25.96449 
1 1 1   13   37    5 o  685.767   6.8708  1628.26   32.611   0.0000   0.0000  1628.26   32.611  ?   ?   685.767   6.8708 0.000000 6.870810 
1 1 1   13   37    6 o  834.692   6.6533  2412.33   38.436  2308.29   75.782  2448.36   44.598  815.814   13.421  840.828   7.6636 -25.01404 15.45532 
1 1 1   13   37    7 o  323.294   6.4464  361.913   14.424  382.585   27.962  354.417   16.837  332.142   12.164  319.891   7.6049 12.25128 14.34556 
1 1 1   13   37    8 o  479.207   6.1171  795.223   20.288  806.341   37.726  790.699   24.064  482.148   11.305  477.774   7.2773 4.373932 13.44509 
1 1 1   13   37    9 o  107.055   10.726   40.165   7.8403   25.288   19.149   43.162   8.5936   86.072   28.024  110.934   11.353 -24.86213 30.23656 
1 1 1   13   37   10 o  421.515   5.9099  615.532   17.241  585.854   32.792  626.871   20.269  410.593   11.539  425.296   6.8860 -14.70297 13.43771 
1 1 1   13   37   11 o  312.955   5.9216  339.406   12.826  385.415   26.552  325.402   14.649  332.843   11.526  306.353   6.9087 26.48941 13.43793 
1 1 1   13   37   12 o  248.050   6.5744  213.387   11.287   0.0000   0.0000  213.387   11.287  ?   ?   248.050   6.5744 0.000000 6.574427 
1 1 1   13   37   13 o  221.954   4.7580  170.721   7.3091  193.805   21.893  167.825   7.7539  234.936   13.521  220.041   5.0914 14.89519 14.44831 
1 1 1   13   37   14 o   81.966   9.0755   23.679   5.0621   24.918   8.7745   23.061   6.1974   82.725   15.903   80.443   11.455 2.282280 19.59898 
1 1 1   13   37   15 o   41.808   13.665   5.9401   4.5517   2.7061   8.0425   7.4640   5.5209   42.565   17.341   46.542   15.039 -3.977348 22.95373 
1 1 1   13   37   16 o  126.164   6.6078   55.518   5.7498   55.220   10.598   55.642   6.8448  124.591   12.457  126.097   7.8825 -1.506065 14.74170 
1 1 1   13   37   17 o   65.071   10.525   15.253   4.5782   21.416   7.9491   12.195   5.6002   76.017   15.631   57.404   14.179 18.61359 21.10384 
1 1 1   13   39    0 o  461.984   6.1335  738.848   19.611  710.236   23.532  803.903   35.484  452.910   7.5071  481.721   10.643 -28.81058 13.02409 
1 1 1   13   39    1 o  364.233   6.5515  459.288   16.516  443.073   29.086  467.004   20.064  357.582   11.753  367.246   7.8937 -9.663269 14.15743 
1 1 1   13   39    2 o  247.816   6.9371  212.625   11.898  204.976   23.733  215.193   13.751  242.720   14.189  249.289   7.9701 -6.569290 16.27452 
1 1 1   13   39    3 o  517.471   5.6564  926.970   20.258  847.317   39.084  956.231   23.689  494.483   11.420  525.546   6.5126 -31.06296 13.14662 
1 1 1   13   39    5 f  210.609   7.5176  153.608   10.958  164.634   24.984  150.982   12.194  217.087   16.758  208.782   8.4384 8.305725 18.76278 
1 1 1   13   39    6 o  126.702   11.091   56.079   9.6284   56.146   22.478   56.063   10.655  124.370   26.896  126.545   12.322 -2.175102 29.58480 
1 1 1   13   39    7 o  300.367   5.7671  312.398   11.989  279.561   25.667  321.562   13.559  283.793   13.068  304.718   6.4292 -20.92493 14.56360 
1 1 1   13   39    8 o   98.231   15.491   34.381   10.183   84.098   19.081   14.585   12.041  154.258   18.224   66.510   22.247 87.74769 28.75860 
1 1 1   13   39    9 o  290.879   5.2900  293.042   10.650  312.439   25.202  288.825   11.751  299.826   12.145  288.751   5.8798 11.07526 13.49305 
1 1 1   13   39   10 o  352.130   6.1046  429.687   14.878  393.805   28.345  443.331   17.479  336.418   12.174  357.594   7.0623 -21.17569 14.07388 
1 1 1   13   39   11 o  391.954   6.7824  532.763   18.399   0.0000   0.0000  532.763   18.399  ?   ?   391.954   6.7824 0.000000 6.782355 
1 1 1   13   39   12 o  108.387   7.1728   40.949   5.3503   43.576   18.367   40.706   5.5928  108.259   25.015  108.023   7.5277 0.2358475 26.12329 
1 1 1   13   39   13 o  157.500   5.1666   86.004   5.6320   87.463   19.149   85.866   5.8926  156.253   18.038  157.360   5.4105 -1.106689 18.83231 
1 1 1   13   39   14 o  111.174   6.7712   43.097   5.1853   48.780   17.203   42.529   5.4382  114.486   22.513  110.387   7.1566 4.098267 23.62270 
1 1 1   13   39   15 o   38.617   17.940  -9.4813   11.540   1.7673   15.567 -23.2049   17.195   55.078   23.404   42.230   20.277 12.84755 30.96626 
1 1 1   13   39   16 o   92.346   26.018   33.098   17.341   33.098   17.341   0.0000   0.0000   92.346   26.018  ?   ?  0.000000 26.01806 
1 1 1   13   39   17 o  113.396   26.100   51.073   20.060   0.0000   0.0000   51.073   20.060  ?   ?   113.396   26.100 0.000000 26.10037 
1 1 1   13   41    0 o  363.766   7.5893  458.213   19.107  458.213   19.107   0.0000   0.0000  363.766   7.5893  ?   ?  0.000000 7.589260 
1 1 1   13   41    1 o  279.904   6.0324  271.233   11.686  260.715   15.877  283.668   17.264  274.372   8.3610  286.185   8.7159 -11.81320 12.07776 
1 1 1   13   41    2 o  461.074   6.3586  736.026   20.291  668.781   34.424  771.831   25.119  439.282   11.323  472.104   7.6876 -32.82175 13.68568 
1 1 1   13   41    3 o  499.692   7.8573  864.738   27.174   0.0000   0.0000  864.738   27.174  ?   ?   499.692   7.8573 0.000000 7.857302 
1 1 1   13   41    4 o  302.824   9.6937  317.749   20.317   0.0000   0.0000  317.749   20.317  ?   ?   302.824   9.6937 0.000000 9.693721 
1 1 1   13   41    5 o  296.757   6.1989  304.934   12.732  294.049   26.739  308.126   14.479  291.102   13.272  298.281   7.0133 -7.178894 15.01069 
1 1 1   13   41    6 o  558.321   5.6609  1079.37   21.875  1010.73   43.951  1101.97   25.221  539.750   11.765  564.086   6.4600 -24.33582 13.42217 
1 1 1   13   41    7 o  472.705   5.4661  773.787   17.883  785.366   38.237  770.545   20.232  475.663   11.615  471.668   6.1978 3.994629 13.16475 
1 1 1   13   41    8 o  104.067   12.806   38.212   9.0289   57.122   20.101   33.433   10.106  125.443   24.027   96.755   15.623 28.68832 28.65981 
1 1 1   13   41    9 o  223.049   5.9173  172.378   9.1349  169.512   22.576  172.939   9.9892  219.970   14.917  223.385   6.4610 -3.415710 16.25607 
1 1 1   13   41   10 f  233.370   5.8505  188.745   9.4496   0.0000   0.0000  188.745   9.4496  ?   ?   233.370   5.8505 0.000000 5.850474 
1 1 1   13   41   11 o  124.275   10.087   54.079   8.6014   49.024   18.592   55.455   9.7022  115.272   24.080  125.676   11.274 -10.40406 26.58875 
1 1 1   13   41   12 o  257.990   4.7035  230.656   8.3985  240.634   22.994  229.120   9.0218  262.359   12.663  257.100   5.0701 5.258636 13.64051 
1 1 1   13   41   13 o  111.400   5.7157   43.167   4.3920   47.434   18.197   42.903   4.5258  112.614   24.076  111.038   5.9104 1.575623 24.79128 
1 1 1   13   41   14 o   55.476   23.695   1.0517   16.106   1.0517   16.106   0.0000   0.0000   55.476   23.695  ?   ?  0.000000 23.69473 
1 1 1   13   41   15 o  207.931   10.253  151.437   14.755  150.244   19.661  152.976   22.325  205.644   13.895  206.772   15.718 -1.127975 20.97918 
1 1 1   13   41   16 o   66.094   23.660   14.668   13.721   6.5024   18.526   24.590   20.421   62.635   25.998   82.091   28.919 -19.45603 38.88758 
1 1 1   13   43    0 o  304.069   8.6760  320.277   18.259   0.0000   0.0000  320.277   18.259  ?   ?   304.069   8.6760 0.000000 8.676027 
1 1 1   13   43    1 o  657.423   5.8922  1496.38   26.810  1469.27   37.207  1525.65   38.665  651.294   8.2542  663.660   8.4177 -12.36646 11.78937 
1 1 1   13   43    2 o  426.128   7.7851  628.927   22.961   0.0000   0.0000  628.927   22.961  ?   ?   426.128   7.7851 0.000000 7.785124 
1 1 1   13   43    3 o  252.761   7.0164  221.256   12.274  151.805   23.468  247.408   14.401  208.379   16.405  267.259   7.7856 -58.87999 18.15872 
1 1 1   13   43    4 o  599.049   11.972  1244.88   49.637  1244.88   49.637   0.0000   0.0000  599.049   11.972  ?   ?  0.000000 11.97187 
1 1 1   13   43    5 o  455.196   6.7849  717.692   21.376  686.829   36.538  733.750   26.356  444.886   11.866  460.158   8.2756 -15.27261 14.46716 
1 1 1   13   43    6 o  269.662   7.9138  252.015   14.770  220.634   25.222  268.393   18.221  251.460   14.554  278.199   9.4634 -26.73871 17.36043 
1 1 1   13   43    7 o  255.793   6.2172  226.675   11.007  212.439   23.288  230.770   12.490  246.735   13.691  258.056   6.9931 -11.32065 15.37340 
1 1 1   13   43    8 o  452.198   5.2399  708.296   16.399  705.854   35.541  708.956   18.485  450.626   11.396  452.352   5.9042 -1.725586 12.83433 
1 1 1   13   43    9 o  170.339   7.0509  100.616   8.3126   89.561   21.495  102.560   9.0139  158.370   20.060  171.950   7.5742 -13.58005 21.44270 
1 1 1   13   43   10 o  172.926   6.4606  103.697   7.7324   96.976   20.208  104.850   8.3693  165.158   17.969  173.856   6.9554 -8.698776 19.26801 
1 1 1   13   43   11 o  246.443   6.4206  210.690   10.951  228.537   22.550  205.182   12.528  255.750   12.739  243.097   7.4461 12.65263 14.75588 
1 1 1   13   43   12 o   74.596   9.6608   19.702   4.8706   42.629   17.480   17.773   5.0715  106.787   24.210   70.594   10.716 36.19233 26.47534 
1 1 1   13   43   13 o  113.753   23.428   48.429   17.831   48.429   17.831   0.0000   0.0000  113.753   23.428  ?   ?  0.000000 23.42847 
1 1 1   13   43   14 o  174.764   10.939  107.423   13.164  103.951   18.705  110.829   18.531  170.336   16.056  176.176   15.351 -5.840363 22.21324 
1 1 1   13   43   15 o   42.438   19.303  -6.5019   12.418 -16.8634   16.169   8.4000   19.391   43.214   20.439   65.660   26.857 -22.44585 33.75022 
1 1 1   13   43   16 o   90.491   21.147   31.429   13.006   18.478   18.213   44.907   18.579   73.650   27.130  106.632   25.516 -32.98125 37.24389 
1 1 1   13   45    0 o  153.772   9.2756   82.244   9.8256   77.564   13.474   87.560   14.360  148.913   13.210  158.286   13.229 -9.372955 18.69533 
1 1 1   13   45    1 o  466.629   7.8565  754.312   25.373   0.0000   0.0000  754.312   25.373  ?   ?   466.629   7.8565 0.000000 7.856487 
1 1 1   13   45    2 o  315.570   5.7918  344.827   12.650  331.024   17.211  361.043   18.655  309.102   8.0451  322.799   8.3501 -13.69711 11.59513 
1 1 1   13   45    3 o  244.052   7.9039  206.369   13.351  195.658   23.852  211.255   16.111  236.836   14.623  246.860   9.4295 -10.02344 17.39923 
1 1 1   13   45    4 o   60.850   20.069   12.331   9.8088   25.415   19.480   7.8879   11.353   86.495   28.271   56.167   21.269 30.32815 35.37827 
1 1 1   13   45    5 f  302.202   6.3087  316.359   13.195  238.976   26.889  340.905   15.144  261.631   14.911  313.672   6.9757 -52.04031 16.46228 
1 1 1   13   45    6 o  196.531   17.853  136.000   24.019  136.000   24.019   0.0000   0.0000  196.531   17.853  ?   ?  0.000000 17.85334 
1 1 1   13   45    7 o  266.827   6.1940  246.709   11.439  201.463   24.121  259.837   12.993  239.964   14.593  273.793   6.8565 -33.82935 16.12323 
1 1 1   13   45    8 o  206.495   8.8763  148.031   12.686  110.439   21.886  167.050   15.568  176.569   18.169  219.242   10.259 -42.67303 20.86524 
1 1 1   13   45    9 o  210.624   8.2363  154.019   12.007   0.0000   0.0000  154.019   12.007  ?   ?   210.624   8.2363 0.000000 8.236346 
1 1 1   13   45   10 o  382.931   5.0386  508.176   13.354  475.707   28.789  517.077   15.074  369.434   11.259  386.200   5.6394 -16.76544 12.59250 
1 1 1   13   45   11 o   33.427   15.181  -4.4505   7.6438   14.102   16.339  -9.6489   8.6487   69.351   25.668   31.814   15.017 37.53769 29.73832 
1 1 1   13   45   12 o  339.147   4.6560  398.733   10.929  392.927   26.753  399.896   11.973  335.169   11.533  339.583   5.0944 -4.413696 12.60790 
1 1 1   13   45   13 o  131.998   13.670   62.002   12.307   63.463   17.253   60.488   17.562  131.758   19.509  128.237   20.476 3.520905 28.28208 
1 1 1   13   45   14 o  133.803   14.018   64.007   12.789   42.659   17.379   89.220   18.887  105.574   24.290  156.854   17.707 -51.27988 30.05913 
1 1 1   13   45   15 o  116.753   25.494   53.122   20.024   0.0000   0.0000   53.122   20.024  ?   ?   116.753   25.494 0.000000 25.49429 
1 1 1   13   47    0 o  638.209   6.7894  1410.96   29.990  1392.17   35.926  1454.15   54.467  633.799   8.1899  647.178   12.160 -13.37878 14.66091 
1 1 1   13   47    1 o  129.180   11.893   58.419   10.514   58.585   15.497   58.276   14.312  128.438   17.921  128.342   16.495 0.9591675E-01 24.35638 
1 1 1   13   47    2 o  246.491   6.4441  210.462   10.994  220.053   15.097  199.636   16.040  251.945   8.6579  239.921   9.6596 12.02435 12.97184 
1 1 1   13   47    3 o  424.905   5.7260  625.308   16.839  556.585   31.613  652.531   19.897  400.380   11.408  433.995   6.6240 -33.61411 13.19174 
1 1 1   13   47    4 o  380.611   5.8040  501.789   15.289  454.780   29.441  519.148   17.891  361.811   11.757  387.078   6.6780 -25.26733 13.52125 
1 1 1   13   47    5 o   92.935   18.414   31.245   11.425   37.273   22.132   29.054   13.340  101.369   29.659   89.211   21.793 12.15729 36.80489 
1 1 1   13   47    6 o  215.971   9.4009  161.926   14.052  167.073   24.526  159.410   17.146  218.081   16.368  213.796   11.631 4.285400 20.07989 
1 1 1   13   47    7 o  378.966   5.5086  497.612   14.448  462.634   29.906  508.262   16.502  364.581   11.852  382.934   6.2263 -18.35349 13.38783 
1 1 1   13   47    8 o  314.353   6.2182  342.596   13.529   0.0000   0.0000  342.596   13.529  ?   ?   314.353   6.2182 0.000000 6.218177 
1 1 1   13   47    9 o  259.744   6.5206  234.025   11.722  237.219   23.878  233.010   13.455  260.215   13.303  259.082   7.5037 1.132904 15.27317 
1 1 1   13   47   10 o  245.123   5.5085  208.339   9.3453  168.488   21.951  217.161   10.328  218.681   14.587  250.217   5.9638 -31.53537 15.75913 
1 1 1   13   47   11 f  207.764   5.4308  149.716   7.8093  136.585   19.506  152.222   8.5221  196.602   14.436  209.456   5.8786 -12.85320 15.58696 
1 1 1   13   47   12 f  103.086   7.4584   37.150   5.2855   68.585   17.547   34.014   5.5429  137.397   18.957   98.506   8.2048 38.89158 20.65646 
1 1 1   13   47   13 o   83.881   21.776   26.524   12.753   40.361   17.837   12.054   18.241  102.599   25.283   68.242   26.666 34.35702 36.74634 
1 1 1   13   47   14 o   63.525   25.885   8.0000   17.926   0.0000   0.0000   8.0000   17.926  ?   ?    63.525   25.885 0.000000 25.88517 
1 1 1   13   47   15 o  152.767   13.777   83.820   14.411   79.415   20.472   88.146   20.289  145.300   20.963  154.009   19.469 -8.709534 28.60944 
1 1 1   13   49    0 o  276.321   6.9762  264.592   13.342  257.073   20.967  269.707   17.295  272.076   11.135  278.854   8.9610 -6.778320 14.29268 
1 1 1   13   49    1 f  102.017   13.191   36.791   9.0959   42.907   12.266   29.318   13.558  109.694   16.682   89.662   22.011 20.03181 27.61804 
1 1 1   13   49    2 o  554.911   5.6068  1066.61   21.534  1046.83   29.736  1088.42   31.225  549.496   7.8188  560.275   8.0524 -10.77869 11.22383 
1 1 1   13   49    3 o  243.589   6.3293  205.598   10.671  194.181   14.454  219.275   15.820  236.585   8.8272  251.389   9.0922 -14.80373 12.67233 
1 1 1   13   49    4 o  486.424   7.7555  820.509   26.110  754.634   37.140  884.878   36.713  465.904   11.518  504.704   10.510 -38.79993 15.59235 
1 1 1   13   49    5 o  295.978   6.4517  303.638   13.216  319.805   27.854  298.941   15.014  302.976   13.283  293.607   7.3885 9.368927 15.19963 
1 1 1   13   49    6 o  214.401   9.4592  159.684   14.036  201.366   23.114  135.331   17.667  239.823   13.986  196.613   13.057 43.20941 19.13368 
1 1 1   13   49    7 o  227.749   7.7384  180.019   12.198   0.0000   0.0000  180.019   12.198  ?   ?   227.749   7.7384 0.000000 7.738403 
1 1 1   13   49    8 o  287.364   5.7512  286.289   11.439  275.951   24.439  289.189   12.944  281.161   12.559  288.745   6.4769 -7.584076 14.13087 
1 1 1   13   49    9 o  246.605   5.9446  210.925   10.146  215.756   22.600  209.706   11.355  247.976   13.216  245.819   6.6739 2.156754 14.80534 
1 1 1   13   49   10 o  328.905   5.1823  375.104   11.797  400.390   27.236  369.264   13.088  338.458   11.627  326.254   5.7963 12.20435 12.99170 
1 1 1   13   49   11 o  151.396   7.2677   79.681   7.6153   84.195   18.822   78.798   8.3273  152.837   18.148  150.267   8.0360 2.569916 19.84757 
1 1 1   13   49   12 o   49.923   13.790   9.0615   4.9225  -9.6098   16.447   10.899   5.1590   48.124   22.015   54.552   13.687 -6.428238 25.92231 
1 1 1   13   49   13 o   80.004   22.012   24.201   12.571   3.8649   17.720   44.805   17.836   59.790   25.164  108.077   24.420 -48.28793 35.06540 
1 1 1   13   49   14 o   80.261   22.157   24.662   12.712   24.956   18.511   24.400   17.488   81.627   27.583   80.586   26.807 1.040672 38.46344 
1 1 1   13   51    0 o  259.294   6.2570  232.985   11.229  224.508   15.221  243.106   16.632  254.375   8.6457  264.665   9.0797 -10.29070 12.53753 
1 1 1   13   51    1 o  620.742   6.7414  1335.58   28.963  1328.99   34.872  1350.24   52.003  618.980   8.1400  623.036   12.060 -4.055847 14.54974 
1 1 1   13   51    2 o  254.022   6.2532  223.622   10.994  212.255   14.671  238.180   16.603  247.326   8.5707  261.945   9.1581 -14.61877 12.54298 
1 1 1   13   51    3 o  413.914   5.4148  593.555   15.512  579.234   21.235  609.940   22.714  408.676   7.5076  419.328   7.8264 -10.65253 10.84509 
1 1 1   13   51    4 o  258.763   7.1128  232.204   12.739  236.293   24.619  230.709   14.886  259.931   13.733  257.827   8.3423 2.104126 16.06852 
1 1 1   13   51    5 o  189.393   8.4722  124.535   11.105  121.268   22.591  125.576   12.753  185.035   17.862  189.837   9.7390 -4.802277 20.34463 
1 1 1   13   51    6 o  225.229   7.3280  176.024   11.423  137.951   24.142  187.007   12.967  197.305   17.873  232.083   8.0724 -34.77715 19.61123 
1 1 1   13   51    7 o  109.665   21.001   43.986   15.359   0.0000   0.0000   43.986   15.359  ?   ?   109.665   21.001 0.000000 21.00059 
1 1 1   13   51    8 o  251.831   6.4419  220.048   11.228  214.195   24.049  221.680   12.697  246.827   14.136  252.673   7.2603 -5.845367 15.89161 
1 1 1   13   51    9 o  183.303   7.0941  116.703   9.0000  118.927   20.024  116.141   10.075  183.026   15.967  182.774   7.9645 0.2527924 17.84327 
1 1 1   13   51   10 o   80.449   16.256   23.675   8.7396   34.317   18.493   20.615   9.9169   95.283   26.877   74.638   19.114 20.64437 32.98014 
1 1 1   13   51   11 o   28.024   12.958  -4.7471   5.9151   3.6078   17.799  -5.7843   6.2716   60.113   25.256   28.139   13.123 31.97402 28.46221 
1 1 1   13   51   12 o  107.100   7.9172   40.192   5.8271   44.259   20.010   39.815   6.0911  106.737   27.052  106.524   8.3279 0.2131042 28.30474 
1 1 1   13   51   13 o   35.321   17.009 -17.5441   12.311 -42.5415   17.481   7.0585   17.342   35.627   17.750   61.808   25.354 -26.18074 30.94986 
1 1 1   13   51   14 o   55.386   22.489   6.2510   13.472   17.180   19.237  -4.2693   18.873   72.808   27.659   54.508   24.381 18.29959 36.87067 
1 1 1   13   53    0 o  119.054   11.079   49.724   9.0239   49.436   12.206   50.071   13.401  117.982   15.309  118.443   16.820 -0.4617920 22.74343 
1 1 1   13   53    1 o  312.267   5.7316  337.916   12.387  319.937   16.668  360.100   18.514  303.650   7.9310  322.105   8.3049 -18.45450 11.48355 
1 1 1   13   53    2 o  230.024   6.6448  183.460   10.579  171.037   13.914  200.477   16.285  221.914   9.0594  240.181   9.7966 -18.26736 13.34338 
1 1 1   13   53    3 o  118.720   13.891   49.863   11.198   43.185   20.555   52.682   13.353  107.804   27.470  121.599   16.275 -13.79493 31.92948 
1 1 1   13   53    4 o  332.426   6.1776  383.140   14.213  388.439   27.401  381.190   16.625  333.871   11.858  331.461   7.2468 2.410522 13.89707 
1 1 1   13   53    5 o  117.309   13.370   48.683   10.661   31.976   19.511   55.795   12.730   93.463   27.977  125.368   14.967 -31.90503 31.72870 
1 1 1   13   53    6 o  256.277   6.7228  227.888   11.924  191.854   24.707  238.830   13.615  233.349   15.385  262.272   7.5006 -28.92343 17.11562 
1 1 1   13   53    7 o  112.565   14.226   45.104   10.836   29.771   21.764   50.158   12.494   91.210   29.885  118.476   15.618 -27.26581 33.72020 
1 1 1   13   53    8 o  259.418   6.3396  233.578   11.382  236.488   25.177  232.831   12.761  259.159   14.090  258.903   7.1215 0.2568359 15.78722 
1 1 1   13   53    9 o  142.179   8.7957   70.671   8.6128   69.707   19.108   70.917   9.6485  138.144   20.616  142.243   9.8615 -4.098633 22.85301 
1 1 1   13   53   10 o   98.159   12.504   34.361   8.3018   44.146   18.533   31.905   9.2856  107.706   25.293   93.981   14.762 13.72425 29.28568 
1 1 1   13   53   11 f   30.709   13.886  -3.2830   6.3126 -13.3707   19.692  -2.1275   6.6643   51.221   23.669   33.001   14.641 18.22041 27.83122 
1 1 1   13   53   12 o   39.993   14.842   4.4953   5.4703   0.0000   0.0000   4.4953   5.4703  ?   ?    39.993   14.842 0.000000 14.84226 
1 1 1   13   53   13 o   82.674   22.556   26.385   13.265  -0.9502   18.795   53.512   18.724   56.872   24.934  117.562   23.827 -60.68988 34.48877 
1 1 1   13   55    0 o  317.906   5.7386  350.320   12.626  328.443   17.261  375.502   18.518  307.566   8.1086  328.859   8.1361 -21.29306 11.48674 
1 1 1   13   55    1 o  228.167   6.6616  180.564   10.520  176.738   14.315  185.057   15.511  225.508   9.1718  230.694   9.7148 -5.185883 13.36038 
1 1 1   13   55    2 o  238.888   7.1586  198.016   11.836  189.429   14.200  217.561   21.422  233.492   8.7870  249.732   12.394 -16.24043 15.19295 
1 1 1   13   55    3 o  285.442   6.7420  282.659   13.319  280.865   15.675  287.317   25.261  284.395   7.9637  286.872   12.723 -2.477386 15.00991 
1 1 1   13   55    4 o  228.701   6.2919  181.420   9.9593  189.590   13.639  172.087   14.577  233.581   8.4366  222.418   9.4693 11.16295 12.68241 
1 1 1   13   55    5 o  261.694   7.7644  237.890   14.063   0.0000   0.0000  237.890   14.063  ?   ?   261.694   7.7644 0.000000 7.764415 
1 1 1   13   55    6 o  209.163   7.6080  151.997   11.014  149.610   23.322  152.683   12.495  205.379   16.548  209.517   8.6165 -4.137726 18.65666 
1 1 1   13   55    7 o   61.305   19.431   13.223   9.2504 -15.4829   20.443   20.614   10.373   51.829   24.008   74.746   19.753 -22.91680 31.08999 
1 1 1   13   55    8 o   60.913   21.656   11.774   11.477  -7.4537   17.604   25.988   15.136   51.734   23.310   83.633   24.544 -31.89967 33.84959 
1 1 1   13   55    9 o  317.455   5.6591  349.813   12.434  335.220   26.608  353.891   14.064  308.962   12.443  319.170   6.3665 -10.20834 13.97721 
1 1 1   13   55   10 o   81.275   13.934   23.955   7.5558   36.532   19.372   21.699   8.2056   97.297   27.531   76.791   15.960 20.50555 31.82250 
1 1 1   13   55   11 o   27.374   13.027  -8.3870   6.7643   0.0000   0.0000  -8.3870   6.7643  ?   ?    27.374   13.027 0.000000 13.02660 
1 1 1   13   55   12 o   47.117   18.348   5.4161   8.6128   22.829   19.905   1.4051   9.5534   79.736   28.502   43.688   18.437 36.04800 33.94535 
1 1 1   13   57    0 o  126.887   10.521   56.459   9.1565   47.988   12.656   65.765   13.264  115.783   16.240  136.318   14.270 -20.53573 21.61889 
1 1 1   13   57    1 o   47.290   18.834   4.2096   9.2558   18.942   11.330 -25.3463   16.048   72.328   21.238   39.604   19.156 32.72329 28.60118 
1 1 1   13   57    2 o   47.994   18.217   5.8573   8.3408   4.5788   10.936   7.6356   12.897   50.805   20.390   57.628   22.449 -6.823204 30.32676 
1 1 1   13   57    3 o   67.004   19.582   16.233   9.6523   22.091   10.983  -3.6400   20.229   77.470   20.256   58.834   25.830 18.63550 32.82480 
1 1 1   13   57    4 o  167.037   8.7017   97.311   10.025   98.829   15.045   96.099   13.445  167.530   13.079  165.449   11.819 2.080902 17.62818 
1 1 1   13   57    5 o  194.558   8.0033  131.604   10.777  122.829   20.683  134.875   12.626  185.952   16.234  196.804   9.2698 -10.85234 18.69390 
1 1 1   13   57    6 o  157.872   10.278   87.332   11.169   91.366   21.652   85.869   13.038  158.808   20.152  156.154   12.159 2.654327 23.53648 
1 1 1   13   57    7 o   39.851   17.301  -1.0641   8.8585   2.5059   17.424  -2.3084   10.287   58.843   24.870   41.801   18.384 17.04143 30.92682 
1 1 1   13   57    8 o   50.202   19.502   5.9923   9.7121   48.741   19.511  -8.0900   11.198  113.149   25.522   38.909   17.933 74.24008 31.19262 
1 1 1   13   57    9 o  232.382   7.1747  187.920   11.539   0.0000   0.0000  187.920   11.539  ?   ?   232.382   7.1747 0.000000 7.174742 
1 1 1   13   57   10 o   61.415   17.023   13.937   7.4870   28.576   19.715   11.470   8.0933   87.010   28.441   56.828   18.193 30.18222 33.76173 
1 1 1   13   57   11 o   88.767   11.928   28.291   7.1425   38.415   19.944   26.802   7.6499   98.326   27.973   85.990   13.282 12.33602 30.96586 
1 1 1   13   59    0 o  208.963   7.8188  151.749   11.308  150.376   13.856  154.488   19.567  207.787   9.6349  209.530   13.566 -1.742752 16.63912 
1 1 1   13   59    1 o  337.307   6.7720  394.999   15.810  365.805   26.808  410.566   19.576  323.501   11.973  343.626   8.2312 -20.12595 14.52969 
1 1 1   13   59    2 o  206.182   10.458  148.644   14.875   0.0000   0.0000  148.644   14.875  ?   ?   206.182   10.458 0.000000 10.45833 
1 1 1   13   59    3 o  109.750   12.321   42.667   9.1974   44.790   13.739   40.942   12.381  110.965   18.543  106.272   17.438 4.692566 25.45452 
1 1 1   13   59    4 o  242.566   6.1550  204.225   10.333  216.980   14.276  190.187   14.976  249.728   8.2595  233.641   9.2614 16.08749 12.40936 
1 1 1   13   59    5 o  112.607   12.902   45.053   9.8736   39.712   18.973   47.036   11.563  102.231   26.570  114.601   14.933 -12.36994 30.47896 
1 1 1   13   59    6 o  228.673   7.2291  181.824   11.441  211.073   22.907  172.101   13.207  244.554   13.587  222.259   8.5853 22.29482 16.07231 
1 1 1   13   59    7 o  107.025   15.474   41.359   11.130   37.400   19.875   43.167   13.434   98.655   27.875  108.463   18.562 -9.807602 33.48997 
1 1 1   13   59    8 o  234.654   6.6779  191.487   10.845  201.902   23.235  188.586   12.263  238.530   14.137  232.698   7.6145 5.832367 16.05719 
1 1 1   13   59    9 o   32.422   15.046  -6.6396   8.0835   32.839   20.105 -14.2523   8.8285   92.165   28.564   29.147   14.126 63.01868 31.86604 
1 1 1   13   59   10 o   45.646   17.382   5.5416   7.6087 -34.5854   20.643   11.850   8.1850   43.133   21.060   57.423   18.286 -14.29012 27.89090 
1 1 1   13   61    0 o  116.118   11.472   47.601   9.0993   42.779   12.085   53.914   13.827  108.826   16.568  122.375   16.766 -13.54895 23.57102 
1 1 1   13   61    1 o   69.111   19.809   17.486   9.9636   7.4195   11.285   53.073   21.218   54.717   21.087  118.355   26.556 -63.63846 33.90962 
1 1 1   13   61    2 o   36.461   16.176  -2.6269   8.1344   0.6577   11.165  -6.3424   11.875   46.602   19.812   41.785   18.956 4.816360 27.42018 
1 1 1   13   61    3 o  111.789   11.117   44.128   8.4875   48.032   11.493   39.445   12.587  115.866   14.660  103.892   18.167 11.97392 23.34434 
1 1 1   13   61    4 o  107.150   26.626   43.863   19.659   0.0000   0.0000   43.863   19.659  ?   ?   107.150   26.626 0.000000 26.62568 
1 1 1   13   61    5 o   52.571   18.501   8.8306   8.3563   6.5668   11.560   11.308   12.093   53.864   21.175   60.752   22.148 -6.888573 30.64187 
1 1 1   13   61    6 o   69.291   20.727   17.638   10.712   27.380   18.737   12.908   13.056   85.869   27.701   63.806   23.051 22.06244 36.03749 
1 1 1   13   61    7 o   55.979   19.964   9.9936   9.7605   7.5561   18.617   10.918   11.462   64.278   26.307   59.269   21.569 5.009327 34.01889 
1 1 1   13   61    8 o   54.430   18.894   9.8457   8.6994   40.805   19.453   2.1063   9.7262  102.049   27.090   45.000   18.771 57.04912 32.95806 
1 1 1   13   61    9 o  111.967   19.228   46.789   14.364   0.0000   0.0000   46.789   14.364  ?   ?   111.967   19.228 0.000000 19.22802 
1 1 1   13   63    0 o  139.624   9.8389   68.405   9.4471   84.517   12.651   48.092   14.204  154.813   11.898  114.741   18.517 40.07201 22.00977 
1 1 1   13   63    1 o   57.566   18.837   11.491   8.6475   3.8203   11.469   21.598   13.164   50.489   20.654   76.516   22.998 -26.02629 30.91115 
1 1 1   13   63    2 o  101.271   15.876   37.162   10.762   5.9415   21.087   48.159   12.515   66.380   27.660  115.502   16.092 -49.12209 32.00072 
1 1 1   13   63    3 o   40.988   17.152   1.3471   8.1562   6.2143   11.141  -4.2746   11.973   52.743   20.771   43.512   19.444 9.230667 28.45173 
1 1 1   13   63    4 o   94.631   13.399   32.163   8.5305   44.744   11.633   17.526   12.547  111.315   15.521   69.928   22.680 41.38663 27.48258 
1 1 1   13   63    5 o  119.221   10.364   50.142   8.4668   46.105   11.471   54.975   12.550  113.087   15.028  123.662   14.968 -10.57545 21.20989 
1 1 1   13   63    6 o   99.117   13.976   35.434   9.3216   47.620   18.899   31.517   10.716  111.169   25.151   92.380   17.398 18.78861 30.58210 
1 1 1   13   63    7 o   64.550   18.955   15.433   9.0248   1.0722   18.256   20.078   10.382   58.012   25.010   73.020   19.969 -15.00848 32.00406 
1 1 1   13   63    8 o   90.839   16.978   30.641   10.282   0.0000   0.0000   30.641   10.282  ?   ?    90.839   16.978 0.000000 16.97801 
1 1 1   13   65    0 o  227.078   6.9397  179.376   10.907  169.182   14.691  191.896   16.281  219.997   9.6482  234.202   10.044 -14.20544 13.92722 
1 1 1   13   65    1 o   86.548   17.239   27.632   9.9637   1.3649   15.492   46.161   13.012   54.546   23.267  112.500   17.262 -57.95388 28.97138 
1 1 1   13   65    2 o   72.902   17.145   19.724   8.5054   10.402   11.869   29.564   12.194   59.055   21.873   88.753   20.293 -29.69788 29.83741 
1 1 1   13   65    3 o   93.189   14.103   31.388   8.8116   29.062   12.402   33.759   12.522   87.811   20.738   95.059   19.680 -7.247597 28.58971 
1 1 1   13   65    4 o  100.335   12.632   36.044   8.5773   36.120   11.623   35.955   12.710   98.968   17.615   98.157   19.396 0.8103104 26.20102 
1 1 1   13   65    5 o  137.639   11.068   67.026   10.454   75.287   12.158   43.590   20.478  145.601   12.176  105.094   27.745 40.50707 30.29913 
1 1 1   13   65    6 o  134.236   10.509   63.716   9.6856   66.585   19.393   62.763   11.180  132.827   21.856  132.698   12.313 0.1289520 25.08549 
1 1 1   13   67    0 o  122.762   16.514   54.830   13.675   73.659   17.301   23.483   22.324  141.982   18.012   82.431   30.086 59.55071 35.06514 
1 1 1   13   67    1 o   33.411   15.503  -6.9641   8.5777 -27.9342   11.387   20.548   13.042   28.937   14.403   74.244   23.006 -45.30695 27.14231 
1 1 1   13   67    2 o   40.869   17.250   1.0375   8.3650   11.200   11.105 -12.2940   12.719   59.038   21.269   39.101   18.381 19.93721 28.11088 
1 1 1   13   67    3 o   52.920   19.752   8.1800   9.7154   0.4184   16.414   12.366   12.054   54.731   23.655   61.564   22.161 -6.833183 32.41412 
1 1 1   13   67    4 o  108.520   13.492   42.430   9.9149   40.779   12.276   45.527   16.815  104.988   17.511  108.787   23.049 -3.799385 28.94684 
1 1 1   14    0    0 o   40.159   21.221   8.0507   7.8855   8.0507   7.8855   8.0507   7.8855   40.159   21.221   40.159   21.221 0.000000 0.000000 
1 1 1   14    0    1 o  509.158   6.8709  897.717   24.203  897.717   24.203  897.717   24.203  509.158   6.8709  509.158   6.8709 0.000000 0.000000 
1 1 1   14    0    2 o  1244.51   12.394  5363.67  106.730  5363.67  106.730  5363.67  106.730  1244.51   12.394  1244.51   12.394 0.000000 0.000000 
1 1 1   14    0    3 o  451.716   6.6324  706.689   20.725  706.689   20.725  706.689   20.725  451.716   6.6324  451.716   6.6324 0.000000 0.000000 
1 1 1   14    0    4 o   70.791   19.317   20.806   8.1824   20.806   8.1824   20.806   8.1824   70.791   19.317   70.791   19.317 0.000000 0.000000 
1 1 1   14    0    5 o  256.749   9.8303  229.219   17.410  229.219   17.410  229.219   17.410  256.749   9.8303  256.749   9.8303 0.000000 0.000000 
1 1 1   14    0    6 o  278.556   10.238  269.707   19.678  269.707   19.678  269.707   19.678  278.556   10.238  278.556   10.238 0.000000 0.000000 
1 1 1   14    0    7 o  195.083   11.884  133.219   15.909  133.219   15.909  133.219   15.909  195.083   11.884  195.083   11.884 0.000000 0.000000 
1 1 1   14    0    8 o  279.766   7.3550  271.458   14.219  271.458   14.219  271.458   14.219  279.766   7.3550  279.766   7.3550 0.000000 0.000000 
1 1 1   14    0    9 o  188.330   9.6354  123.733   12.484  123.733   12.484  123.733   12.484  188.330   9.6354  188.330   9.6354 0.000000 0.000000 
1 1 1   14    0   10 o  405.580   7.2882  569.901   20.444  569.901   20.444  569.901   20.444  405.580   7.2882  405.580   7.2882 0.000000 0.000000 
1 1 1   14    0   11 o  705.950   12.006  1727.32   58.624  1727.32   58.624  1727.32   58.624  705.950   12.006  705.950   12.006 0.000000 0.000000 
1 1 1   14    0   12 o  192.994   11.236  130.310   14.892  130.310   14.892  130.310   14.892  192.994   11.236  192.994   11.236 0.000000 0.000000 
1 1 1   14    0   13 o   33.667   22.327  -3.6619   13.748  -3.6619   13.748  -3.6619   13.748   33.667   22.327   33.667   22.327 0.000000 0.000000 
1 1 1   14    0   14 f   50.530   27.557   12.585   13.681   12.585   13.681   12.585   13.681   50.530   27.557   50.530   27.557 0.000000 0.000000 
1 1 1   14    0   15 o  178.239   11.702  111.776   14.293  111.776   14.293  111.776   14.293  178.239   11.702  178.239   11.702 0.000000 0.000000 
1 1 1   14    0   16 o   37.472   23.474   3.0551   12.587   3.0551   12.587   3.0551   12.587   37.472   23.474   37.472   23.474 0.000000 0.000000 
1 1 1   14    0   17 o  177.402   11.864  111.394   14.417  111.394   14.417  111.394   14.417  177.402   11.864  177.402   11.864 0.000000 0.000000 
1 1 1   14    0   18 o   30.827   20.820  -4.9938   12.966  -4.9938   12.966  -4.9938   12.966   30.827   20.820   30.827   20.820 0.000000 0.000000 
1 1 1   14    0   19 o   29.092   19.779  -5.2243   12.099  -5.2243   12.099  -5.2243   12.099   29.092   19.779   29.092   19.779 0.000000 0.000000 
1 1 1   14    0   20 o   84.182   24.164   32.378   12.207   32.378   12.207   32.378   12.207   84.182   24.164   84.182   24.164 0.000000 0.000000 
1 1 1   14    2    0 o  220.334   5.0217  168.031   7.6578  168.561   10.692  167.472   10.973  220.663   7.0009  219.947   7.2083 0.7164764 10.04851 
1 1 1   14    2    1 o  333.936   4.5285  385.959   10.466  368.879   14.494  404.569   15.130  326.438   6.4152  341.865   6.3943 -15.42752 9.057716 
1 1 1   14    2    2 o  519.589   4.8994  934.456   17.619  928.858   24.852  940.113   24.983  517.976   6.9323  521.105   6.9268 -3.128906 9.799881 
1 1 1   14    2    3 o  679.593   5.5886  1598.80   26.286  1575.83   36.721  1622.93   37.645  674.583   7.8651  684.584   7.9452 -10.00092 11.17966 
1 1 1   14    2    4 o  387.843   4.5886  520.688   12.317  521.594   17.313  519.758   17.528  388.130   6.4448  387.443   6.5366 0.6865234 9.179445 
1 1 1   14    2    5 o   72.888   14.549   19.086   7.0821   33.686   8.7245  -9.1220   12.127   97.668   13.248   40.820   18.758 56.84883 22.96467 
1 1 1   14    2    6 o  380.880   5.4402  502.169   14.341  511.533   17.630  483.854   24.657  384.387   6.6268  373.756   9.5317 10.63116 11.60894 
1 1 1   14    2    7 o  456.049   5.6536  719.917   17.845  738.049   31.849  711.621   21.544  461.630   9.9685  453.386   6.8657 8.244446 12.10409 
1 1 1   14    2    8 o  502.867   5.9036  875.299   20.547  902.439   36.556  862.766   24.842  510.477   10.347  499.224   7.1898 11.25214 12.59954 
1 1 1   14    2    9 f  255.471   5.6607  225.902   10.009  233.615   14.293  218.481   14.021  259.770   7.9499  251.213   8.0640 8.556381 11.32378 
1 1 1   14    2   10 o  938.068   8.1919  3046.69   53.186  3071.22   92.512  3034.59   65.002  941.372   14.199  936.087   10.033 5.285278 17.38610 
1 1 1   14    2   11 o  653.062   5.8102  1476.37   26.262  1437.91   36.393  1518.15   37.934  644.399   8.1600  662.130   8.2778 -17.73090 11.62352 
1 1 1   14    2   12 o  491.978   6.3308  838.020   21.557  857.986   26.742  800.976   36.426  497.743   7.7628  480.745   10.948 16.99789 13.42063 
1 1 1   14    2   13 o  242.526   6.8726  203.705   11.536  194.040   16.158  213.753   16.475  236.604   9.8673  248.343   9.5850 -11.73885 13.75630 
1 1 1   14    2   14 o  157.729   9.4688   86.594   10.289   93.742   14.831   79.962   14.286  163.706   13.202  151.027   13.820 12.67934 19.11251 
1 1 1   14    2   15 o  289.168   6.9772  289.903   13.964  300.058   17.447  271.805   23.292  294.050   8.5727  279.485   12.041 14.56549 14.78125 
1 1 1   14    2   16 o  161.752   8.8831   91.194   9.9066   86.711   14.152   95.502   13.873  157.036   13.141  165.023   12.233 -7.986465 17.95404 
1 1 1   14    2   17 o   92.240   14.826   30.623   9.1443   41.504   13.004   19.979   12.861  106.853   18.238   74.376   22.813 32.47717 29.20691 
1 1 1   14    2   18 o   97.352   16.610   34.521   10.790   29.024   19.075   37.107   13.085   88.305   27.894  100.169   19.576 -11.86366 34.07756 
1 1 1   14    2   19 o   65.064   20.759   15.301   10.544   14.588   12.975   16.688   18.095   65.686   23.059   72.521   26.978 -6.834648 35.48996 
1 1 1   14    2   20 o   75.055   16.854   21.122   8.5406   10.124   12.310   31.328   11.859   58.524   22.151   90.894   19.440 -32.37030 29.47164 
1 1 1   14    4    0 o  430.866   4.6443  642.546   13.850  621.179   19.122  666.121   20.086  423.608   6.5223  438.662   6.6159 -15.05426 9.290310 
1 1 1   14    4    1 o  441.961   4.6712  676.069   14.289  644.599   19.663  711.281   20.799  431.515   6.5838  453.284   6.6297 -21.76917 9.343459 
1 1 1   14    4    2 o  320.646   4.5610  355.862   10.122  340.750   14.100  371.932   14.540  313.733   6.4934  327.775   6.4092 -14.04208 9.123706 
1 1 1   14    4    3 f  539.750   4.9864  1008.45   18.627  993.153   26.061  1024.43   26.635  535.565   7.0307  543.931   7.0751 -8.365601 9.974347 
1 1 1   14    4    4 o  255.094   6.8179  225.324   12.037  250.634   17.714  203.610   16.407  268.963   9.5158  242.413   9.7793 26.54913 13.64497 
1 1 1   14    4    5 o  619.636   6.1628  1329.29   26.430  1332.01   32.408  1323.90   45.669  620.197   7.5500  618.094   10.676 2.103210 13.07562 
1 1 1   14    4    6 o  226.165   5.1810  177.057   8.1099  192.853   11.567  161.781   11.374  236.012   7.0810  216.157   7.6027 19.85507 10.38948 
1 1 1   14    4    7 o  550.273   5.9054  1048.15   22.491  1098.54   39.707  1024.35   27.291  563.189   10.187  543.951   7.2491 19.23810 12.50272 
1 1 1   14    4    8 o  582.023   6.2173  1172.58   25.045  1180.00   44.427  1169.12   30.322  583.700   10.997  581.129   7.5389 2.571289 13.33320 
1 1 1   14    4    9 o  607.091   7.7739  1275.92   32.664   0.0000   0.0000  1275.92   32.664  ?   ?   607.091   7.7739 0.000000 7.773889 
1 1 1   14    4   10 o  425.376   5.1735  626.296   15.231  634.973   21.842  618.082   21.251  428.269   7.3687  422.537   7.2666 5.732300 10.34898 
1 1 1   14    4   11 o  362.472   5.4114  454.797   13.576  438.670   19.043  471.466   19.359  355.935   7.7300  369.004   7.5801 -13.06946 10.82640 
1 1 1   14    4   12 o  829.258   6.6370  2381.03   38.093  2391.13   54.067  2371.08   53.677  830.784   9.4030  827.296   9.3746 3.488037 13.27778 
1 1 1   14    4   13 o  370.652   6.5889  475.770   16.903  482.771   20.887  462.488   28.771  373.301   8.0844  365.178   11.383 8.122742 13.96205 
1 1 1   14    4   14 o  118.972   13.959   49.889   11.276   59.773   13.702   29.151   19.848  130.123   15.521   91.084   28.406 39.03819 32.36953 
1 1 1   14    4   15 o  428.286   5.4991  635.509   16.300  648.444   23.267  623.040   22.844  432.370   7.7750  423.815   7.7878 8.555634 11.00459 
1 1 1   14    4   16 o   84.341   16.002   25.754   8.9992   25.453   12.898   26.039   12.563   83.199   22.045   84.114   21.498 -0.9149323 30.79198 
1 1 1   14    4   17 o  112.593   16.926   45.709   12.782   0.0000   0.0000   45.709   12.782  ?   ?   112.593   16.926 0.000000 16.92560 
1 1 1   14    4   18 o  295.367   5.8932  302.911   12.047  296.863   16.991  309.026   17.085  291.902   8.4100  297.850   8.2876 -5.948517 11.80730 
1 1 1   14    4   19 o  142.621   9.5018   71.490   9.3256   81.545   13.599   62.564   12.813  151.356   13.111  132.087   14.241 19.26955 19.35713 
1 1 1   14    4   20 o   34.317   16.187 -10.2971   10.015  -4.2695   12.447 -21.3659   16.867   43.912   19.710   41.948   20.126 1.964401 28.16921 
1 1 1   14    6    0 o  838.311   6.4291  2432.80   37.302  2374.62   51.571  2496.65   54.021  828.089   8.9981  849.087   9.1924 -20.99780 12.86340 
1 1 1   14    6    1 o  637.665   5.4049  1407.48   23.854  1361.40   32.839  1458.97   34.708  627.061   7.5665  649.136   7.7252 -22.07471 10.81351 
1 1 1   14    6    2 o  821.747   6.3303  2337.75   36.003  2265.92   49.468  2418.66   52.498  808.867   8.8363  835.667   9.0769 -26.80005 12.66767 
1 1 1   14    6    3 o  173.244   6.5521  103.916   7.8562  101.284   9.6400  109.122   13.557  171.012   8.1447  177.098   11.117 -6.086487 13.78098 
1 1 1   14    6    4 o  596.253   7.4195  1231.17   30.618  1231.17   30.618   0.0000   0.0000  596.253   7.4195  ?   ?  0.000000 7.419497 
1 1 1   14    6    5 o  346.224   4.6503  414.927   11.143  432.394   15.944  398.248   15.580  353.393   6.5188  339.150   6.6376 14.24380 9.303316 
1 1 1   14    6    6 o  566.221   5.1542  1109.76   20.199  1135.77   29.041  1085.38   28.112  572.747   7.3262  559.899   7.2546 12.84778 10.31025 
1 1 1   14    6    7 o  146.799   7.1957   74.605   7.3109   65.527   10.164   84.335   10.523  137.120   10.798  155.743   9.8129 -18.62320 14.59051 
1 1 1   14    6    8 o  1142.47   8.2171  4518.91   64.974  4578.16   93.210  4462.91   90.619  1149.67   11.714  1135.12   11.535 14.54810 16.43983 
1 1 1   14    6    9 o  471.961   5.9597  771.008   19.467  751.707   34.854  779.760   23.470  465.893   10.809  474.608   7.1448 -8.715179 12.95695 
1 1 1   14    6   10 o  621.842   5.6370  1338.48   24.261  1361.61   34.999  1317.09   33.660  627.113   8.0636  616.781   7.8851 10.33173 11.27813 
1 1 1   14    6   11 o  743.432   6.1785  1913.34   31.791  1933.66   45.392  1893.79   44.539  747.225   8.7770  739.487   8.7022 7.738281 12.35981 
1 1 1   14    6   12 o  465.161   5.4259  749.059   17.468  777.123   25.093  722.672   24.332  473.706   7.6537  456.807   7.6962 16.89886 10.85403 
1 1 1   14    6   13 o  420.970   6.4228  613.703   18.713  601.353   22.686  640.000   33.104  416.639   7.8673  429.590   11.134 -12.95065 13.63288 
1 1 1   14    6   14 o  463.441   5.5298  743.845   17.737  739.608   24.847  748.248   25.328  461.940   7.7717  464.620   7.8763 -2.680450 11.06505 
1 1 1   14    6   15 o  105.159   13.512   39.164   9.6069   40.223   13.856   38.184   13.331  105.364   19.726  102.645   19.478 2.719505 27.72212 
1 1 1   14    6   16 o  194.562   8.8177  131.557   11.874  147.122   20.806  124.039   14.460  204.447   14.804  188.360   11.141 16.08681 18.52786 
1 1 1   14    6   17 o  165.113   8.5059   95.094   9.6873   87.390   13.876  102.418   13.530  157.453   12.846  170.826   11.511 -13.37292 17.24830 
1 1 1   14    6   18 o   80.725   18.213   24.146   9.9337   40.966   17.961   16.734   11.923  103.689   25.260   68.512   22.098 35.17715 33.56182 
1 1 1   14    6   19 o   54.552   18.684   10.036   8.4949   2.6827   12.128   17.118   11.902   50.038   20.925   68.627   22.072 -18.58877 30.41400 
1 1 1   14    6   20 o   74.846   18.799   21.269   9.7252   13.410   12.564   33.020   15.362   63.082   22.634   91.768   23.936 -28.68558 32.94272 
1 1 1   14    8    0 o  254.479   4.9265  224.156   8.6770  199.559   11.896  252.117   12.684  240.081   7.1593  269.857   6.7911 -29.77586 9.867869 
1 1 1   14    8    1 o  513.398   5.6693  912.419   20.145  892.073   24.347  956.585   35.870  507.602   6.9301  525.507   9.8623 -17.90564 12.05373 
1 1 1   14    8    2 f  734.558   6.7757  1868.19   34.448  1817.94   41.203  1984.88   62.785  724.523   8.2168  756.738   11.988 -32.21472 14.53330 
1 1 1   14    8    3 o  237.748   5.1390  195.669   8.4562  194.326   11.876  197.051   12.043  236.891   7.2437  238.546   7.2943 -1.654465 10.27998 
1 1 1   14    8    5 f  442.707   4.7561  678.405   14.573  706.680   21.115  652.687   20.138  451.782   6.7528  434.182   6.7013 17.60016 9.513598 
1 1 1   14    8    6 o  734.461   5.9206  1867.33   30.096  1910.48   43.447  1827.52   41.729  742.779   8.4514  726.481   8.2993 16.29718 11.84498 
1 1 1   14    8    7 o  660.222   5.5966  1508.79   25.573  1504.05   36.115  1513.56   36.218  659.107   7.9169  661.186   7.9144 -2.079163 11.19445 
1 1 1   14    8    8 o  1102.39   9.1947  4207.81   70.153  4220.49  121.407  4201.46   85.956  1103.44   15.897  1101.40   11.276 2.037842 19.49012 
1 1 1   14    8    9 o  395.367   5.0338  541.028   13.774  539.161   19.509  542.884   19.450  394.651   7.1426  396.012   7.0965 -1.361115 10.06857 
1 1 1   14    8   10 o  746.850   7.1235  1931.02   36.821  1992.19   66.380  1903.83   44.254  758.264   12.649  741.505   8.6231 16.75909 15.30830 
1 1 1   14    8   11 o  978.808   7.3702  3317.27   49.929  3362.23   71.687  3274.91   69.581  985.138   10.514  972.279   10.340 12.85876 14.74646 
1 1 1   14    8   12 o  760.244   6.3141  2001.15   33.223  2024.95   47.485  1978.33   46.500  764.549   8.9738  755.703   8.8904 8.845825 12.63200 
1 1 1   14    8   13 f  390.182   7.9301  527.434   21.415  527.434   21.415   0.0000   0.0000  390.182   7.9301  ?   ?  0.000000 7.930060 
1 1 1   14    8   14 o  557.011   5.6570  1074.61   21.809  1054.02   30.451  1096.30   31.249  551.411   7.9789  562.355   8.0287 -10.94464 11.31914 
1 1 1   14    8   15 o  247.239   6.5934  211.910   11.282  234.456   16.773  193.279   15.247  259.830   9.3272  235.912   9.3382 23.91794 13.19840 
1 1 1   14    8   16 o  217.550   6.9976  164.233   10.536  166.841   15.443  161.962   14.412  218.934   10.191  215.773   9.6504 3.160233 14.03543 
1 1 1   14    8   17 o  106.346   12.618   40.140   9.1061   44.830   13.143   35.811   12.628  111.249   17.660   98.803   19.158 12.44556 26.05601 
1 1 1   14    8   18 o   65.736   18.169   15.922   8.5419   22.269   12.727   10.720   11.522   77.371   22.450   59.272   21.618 18.09929 31.16598 
1 1 1   14    8   19 o   71.361   21.068   19.018   11.123   17.410   17.113   20.195   14.636   72.433   26.356   74.373   24.514 -1.939316 35.99382 
1 1 1   14    8   20 o   45.115   18.169   3.9644   8.7156   2.0991   12.460   5.7517   12.196   49.559   20.993   53.016   21.443 -3.456577 30.00824 
1 1 1   14   10    0 o  505.625   5.6968  885.026   19.936  851.591   23.856  962.439   36.299  495.940   6.9500  527.086   9.9504 -31.14597 12.13727 
1 1 1   14   10    1 o  820.578   7.3256  2331.57   41.604  2245.61   49.232  2546.34   77.816  805.199   8.8342  856.969   13.120 -51.77045 15.81685 
1 1 1   14   10    2 o  476.439   4.8477  785.751   15.985  730.471   21.696  851.393   23.642  459.310   6.8250  495.869   6.8889 -36.55930 9.697281 
1 1 1   14   10    3 o  353.312   5.3792  432.141   13.154  423.876   15.875  450.244   23.494  349.885   6.5557  360.497   9.4162 -10.61215 11.47355 
1 1 1   14   10    4 o  495.317   4.9098  849.263   16.831  837.985   23.688  860.763   23.920  491.944   6.9573  498.587   6.9318 -6.642334 9.821076 
1 1 1   14   10    5 o  221.427   7.3512  169.765   11.266   0.0000   0.0000  169.765   11.266  ?   ?   221.427   7.3512 0.000000 7.351243 
1 1 1   14   10    6 o  673.452   5.6440  1569.92   26.307  1606.85   38.025  1536.01   36.433  681.232   8.0648  666.053   7.9034 15.17932 11.29183 
1 1 1   14   10    7 o  420.106   5.5047  610.885   16.006  618.537   26.873  606.679   19.925  422.647   9.1868  418.632   6.8769 4.014893 11.47557 
1 1 1   14   10    8 o  690.227   6.6847  1649.14   31.934  1672.56   39.723  1606.34   53.693  695.059   8.2574  681.027   11.391 14.03278 14.06947 
1 1 1   14   10    9 o  823.422   6.4785  2347.00   36.921  2414.33   53.498  2285.77   51.019  835.027   9.2568  812.501   9.0726 22.52631 12.96149 
1 1 1   14   10   10 o  393.756   5.1834  536.656   14.126  535.837   20.067  537.461   19.888  393.411   7.3699  394.009   7.2931 -0.5978394 10.36849 
1 1 1   14   10   11 o  885.670   7.9640  2716.32   48.818  2828.78   88.781  2667.58   58.448  903.161   14.203  877.554   9.6232 25.60736 17.15595 
1 1 1   14   10   12 o  442.893   6.3107  679.171   19.344  666.959   23.887  702.439   32.972  438.827   7.8649  450.195   10.582 -11.36786 13.18472 
1 1 1   14   10   13 o  138.824   10.560   67.217   10.071   74.544   14.391   60.186   14.097  145.776   14.454  130.615   15.923 15.16098 21.50549 
1 1 1   14   10   14 o  451.852   5.4619  707.147   17.081  713.885   24.564  700.838   23.769  453.796   7.8209  449.648   7.6375 4.147705 10.93150 
1 1 1   14   10   15 o  117.992   16.258   49.600   12.925   42.205   17.977   57.512   18.595  106.997   24.765  125.872   22.154 -18.87431 33.22814 
1 1 1   14   10   16 f  254.230   6.3210  224.184   11.122  234.191   15.954  214.721   15.514  259.550   8.8810  248.509   9.0197 11.04088 12.65813 
1 1 1   14   10   17 o  115.846   11.329   47.335   8.9668   39.391   13.163   54.213   12.248  103.741   19.034  123.327   14.635 -19.58635 24.01028 
1 1 1   14   10   18 o   61.166   18.685   13.502   8.6381   8.4583   12.546   18.049   11.911   57.565   22.219   70.482   22.010 -12.91709 31.27509 
1 1 1   14   10   19 o  175.937   8.0571  108.032   9.8109  117.573   14.430   99.829   13.379  182.405   11.489  167.994   11.578 14.41054 16.31049 
1 1 1   14   10   20 o  102.132   13.170   37.718   9.0928   26.081   13.347   47.798   12.421   81.892   22.739  114.021   16.195 -32.12928 27.91711 
1 1 1   14   12    0 o  450.128   5.5799  701.425   17.383  662.532   20.679  795.122   32.096  437.429   6.8304  479.070   9.6800 -41.64047 11.84721 
1 1 1   14   12    1 f  473.549   4.8584  776.254   15.923  745.178   21.992  810.501   23.086  463.907   6.8493  483.811   6.8945 -19.90442 9.718378 
1 1 1   14   12    2 o  130.740   7.5248   59.390   6.7803   42.345   9.6343   76.117   9.5438  109.746   12.932  147.930   9.3699 -38.18346 15.96992 
1 1 1   14   12    3 o  558.478   5.1282  1079.70   19.822  1073.37   27.949  1086.10   28.117  556.746   7.2533  560.038   7.2538 -3.291504 10.25806 
1 1 1   14   12    4 o  640.622   5.4766  1420.68   24.282  1442.52   34.917  1400.23   33.791  645.412   7.8167  635.890   7.6779 9.522644 10.95675 
1 1 1   14   12    5 o  705.753   5.7921  1724.21   28.292  1715.50   40.019  1732.91   40.002  703.856   8.2151  707.422   8.1701 -3.565857 11.58612 
1 1 1   14   12    6 o  407.721   5.4067  575.407   15.257  607.805   26.768  559.817   18.569  418.949   9.2315  402.135   6.6717 16.81360 11.38999 
1 1 1   14   12    7 o  425.013   4.8586  625.203   14.292  597.134   19.724  656.229   20.737  415.329   6.8618  435.395   6.8817 -20.06613 9.718097 
1 1 1   14   12    8 o  975.754   7.2676  3295.90   49.080  3353.12   70.566  3242.28   68.309  984.017   10.361  967.627   10.200 16.39069 14.53937 
1 1 1   14   12    9 o  420.015   5.1271  610.596   14.904  601.134   21.001  620.199   21.156  416.709   7.2816  423.267   7.2219 -6.557465 10.25557 
1 1 1   14   12   10 o  541.994   5.3914  1016.82   20.224  1051.41   29.347  985.536   27.909  551.065   7.6947  533.527   7.5582 17.53784 10.78584 
1 1 1   14   12   11 o  868.992   7.8211  2615.00   47.039  2607.51   57.746  2629.76   81.095  867.598   9.6167  870.867   13.455 -3.268311 16.53798 
1 1 1   14   12   12 f  251.516   7.8371  219.108   13.643  241.561   26.166  210.725   15.988  263.426   14.406  246.612   9.3670 16.81386 17.18365 
1 1 1   14   12   13 o  323.672   5.9101  362.792   13.240  375.382   19.206  351.392   18.276  329.122   8.4314  318.439   8.2925 10.68307 11.82597 
1 1 1   14   12   14 o  528.340   6.3402  967.177   23.184  1040.98   41.786  934.353   27.867  547.449   11.028  519.140   7.7559 28.30914 13.48243 
1 1 1   14   12   15 o   95.310   13.956   32.359   8.9332   29.413   13.522   34.641   11.900   89.502   21.987   97.818   18.248 -8.315567 28.57357 
1 1 1   14   12   16 o  210.097   8.2239  153.373   11.958  146.899   14.408  167.707   21.438  205.399   10.135  218.361   14.263 -12.96239 17.49767 
1 1 1   14   12   17 o  113.133   11.491   45.204   8.8730   33.428   12.912   55.741   12.214   95.056   20.246  125.112   14.366 -30.05520 24.82502 
1 1 1   14   12   18 o  145.200   10.073   74.073   10.061   87.288   13.163   55.512   15.601  157.154   12.198  123.119   18.913 34.03536 22.50521 
1 1 1   14   12   19 o  277.556   6.0900  267.926   11.699  261.248   16.846  274.147   16.259  273.302   8.9057  280.135   8.3861 -6.833618 12.23268 
1 1 1   14   12   20 o   79.607   16.285   23.692   8.6701   22.524   12.947   24.642   11.674   76.375   22.774   79.911   20.878 -3.536308 30.89568 
1 1 1   14   14    0 o  104.745   9.5566   38.327   6.8518   32.161   9.3834   45.371   10.029   95.164   14.722  113.646   12.983 -18.48257 19.62884 
1 1 1   14   14    1 o  333.245   5.5731  384.456   12.854  326.488   20.894  419.755   16.304  306.967   9.8344  348.175   6.7659 -41.20801 11.93710 
1 1 1   14   14    2 o  1283.49   9.0481  5706.60   80.375  5514.09  109.682  5929.87  118.123  1261.05   12.567  1307.63   13.052 -46.57800 18.11843 
1 1 1   14   14    3 o  951.347   7.0877  3133.86   46.668  3049.79   64.423  3226.69   67.697  938.237   9.9209  965.039   10.135 -26.80237 14.18283 
1 1 1   14   14    4 f  310.213   4.8181  333.094   10.344  338.375   14.951  328.246   14.327  312.624   6.9100  307.913   6.7230 4.710785 9.640849 
1 1 1   14   14    5 o  576.199   5.9742  1149.28   23.825  1149.27   40.966  1149.29   29.287  576.023   10.276  576.155   7.3444 -0.1319580 12.63042 
1 1 1   14   14    6 o  520.935   5.0486  939.284   18.203  935.703   25.938  942.760   25.551  519.890   7.2086  521.851   7.0744 -1.960571 10.10003 
1 1 1   14   14    7 o  823.636   6.4207  2348.20   36.601  2333.41   51.572  2363.21   51.953  820.927   9.0768  826.153   9.0860 -5.226501 12.84306 
1 1 1   14   14    8 o  788.808   8.8652  2154.31   48.399   0.0000   0.0000  2154.31   48.399  ?   ?   788.808   8.8652 0.000000 8.865249 
1 1 1   14   14    9 o  277.646   6.2351  266.840   11.982  274.583   15.006  253.219   19.902  281.625   7.6985  270.395   10.634 11.22968 13.12848 
1 1 1   14   14   10 o  409.030   5.9812  579.161   16.932  591.115   21.281  558.537   27.953  413.193   7.4414  401.562   10.058 11.63104 12.51142 
1 1 1   14   14   11 o  216.206   6.9115  161.854   10.342  154.060   14.997  168.922   14.281  210.865   10.276  220.826   9.3441 -9.960464 13.88931 
1 1 1   14   14   12 o  527.533   5.5103  963.485   20.119  999.679   29.294  931.171   27.679  537.222   7.8785  518.498   7.7132 18.72473 11.02557 
1 1 1   14   14   13 o  211.607   10.022  155.289   14.678   0.0000   0.0000  155.289   14.678  ?   ?   211.607   10.022 0.000000 10.02197 
1 1 1   14   14   14 o  428.898   5.4389  637.198   16.145  664.252   23.803  614.146   21.972  437.679   7.8577  420.882   7.5430 16.79779 10.89221 
1 1 1   14   14   15 o   35.176   16.113  -6.1302   8.8509   1.1189   13.128 -12.1717   11.984   51.168   21.604   38.208   17.923 12.96030 28.07105 
1 1 1   14   14   16 o  307.155   5.7573  327.163   12.239  342.558   17.644  312.884   16.992  313.977   8.1194  300.060   8.1822 13.91681 11.52703 
1 1 1   14   14   17 o   85.054   20.737   26.914   12.097   26.914   12.097   0.0000   0.0000   85.054   20.737  ?   ?  0.000000 20.73729 
1 1 1   14   14   18 o   73.588   17.028   20.059   8.5008   13.951   12.255   25.722   11.802   64.456   22.422   82.760   20.666 -18.30396 30.49315 
1 1 1   14   14   19 o   70.354   17.445   18.526   8.4527   14.154   12.499   22.211   11.474   64.454   22.632   76.523   21.020 -12.06850 30.88739 
1 1 1   14   14   20 o   52.033   18.498   8.9263   8.3731   3.1249   12.326   13.897   11.410   50.208   21.052   62.617   21.643 -12.40936 30.19291 
1 1 1   14   16    0 o  865.962   6.6643  2596.46   39.942  2405.33   52.677  2854.99   61.264  833.280   9.1339  907.768   9.7511 -74.48816 13.36085 
1 1 1   14   16    3 o  542.412   5.1176  1018.41   19.212  1004.15   27.098  1032.82   27.243  538.529   7.2702  546.163   7.2069 -7.634155 10.23695 
1 1 1   14   16    4 o  820.588   7.3378  2331.35   41.674  2259.51   69.957  2370.87   51.886  807.470   12.518  827.408   9.0605 -19.93781 15.45275 
1 1 1   14   16    5 o  660.907   5.5878  1511.94   25.560  1506.21   36.203  1517.64   36.091  659.570   7.9307  662.070   7.8762 -2.499512 11.17721 
1 1 1   14   16    6 o  760.971   6.0934  2004.45   32.093  1940.99   44.298  2074.55   46.558  748.734   8.5483  774.060   8.6904 -25.32593 12.19003 
1 1 1   14   16    7 f  1460.90   10.159  7390.47  102.720  7574.54  149.117  7224.25  141.702  1478.46   14.573  1443.93   14.179 34.53931 20.33256 
1 1 1   14   16    8 o  1457.49   10.131  7356.15  102.198  7430.05  146.111  7285.38  142.998  1464.29   14.417  1449.99   14.249 14.30322 20.27039 
1 1 1   14   16    9 o  608.272   6.3177  1280.78   26.597  1289.20   33.073  1265.37   44.747  610.218   7.8310  604.428   10.697 5.790710 13.25677 
1 1 1   14   16   10 o  346.099   5.3069  414.635   12.712  414.518   18.126  414.748   17.833  346.001   7.5690  346.100   7.4447 -0.9909058E-01 10.61661 
1 1 1   14   16   11 o  305.165   5.7666  322.400   12.180  332.342   17.591  313.245   16.880  309.770   8.2050  300.741   8.1096 9.028534 11.53634 
1 1 1   14   16   12 o  669.949   5.9153  1554.09   27.428  1630.59   40.482  1489.17   37.292  686.033   8.5260  655.635   8.2181 30.39740 11.84186 
1 1 1   14   16   13 o  265.835   6.2193  244.774   11.443  230.314   16.753  257.418   15.666  257.714   9.3927  272.518   8.3061 -14.80432 12.53848 
1 1 1   14   16   14 o  221.135   8.1021  169.615   12.400  177.366   24.782  167.026   14.322  224.822   16.031  219.350   9.4340 5.471252 18.60125 
1 1 1   14   16   15 o  111.282   12.010   43.649   9.1037   16.514   12.982   69.907   12.770   69.712   23.092  140.919   13.249 -71.20676 26.62324 
1 1 1   14   16   16 o  158.096   8.6385   87.174   9.4164   90.665   13.476   83.842   13.163  160.626   12.213  154.388   12.424 6.238052 17.42190 
1 1 1   14   16   17 f  204.232   6.9535  144.943   9.8289  140.621   14.242  148.875   13.582  200.410   10.302  206.612   9.4980 -6.202286 14.01247 
1 1 1   14   16   18 o   82.543   18.009   25.310   9.9988   19.719   12.120   37.224   17.693   73.011   22.094   98.339   25.707 -25.32790 33.89706 
1 1 1   14   16   19 o  179.814   8.7142  113.111   10.845  108.293   19.266  115.346   13.121  172.957   16.286  180.842   10.529 -7.885529 19.39321 
1 1 1   14   16   20 o   61.114   18.388   13.982   8.4124   28.882   12.941   3.0770   11.071   86.002   21.732   48.008   20.026 37.99474 29.55226 
1 1 1   14   18    0 o  1139.78   9.4752  4499.98   74.746  4254.15  122.231  4646.82   94.467  1107.23   15.950  1157.92   11.788 -50.69019 19.83316 
1 1 1   14   18    1 o  251.619   5.3930  219.163   9.3918  191.098   12.980  249.999   13.606  234.914   7.9835  268.703   7.3161 -33.78896 10.82875 
1 1 1   14   18    2 o  499.210   7.1295  862.840   24.633  862.840   24.633   0.0000   0.0000  499.210   7.1295  ?   ?  0.000000 7.129482 
1 1 1   14   18    3 o  321.186   5.5736  357.094   12.390  379.707   21.720  346.186   15.085  331.112   9.4777  316.219   6.8927 14.89273 11.71906 
1 1 1   14   18    4 o  383.327   6.8801  508.689   18.253  508.689   18.253   0.0000   0.0000  383.327   6.8801  ?   ?  0.000000 6.880060 
1 1 1   14   18    5 o  280.088   7.1081  271.578   13.779   0.0000   0.0000  271.578   13.779  ?   ?   280.088   7.1081 0.000000 7.108069 
1 1 1   14   18    6 o  381.940   4.9211  504.902   13.009  486.194   18.378  523.689   18.417  374.766   7.0852  388.953   6.8413 -14.18686 9.849018 
1 1 1   14   18    7 o  288.583   7.3404  288.295   14.661   0.0000   0.0000  288.295   14.661  ?   ?   288.583   7.3404 0.000000 7.340381 
1 1 1   14   18    8 o  1665.60   11.428  9608.89  131.738  9825.85  190.813  9411.29  182.104  1683.51   16.376  1647.69   15.969 35.82361 22.87310 
1 1 1   14   18    9 o  482.331   5.1682  805.256   17.253  830.173   24.920  782.318   23.910  489.681   7.3528  475.361   7.2675 14.32095 10.33831 
1 1 1   14   18   10 o  399.902   5.2127  553.576   14.427  581.732   21.166  529.140   19.718  409.885   7.4610  390.923   7.2878 18.96167 10.42966 
1 1 1   14   18   11 o  562.933   5.5154  1097.07   21.489  1120.42   31.312  1076.28   29.544  568.771   7.9543  557.471   7.6573 11.30017 11.04107 
1 1 1   14   18   12 o  305.087   6.3702  322.332   13.451  360.146   23.696  304.355   16.338  322.283   10.623  296.398   7.9644 25.88492 13.27735 
1 1 1   14   18   13 o  333.039   5.5937  384.138   12.894  389.010   19.300  380.211   17.328  334.979   8.3244  331.221   7.5588 3.758179 11.24414 
1 1 1   14   18   14 o  166.307   8.1050   95.953   9.3292   95.977   13.976   95.933   12.529  165.613   12.280  165.759   10.984 -0.1456146 16.47548 
1 1 1   14   18   15 o  190.033   8.3934  125.429   11.039  136.781   21.273  121.245   12.914  196.938   15.739  186.423   10.046 10.51477 18.67163 
1 1 1   14   18   16 o  303.496   5.6633  319.459   11.896  349.936   17.576  293.698   16.160  317.293   8.0038  290.676   8.0324 26.61655 11.33927 
1 1 1   14   18   17 o  139.905   9.2439   68.548   8.9005   51.577   13.268   82.432   12.001  119.593   16.467  153.032   11.413 -33.43906 20.03519 
1 1 1   14   18   18 o  238.637   7.1386  198.241   11.790  213.610   21.638  191.752   14.061  245.813   12.762  234.370   8.6685 11.44305 15.42797 
1 1 1   14   18   19 o  143.941   11.056   73.412   10.930   73.739   13.295   72.732   19.196  143.433   13.553  139.466   20.499 3.967270 24.57418 
1 1 1   14   18   20 o   61.001   18.417   13.966   8.4279   9.0699   12.762   17.753   11.223   57.223   22.320   68.289   21.371 -11.06580 30.90162 
1 1 1   14   20    0 o  858.089   9.3647  2550.12   55.616  2432.68   75.585  2688.78   82.128  837.780   13.035  880.728   13.473 -42.94788 18.74708 
1 1 1   14   20    1 o  177.396   6.6886  108.946   8.2122   90.675   11.711  126.622   11.519  161.446   10.538  191.219   8.7037 -29.77271 13.66798 
1 1 1   14   20    2 o  613.545   6.2590  1303.12   26.579  1240.49   44.422  1338.05   33.171  598.422   10.725  621.659   7.7096 -23.23657 13.20871 
1 1 1   14   20    3 o  1120.05   8.0926  4343.58   62.734  4314.46   88.261  4373.32   89.184  1115.99   11.427  1123.57   11.468 -7.581665 16.18952 
1 1 1   14   20    4 o  1199.15   8.5520  4978.83   70.977  4916.37   99.238  5044.24  101.556  1191.29   12.036  1206.67   12.160 -15.38000 17.10954 
1 1 1   14   20    5 o  218.841   5.8781  165.770   8.9031  170.941   12.851  160.997   12.346  222.202   8.3560  215.643   8.2723 6.558914 11.75814 
1 1 1   14   20    6 o  344.778   6.9676  411.489   16.626   0.0000   0.0000  411.489   16.626  ?   ?   344.778   6.9676 0.000000 6.967596 
1 1 1   14   20    7 o  388.568   5.0360  522.579   13.543  526.565   19.354  518.754   18.959  390.015   7.1697  387.113   7.0763 2.902008 10.07365 
1 1 1   14   20    8 o  934.693   8.1275  3024.78   52.578  3093.57   66.157  2906.83   86.629  945.137   10.113  915.885   13.666 29.25238 17.00128 
1 1 1   14   20    9 o  254.172   5.7233  223.631   10.068  255.579   15.131  198.249   13.487  271.683   8.0471  239.277   8.1441 32.40541 11.44914 
1 1 1   14   20   10 o  527.684   5.3246  963.904   19.446  986.248   28.228  943.721   26.828  533.675   7.6423  522.052   7.4250 11.62323 10.65532 
1 1 1   14   20   11 o  253.069   6.7040  221.770   11.742  240.976   20.099  211.818   14.468  263.657   11.014  247.279   8.4537 16.37755 13.88463 
1 1 1   14   20   12 f  275.821   5.9297  263.450   11.320  279.286   16.996  250.826   15.175  283.881   8.6504  269.050   8.1494 14.83093 11.88457 
1 1 1   14   20   13 o  301.513   5.7102  314.897   11.916  352.837   17.731  283.650   16.092  319.014   8.0308  286.026   8.1287 32.98856 11.42665 
1 1 1   14   20   14 o  140.509   9.2750   68.860   8.9690   64.395   13.433   72.452   12.048  135.050   14.604  143.741   12.227 -8.690384 19.04621 
1 1 1   14   20   15 o   43.129   17.960   1.5465   8.8812   4.7410   12.049  -2.2541   13.142   52.982   21.354   47.980   20.948 5.001331 29.91306 
1 1 1   14   20   16 o  169.867   8.7938  100.683   10.303  113.171   20.695   96.568   11.880  178.212   16.984  166.077   10.388 12.13503 19.90893 
1 1 1   14   20   17 o   42.480   17.284   2.7384   7.9778   7.0267   12.724  -0.0390   10.240   56.192   22.176   43.921   18.830 12.27093 29.09195 
1 1 1   14   20   18 o  117.646   10.609   48.931   8.5453   55.068   12.968   44.220   11.361  123.465   15.518  110.534   15.257 12.93175 21.76220 
1 1 1   14   20   19 o  131.994   9.8129   61.518   8.9005   67.667   13.329   56.571   11.957  137.007   14.266  125.237   14.036 11.76982 20.01301 
1 1 1   14   20   20 o   45.344   19.086   2.2197   10.194  -0.2462   12.279   7.6878   18.285   46.584   20.296   61.977   25.786 -15.39309 32.81475 
1 1 1   14   22    0 o  1295.49   12.968  5815.70  116.278   0.0000   0.0000  5815.70  116.278  ?   ?   1295.49   12.968 0.000000 12.96843 
1 1 1   14   22    1 o  1126.00   11.511  4392.23   89.710   0.0000   0.0000  4392.23   89.710  ?   ?   1126.00   11.511 0.000000 11.51132 
1 1 1   14   22    2 o  1570.64   10.840  8544.63  117.840  8187.10  159.153  8978.48  175.319  1536.80   14.963  1609.22   15.741 -72.41467 21.71812 
1 1 1   14   22    3 o  1371.99   13.593  6522.69  129.077   0.0000   0.0000  6522.69  129.077  ?   ?   1371.99   13.593 0.000000 13.59315 
1 1 1   14   22    4 o  294.794   5.3105  300.793   10.835  280.311   15.364  321.056   15.282  284.549   7.8016  304.537   7.2505 -19.98770 10.65058 
1 1 1   14   22    5 o  721.937   5.9612  1804.03   29.786  1841.19   43.012  1769.78   41.288  729.251   8.5219  714.975   8.3436 14.27576 11.92641 
1 1 1   14   22    6 o  661.934   5.7052  1516.58   26.138  1513.60   37.070  1519.52   36.859  661.215   8.1003  662.510   8.0385 -1.295105 11.41196 
1 1 1   14   22    7 o  379.056   10.007  497.561   26.253   0.0000   0.0000  497.561   26.253  ?   ?   379.056   10.007 0.000000 10.00677 
1 1 1   14   22    8 o  1074.41   9.1253  3997.37   67.857  4057.73   84.115  3884.88  114.830  1082.30   11.229  1058.49   15.674 23.80957 19.28163 
1 1 1   14   22    9 f  267.602   6.8865  247.929   12.755  252.147   15.582  239.366   22.203  269.839   8.3435  262.808   12.206 7.030731 14.78548 
1 1 1   14   22   10 o  516.289   7.4954  923.062   26.783  930.732   36.530  914.146   39.386  518.279   10.184  513.581   11.080 4.698242 15.04929 
1 1 1   14   22   11 o  759.661   6.2721  1998.27   32.977  2141.40   49.550  1884.47   44.182  786.130   9.1070  737.508   8.6557 48.62158 12.56419 
1 1 1   14   22   12 o  455.695   7.3258  719.458   23.105   0.0000   0.0000  719.458   23.105  ?   ?   455.695   7.3258 0.000000 7.325771 
1 1 1   14   22   13 o  316.677   5.4518  347.373   11.949  350.383   17.276  344.613   16.544  317.883   7.8524  315.276   7.5820 2.607117 10.91545 
1 1 1   14   22   14 o  306.173   6.2209  324.963   13.183  340.840   17.291  302.927   20.371  313.389   7.9719  295.209   9.9702 18.18039 12.76545 
1 1 1   14   22   15 o  259.576   8.6099  234.204   15.468  234.204   15.468   0.0000   0.0000  259.576   8.6099  ?   ?  0.000000 8.609947 
1 1 1   14   22   16 f   61.882   17.591   13.923   7.8901   19.351   12.167   9.9843   10.365   73.021   22.147   57.091   20.550 15.92991 30.21214 
1 1 1   14   22   17 o  104.418   15.602   39.432   10.930   0.0000   0.0000   39.432   10.930  ?   ?   104.418   15.602 0.000000 15.60242 
1 1 1   14   22   18 o  129.616   9.5754   59.130   8.5291   54.540   13.429   62.234   11.043  122.533   16.234  132.320   12.195 -9.786789 20.30424 
1 1 1   14   22   19 o  123.068   10.253   53.666   8.6539   56.894   13.219   51.245   11.448  124.886   15.636  118.984   14.181 5.902122 21.10897 
1 1 1   14   24    0 o  664.617   6.6131  1529.06   30.420   0.0000   0.0000  1529.06   30.420  ?   ?   664.617   6.6131 0.000000 6.613095 
1 1 1   14   24    1 o  1064.75   9.0298  3925.50   66.543  3544.88  104.560  4184.59   86.268  1011.31   14.938  1099.15   11.340 -87.83551 18.75509 
1 1 1   14   24    2 o  135.915   8.6593   64.219   8.1033   46.854   11.763   79.901   11.179  115.289   15.106  151.511   10.730 -36.22264 18.52848 
1 1 1   14   24    3 o  143.761   8.3844   71.797   8.3062   63.489   12.146   79.096   11.384  134.728   13.195  150.723   10.989 -15.99472 17.17164 
1 1 1   14   24    4 o  1262.95   8.9612  5522.54   78.331  5437.69  109.228  5612.38  112.392  1252.91   12.596  1272.86   12.758 -19.94897 17.92845 
1 1 1   14   24    6 o  148.975   9.2030   77.138   9.4425   79.780   12.250   73.268   14.823  151.310   11.790  144.625   15.028 6.685608 19.10097 
1 1 1   14   24    7 o  425.585   10.740  627.317   31.634   0.0000   0.0000  627.317   31.634  ?   ?   425.585   10.740 0.000000 10.73963 
1 1 1   14   24    8 o  213.903   7.8146  158.422   11.569  170.032   13.974  133.122   20.628  221.580   9.1117  195.326   15.383 26.25464 17.87918 
1 1 1   14   24    9 o  673.995   6.8356  1572.82   31.887  1551.99   38.536  1618.05   56.784  669.435   8.3173  683.255   12.008 -13.81934 14.60708 
1 1 1   14   24   10 o  540.825   6.3834  1012.74   23.894  1055.61   29.837  936.097   39.894  552.079   7.8088  519.672   11.092 32.40619 13.56478 
1 1 1   14   24   11 o  456.715   6.2391  722.324   19.722  758.298   24.564  657.073   33.082  467.873   7.5856  435.287   10.981 32.58575 13.34631 
1 1 1   14   24   12 o  275.399   6.9290  262.781   13.207  279.465   15.933  226.146   23.611  283.944   8.1076  254.709   13.441 29.23499 15.69683 
1 1 1   14   24   13 o  530.809   5.3684  976.058   19.722  1014.17   28.823  942.498   27.045  540.776   7.7008  521.346   7.4953 19.43018 10.74627 
1 1 1   14   24   14 o  108.281   10.591   41.180   7.8355   43.524   11.560   39.187   10.658  110.453   15.552  104.785   15.134 5.668190 21.70007 
1 1 1   14   24   15 o  232.438   6.0513  187.404   9.7350  197.088   14.440  179.335   13.181  238.061   8.7637  227.133   8.3848 10.92760 12.12877 
1 1 1   14   24   16 o  112.711   11.127   44.831   8.5670   40.015   15.014   47.156   10.432  103.773   21.607  115.153   13.336 -11.37987 25.39082 
1 1 1   14   24   17 o   64.839   16.514   15.533   7.4313   9.3104   11.276   20.311   9.8804   56.929   21.274   73.821   19.168 -16.89140 28.63562 
1 1 1   14   24   18 o   34.073   15.248  -2.8578   7.3915   3.1745   11.511  -7.0899   9.6417   49.414   20.501   35.890   16.576 13.52384 26.36394 
1 1 1   14   24   19 o   31.958   14.721  -5.2611   7.5306 -19.5577   11.619   5.0935   9.8885   32.683   15.923   48.571   19.426 -15.88740 25.11796 
1 1 1   14   26    0 f  966.217   7.2641  3231.80   48.577  3050.73   92.605  3300.53   57.058  938.305   14.260  976.380   8.4434 -38.07477 16.57202 
1 1 1   14   26    1 o  1117.46   8.1107  4323.10   62.729  4018.05  116.976  4446.23   74.319  1076.69   15.697  1133.18   9.4760 -56.48218 18.33581 
1 1 1   14   26    2 o  356.840   5.2915  440.727   13.069  431.821   18.642  449.333   18.325  353.183   7.6265  360.278   7.3491 -7.095062 10.59117 
1 1 1   14   26    3 o  726.973   6.0515  1829.29   30.448  1788.30   42.541  1872.34   43.598  718.701   8.5523  735.395   8.5658 -16.69391 12.10435 
1 1 1   14   26    4 o  600.845   5.5045  1249.55   22.891  1241.17   32.497  1257.80   32.249  598.771   7.8416  602.771   7.7302 -4.000122 11.01119 
1 1 1   14   26    5 o  677.991   6.6843  1591.18   31.366  1597.72   38.904  1579.03   53.021  679.331   8.2743  675.217   11.346 4.114563 14.04226 
1 1 1   14   26    6 o  597.036   5.5443  1233.79   22.910  1245.45   32.930  1222.86   31.894  599.782   7.9327  594.324   7.7537 5.457764 11.09272 
1 1 1   14   26    7 o  342.010   6.4095  404.923   15.172  397.776   18.180  421.317   27.536  338.952   7.7498  348.737   11.409 -9.784729 13.79187 
1 1 1   14   26    8 o  454.972   6.2168  716.608   19.576  740.979   24.052  668.781   33.694  462.603   7.5122  439.344   11.081 23.25909 13.38722 
1 1 1   14   26    9 o  667.098   6.5935  1540.82   30.442  1577.56   53.065  1522.80   37.167  674.659   11.365  663.097   8.0984 11.56146 13.95479 
1 1 1   14   26   10 o  137.051   9.0167   65.360   8.5051   66.081   12.786   64.788   11.390  137.325   13.633  136.131   12.220 1.193726 18.30784 
1 1 1   14   26   11 o  255.203   7.0186  225.604   12.397  205.610   25.111  232.048   14.255  242.745   15.020  258.785   7.9590 -16.03999 16.99868 
1 1 1   14   26   12 o  103.192   11.550   37.449   8.1073   57.728   11.911   19.942   11.067  128.100   13.644   74.375   20.726 53.72440 24.81357 
1 1 1   14   26   13 o  307.682   9.9947  328.927   21.284  328.927   21.284   0.0000   0.0000  307.682   9.9947  ?   ?  0.000000 9.994705 
1 1 1   14   26   14 o   91.804   15.658   30.341   9.5920   27.362   11.503   37.141   17.378   86.367   19.682  100.020   25.134 -13.65199 31.92311 
1 1 1   14   26   15 o  141.658   8.3130   70.012   8.1146   60.332   11.927   78.354   11.072  130.573   13.387  149.495   10.773 -18.92178 17.18381 
1 1 1   14   26   16 o  180.982   6.9314  113.832   8.6823  106.987   13.171  119.093   11.546  174.569   10.957  184.844   9.0252 -10.27507 14.19514 
1 1 1   14   26   17 o  164.518   7.3839   94.241   8.4077  103.710   12.937   87.317   11.062  171.622   10.948  157.605   10.196 14.01740 14.96095 
1 1 1   14   26   18 o  170.404   7.1830  101.228   8.4715  114.965   12.616   89.949   11.432  180.674   10.130  159.668   10.402 21.00693 14.51953 
1 1 1   14   26   19 o  137.693   9.5048   67.013   9.0026   71.280   12.248   62.000   13.277  140.901   12.696  130.410   14.982 10.49171 19.63805 
1 1 1   14   28    0 o  995.721   8.5729  3432.53   59.080   0.0000   0.0000  3432.53   59.080  ?   ?   995.721   8.5729 0.000000 8.572904 
1 1 1   14   28    1 o  357.484   10.474  442.537   25.915  442.537   25.915   0.0000   0.0000  357.484   10.474  ?   ?  0.000000 10.47408 
1 1 1   14   28    2 o  1317.01   10.758  6006.63   98.063  5921.95  167.662  6050.66  120.898  1306.80   18.537  1321.60   13.217 -14.79700 22.76694 
1 1 1   14   28    3 o  835.880   7.6297  2418.74   44.139  2325.37   74.326  2469.62   54.861  819.302   13.108  844.548   9.3856 -25.24622 16.12130 
1 1 1   14   28    4 o  817.378   7.4783  2312.85   42.306  2261.20   51.136  2424.88   75.317  808.130   9.1425  836.639   13.007 -28.50940 15.89864 
1 1 1   14   28    5 o  525.446   7.5196  955.812   27.346   0.0000   0.0000  955.812   27.346  ?   ?   525.446   7.5196 0.000000 7.519595 
1 1 1   14   28    6 o  873.401   9.5686  2641.73   57.841   0.0000   0.0000  2641.73   57.841  ?   ?   873.401   9.5686 0.000000 9.568574 
1 1 1   14   28    7 o  170.365   9.7071  100.855   11.398  110.122   13.759   80.585   20.350  177.930   11.231  151.023   19.958 26.90663 22.90065 
1 1 1   14   28    8 o  309.804   8.0036  332.375   17.161  326.146   22.787  340.537   26.085  306.801   10.732  313.445   12.024 -6.644440 16.11650 
1 1 1   14   28    9 o  552.738   5.4052  1057.68   20.678  1071.09   29.930  1045.44   28.602  556.115   7.7761  549.429   7.5216 6.685486 10.81857 
1 1 1   14   28   10 o  603.130   5.5564  1259.49   23.194  1277.54   33.517  1242.91   32.130  607.267   7.9745  598.998   7.7502 8.269165 11.12019 
1 1 1   14   28   11 o  201.228   8.1983  140.349   11.418  152.421   13.837  114.585   20.214  209.645   9.5361  180.674   16.342 28.97067 18.92090 
1 1 1   14   28   12 o  160.783   8.3792   89.912   9.2922  101.858   12.395   74.585   14.040  170.927   10.529  145.659   14.103 25.26796 17.60018 
1 1 1   14   28   13 o  212.861   6.8808  157.130   10.137  169.823   13.861  142.537   14.863  221.120   9.0574  202.159   10.660 18.96124 13.98844 
1 1 1   14   28   14 o  195.317   6.5040  132.342   8.7922  155.668   13.613  115.647   11.517  211.559   9.2968  182.134   9.1654 29.42577 13.05506 
1 1 1   14   28   15 o  108.949   13.571   42.256   10.011   40.887   12.208   45.068   17.494  106.269   17.184  109.894   23.698 -3.625000 29.27237 
1 1 1   14   28   16 o  200.408   6.4113  139.532   8.8928  153.224   13.721  129.615   11.678  209.529   9.4614  192.831   8.7498 16.69902 12.88709 
1 1 1   14   28   17 o   80.681   17.218   24.149   9.3217   0.0000   0.0000   24.149   9.3217  ?   ?    80.681   17.218 0.000000 17.21807 
1 1 1   14   28   18 o  131.791   9.4353   61.218   8.5494   51.166   11.748   72.537   12.466  118.886   14.583  142.491   12.776 -23.60457 19.38774 
1 1 1   14   28   19 o  171.023   7.4433  102.342   8.8104  103.636   13.171  101.295   11.853  170.573   11.219  169.053   10.178 1.519897 15.14761 
1 1 1   14   30    0 o  152.452   17.665   81.659   18.294   81.659   18.294   0.0000   0.0000  152.452   17.665  ?   ?  0.000000 17.66536 
1 1 1   14   30    1 o  826.812   7.5628  2366.53   43.278  2212.20   71.159  2457.13   54.520  799.132   12.866  842.412   9.3510 -43.28052 15.90502 
1 1 1   14   30    2 o  395.158   6.1704  540.496   16.876  514.146   29.363  553.492   20.622  385.306   11.011  399.859   7.4514 -14.55304 13.29508 
1 1 1   14   30    3 o  931.717   7.1177  3005.09   45.898  2961.95   91.088  3019.77   53.138  924.549   14.235  933.939   8.2207 -9.389709 16.43808 
1 1 1   14   30    4 o  593.118   5.5257  1217.65   22.683  1192.68   46.152  1225.60   26.046  586.804   11.364  595.031   6.3245 -8.227417 13.00514 
1 1 1   14   30    6 o  732.575   6.1504  1857.80   31.184  1836.21   43.990  1879.62   44.213  728.180   8.7286  736.740   8.6708 -8.560669 12.30326 
1 1 1   14   30    7 o  246.012   7.0590  209.550   12.019  224.634   21.281  202.484   14.565  254.585   12.078  241.796   8.7032 12.78886 14.88663 
1 1 1   14   30    8 o  568.866   6.5622  1120.46   25.837  1149.17   31.963  1066.34   43.885  576.032   8.0173  554.657   11.432 21.37579 13.96295 
1 1 1   14   30    9 o  599.178   7.7632  1243.53   32.194   0.0000   0.0000  1243.53   32.194  ?   ?   599.178   7.7632 0.000000 7.763185 
1 1 1   14   30   10 o  266.565   7.8226  246.196   14.432   0.0000   0.0000  246.196   14.432  ?   ?   266.565   7.8226 0.000000 7.822611 
1 1 1   14   30   11 o  332.746   5.8964  383.524   13.579  383.013   17.522  384.293   21.488  332.417   7.6158  332.837   9.3278 -0.4207764 12.04192 
1 1 1   14   30   12 o  236.566   7.9442  194.131   13.007   0.0000   0.0000  194.131   13.007  ?   ?   236.566   7.9442 0.000000 7.944207 
1 1 1   14   30   13 o  503.381   5.2321  878.076   18.228  925.256   26.991  838.510   24.717  516.346   7.5526  491.598   7.2645 24.74805 10.47926 
1 1 1   14   30   14 o  188.765   7.1810  123.715   9.3818  145.561   16.962  114.086   11.261  203.795   12.080  181.102   8.9842 22.69264 15.05437 
1 1 1   14   30   15 o  187.046   6.4719  121.484   8.3783  121.228   13.054  121.663   10.925  186.115   10.173  186.962   8.4432 -0.8468933 13.22023 
1 1 1   14   30   16 o  145.475   7.6722   73.880   7.6974   69.049   11.865   77.390   10.115  139.632   12.407  148.479   9.8994 -8.847443 15.87223 
1 1 1   14   30   17 o   69.396   18.848   18.011   9.2867   24.886   10.592  -4.8346   19.310   81.369   19.130   55.429   24.737 25.93964 31.27091 
1 1 1   14   30   18 o   25.828   12.472 -10.3045   6.7337  -7.4085   10.362 -12.4218   8.8596   37.145   17.166   30.170   14.504 6.975224 22.47280 
1 1 1   14   32    0 o  332.805   6.2476  383.387   14.391  387.659   25.614  381.417   17.396  334.563   11.062  331.929   7.5722 2.633545 13.40514 
1 1 1   14   32    1 o  472.040   5.3533  771.237   17.490  710.244   34.200  792.837   20.352  452.855   10.911  478.591   6.1443 -25.73590 12.52249 
1 1 1   14   32    2 o  289.617   6.6255  290.352   13.281  315.024   24.567  280.165   15.786  301.572   11.770  284.471   8.0179 17.10168 14.24175 
1 1 1   14   32    3 o  702.740   8.6022  1709.91   41.839  1574.15   56.396  1876.10   62.397  674.087   12.088  735.893   12.251 -61.80621 17.21065 
1 1 1   14   32    4 o  734.962   12.674  1871.71   64.470  1871.71   64.470   0.0000   0.0000  734.962   12.674  ?   ?  0.000000 12.67404 
1 1 1   14   32    5 o  772.607   6.3106  2066.43   33.745  2036.58   68.454  2076.01   38.785  766.572   12.902  774.353   7.2367 -7.780945 14.79320 
1 1 1   14   32    7 o  387.554   5.4730  519.954   14.680  530.311   21.639  511.123   19.982  391.316   7.9899  384.188   7.5147 7.127960 10.96853 
1 1 1   14   32    8 o  363.946   6.6612  458.660   16.779  444.174   20.079  492.195   30.549  358.099   8.1013  376.770   11.715 -18.67142 14.24339 
1 1 1   14   32   10 o  312.695   5.4452  338.607   11.785  359.926   17.751  321.806   15.758  322.259   7.9587  304.743   7.4712 17.51547 10.91604 
1 1 1   14   32   11 o  174.402   7.0160  105.427   8.4687   97.084   12.510  112.486   11.506  166.818   10.895  179.800   9.2781 -12.98201 14.30999 
1 1 1   14   32   12 o  180.511   9.1843  113.460   11.436   0.0000   0.0000  113.460   11.436  ?   ?   180.511   9.1843 0.000000 9.184265 
1 1 1   14   32   13 o  387.467   5.6173  520.446   15.064  547.805   26.509  507.398   18.307  396.845   9.6515  382.407   6.9171 14.43851 11.87420 
1 1 1   14   32   14 o  266.125   5.9309  245.690   10.924  246.369   14.801  244.878   16.190  266.219   8.0332  265.290   8.8174 0.9290771 11.92806 
1 1 1   14   32   15 o   92.748   10.692   30.454   6.7378   38.354   10.919   25.597   8.5624  103.033   15.817   83.905   15.308 19.12778 22.01217 
1 1 1   14   32   16 o  114.846   9.0030   46.328   7.0989   67.520   11.325   32.615   9.1107  138.097   11.968   95.028   14.295 43.06923 18.64335 
1 1 1   14   32   17 o   84.260   12.801   25.653   7.2302   22.346   10.430   28.712   10.031   76.904   19.553   87.973   17.091 -11.06861 25.96968 
1 1 1   14   32   18 o   83.929   12.150   25.485   6.8524   24.000   10.854   26.470   8.8359   79.083   19.858   84.437   15.698 -5.354141 25.31332 
1 1 1   14   34    0 o  378.273   10.801  495.610   28.277  495.610   28.277   0.0000   0.0000  378.273   10.801  ?   ?  0.000000 10.80056 
1 1 1   14   34    1 o   72.861   18.235   19.141   9.1735   31.063   18.334   15.160   10.595   93.466   26.895   66.419   20.761 27.04782 33.97548 
1 1 1   14   34    2 o  181.602   9.5128  114.522   11.915  136.732   23.940  107.210   13.737  197.745   17.679  175.555   11.367 22.18953 21.01784 
1 1 1   14   34    3 o  784.427   6.4237  2130.12   34.875  2080.98   69.396  2146.73   40.339  774.909   12.939  787.434   7.4018 -12.52527 14.90666 
1 1 1   14   34    4 o  435.338   5.4395  656.023   16.389  664.878   34.584  653.458   18.612  438.061   11.407  434.468   6.1896 3.593079 12.97790 
1 1 1   14   34    5 o  1167.74   8.4570  4722.38   68.350  4531.71  132.649  4791.30   79.752  1142.69   16.773  1176.08   9.7978 -33.39526 19.42460 
1 1 1   14   34    6 o  655.137   6.6848  1486.06   30.311  1520.98   56.801  1472.17   35.840  662.368   12.390  651.996   7.9423 10.37128 14.71724 
1 1 1   14   34    7 o  780.838   6.3804  2111.09   34.481  2048.78   69.707  2131.28   39.676  768.547   13.105  784.495   7.3073 -15.94745 15.00431 
1 1 1   14   34    8 o  366.217   8.3795  464.649   21.239  451.366   29.342  479.268   30.783  360.744   11.752  371.711   11.965 -10.96759 16.77147 
1 1 1   14   34    9 o  160.325   8.3693   89.326   9.2546   83.871   14.007   93.551   12.329  154.836   13.197  163.848   10.935 -9.011246 17.13840 
1 1 1   14   34   10 o  215.659   7.0863  161.180   10.577  173.997   14.530  146.732   15.427  223.948   9.3742  205.277   10.897 18.67111 14.37451 
1 1 1   14   34   11 o  317.521   5.2564  349.261   11.551  387.547   17.531  319.886   15.356  334.282   7.5775  303.726   7.3051 30.55582 10.52539 
1 1 1   14   34   12 o  411.130   5.0795  585.666   14.454  628.146   21.917  552.974   19.227  425.472   7.4428  399.270   6.9578 26.20212 10.18857 
1 1 1   14   34   13 o  212.665   5.8892  156.843   8.6682  182.088   13.282  138.115   11.440  228.891   8.3843  199.356   8.2915 29.53503 11.79178 
1 1 1   14   34   14 o  219.538   6.5585  167.341   9.9654  193.415   22.192  160.756   11.153  234.327   13.744  215.066   7.4929 19.26132 15.65341 
1 1 1   14   34   15 o   34.712   15.145  -1.1735   6.8604 -27.2488   17.719   3.4247   7.4408   41.527   20.097   42.331   16.878 -0.8034706 26.24408 
1 1 1   14   34   16 o  155.646   7.0478   84.334   7.5922   87.892   10.668   80.683   10.807  158.168   9.7936  151.376   10.378 6.792419 14.26928 
1 1 1   14   34   17 o   32.633   14.278  -1.0872   6.1342   4.9341   9.8791  -4.8654   7.8255   48.575   19.421   33.189   15.184 15.38617 24.65182 
1 1 1   14   34   18 f   87.140   11.415   27.361   6.7191   30.003   10.558   25.562   8.7106   89.086   17.747   82.762   15.783 6.324265 23.75025 
1 1 1   14   36    0 o  1035.41   7.7491  3711.97   55.532  3490.24  104.351  3799.57   65.590  1003.28   15.028  1047.46   9.0475 -44.17932 17.54121 
1 1 1   14   36    1 o  940.349   10.169  3062.86   66.182  2883.42   89.083  3283.90   98.871  911.997   14.113  973.202   14.679 -61.20593 20.36290 
1 1 1   14   36    2 o  705.400   7.1905  1722.77   35.105  1757.07   61.110  1705.87   42.888  712.050   12.400  701.846   8.8291 10.20410 15.22224 
1 1 1   14   36    3 f  212.689   7.5581  156.633   11.126  176.634   24.606  151.493   12.474  225.086   15.897  209.152   8.6171 15.93365 18.08232 
1 1 1   14   36    4 o  600.018   12.004  1247.81   49.852  1247.81   49.852   0.0000   0.0000  600.018   12.004  ?   ?  0.000000 12.00433 
1 1 1   14   36    5 o  245.039   7.4308  207.922   12.602   0.0000   0.0000  207.922   12.602  ?   ?   245.039   7.4308 0.000000 7.430840 
1 1 1   14   36    6 o  507.406   6.4517  891.459   22.657  851.707   40.737  909.264   27.263  495.634   11.875  512.388   7.6878 -16.75485 14.14668 
1 1 1   14   36    7 o  500.531   5.3974  867.380   18.698  787.317   38.149  892.696   21.451  476.475   11.568  507.750   6.1042 -31.27484 13.07988 
1 1 1   14   36    8 o  412.746   6.1204  589.979   17.484  554.634   31.766  605.339   20.941  399.816   11.480  418.022   7.2381 -18.20593 13.57094 
1 1 1   14   36    9 o  188.693   17.613  125.268   22.736  125.268   22.736   0.0000   0.0000  188.693   17.613  ?   ?  0.000000 17.61332 
1 1 1   14   36   10 o  301.421   5.0578  314.686   10.552  336.244   26.426  310.597   11.509  310.906   12.281  299.430   5.5534 11.47610 13.47804 
1 1 1   14   36   11 o  150.462   7.8768   78.769   8.1741   75.610   12.734   80.984   10.660  146.766   12.660  152.297   10.172 -5.530319 16.24010 
1 1 1   14   36   13 o  254.963   6.1912  225.548   10.925  234.927   23.245  222.889   12.377  258.739   13.022  253.357   7.0586 5.382431 14.81224 
1 1 1   14   36   14 o   48.623   15.559   8.1860   5.9200   1.0723   10.222   11.776   7.2617   45.164   19.066   57.225   17.054 -12.06137 25.58069 
1 1 1   14   36   15 o  111.232   8.7994   43.427   6.7189   37.257   10.347   47.927   8.8353  101.500   15.196  116.424   11.099 -14.92372 18.81761 
1 1 1   14   36   16 o  112.443   8.2055   44.365   6.3417   40.504   10.192   46.804   8.1009  105.920   14.266  115.070   10.280 -9.150146 17.58373 
1 1 1   14   36   17 o   38.149   14.834   3.4304   5.6241   14.506   8.9525  -3.7903   7.2285   62.518   19.005   32.577   14.783 29.94101 24.07754 
1 1 1   14   38    0 o  523.330   6.5276  948.177   23.643  897.561   39.206  977.104   29.639  508.958   11.130  531.192   8.0619 -22.23425 13.74314 
1 1 1   14   38    1 o  652.655   7.0350  1474.82   31.778  1452.68   53.472  1486.90   39.513  647.425   11.933  655.233   8.7129 -7.808350 14.77561 
1 1 1   14   38    2 f  581.481   5.7902  1170.51   23.303  1114.63   45.322  1190.59   27.169  567.126   11.547  586.412   6.6942 -19.28546 13.34676 
1 1 1   14   38    3 o  508.177   6.5075  894.101   22.888   0.0000   0.0000  894.101   22.888  ?   ?   508.177   6.5075 0.000000 6.507491 
1 1 1   14   38    4 o  784.940   7.4584  2133.63   40.519   0.0000   0.0000  2133.63   40.519  ?   ?   784.940   7.4584 0.000000 7.458446 
1 1 1   14   38    5 o  372.260   5.6892  479.771   14.658  455.366   31.502  486.515   16.560  362.354   12.561  374.845   6.3831 -12.49094 14.08978 
1 1 1   14   38    6 o  383.686   5.6255  509.704   14.939  483.268   32.098  517.012   16.878  373.238   12.426  386.402   6.3111 -13.16345 13.93657 
1 1 1   14   38    7 o  374.989   5.4848  486.898   14.235  438.488   29.639  501.413   16.229  355.463   12.047  380.508   6.1626 -25.04559 13.53188 
1 1 1   14   38    8 o  301.858   12.721  316.585   26.576  316.585   26.576   0.0000   0.0000  301.858   12.721  ?   ?  0.000000 12.72053 
1 1 1   14   38    9 o  620.193   5.6400  1332.42   24.209  1266.34   49.723  1352.96   27.717  603.561   11.903  624.861   6.4088 -21.29993 13.51866 
1 1 1   14   38   10 o  112.321   9.7588   44.153   7.5110   42.498   19.377   44.446   8.1479  107.257   26.304  112.586   10.581 -5.328781 28.35211 
1 1 1   14   38   11 o  380.692   5.3860  502.256   14.191   0.0000   0.0000  502.256   14.191  ?   ?   380.692   5.3860 0.000000 5.386032 
1 1 1   14   38   12 o   83.768   14.529   25.280   8.1180  -4.1380   18.254   32.533   9.0635   55.436   24.431   95.372   14.161 -39.93692 28.23829 
1 1 1   14   38   13 o  174.918   5.4171  106.117   6.5582   98.683   18.902  107.134   6.9925  166.350   16.641  175.730   5.7493 -9.380234 17.60576 
1 1 1   14   38   14 o  290.218   4.8660  292.118   9.7740  280.695   14.338  302.035   13.359  284.097   7.2918  294.840   6.5466 -10.74283 9.799457 
1 1 1   14   38   15 o  248.911   5.0978  215.047   8.7823  191.162   12.756  236.571   12.109  234.199   7.8696  260.787   6.7089 -26.58755 10.34120 
1 1 1   14   38   16 o  177.207   5.6707  109.164   6.9550   94.591   10.441  120.786   9.3247  164.093   9.2312  186.137   7.2381 -22.04352 11.73050 
1 1 1   14   38   17 o  129.236   6.9471   58.463   6.1911   51.512   10.956   61.724   7.5042  119.385   13.496  132.505   8.2233 -13.11947 15.80397 
1 1 1   14   40    0 o   78.080   17.700   22.019   9.3445   30.695   12.480   10.949   14.097   92.184   20.125   64.092   23.819 28.09223 31.18255 
1 1 1   14   40    1 o  324.870   6.2634  365.405   14.083  371.171   27.604  363.375   16.375  327.206   12.189  323.939   7.3034 3.266998 14.20965 
1 1 1   14   40    2 o  310.453   7.1077  333.745   15.272  331.902   27.241  334.589   18.443  309.378   12.722  310.800   8.5739 -1.422485 15.34153 
1 1 1   14   40    3 o  259.462   9.4157  233.244   16.908   0.0000   0.0000  233.244   16.908  ?   ?   259.462   9.4157 0.000000 9.415712 
1 1 1   14   40    4 o  659.781   7.0165  1507.52   32.041  1450.73   55.754  1535.52   39.151  646.733   12.456  665.768   8.4966 -19.03528 15.07775 
1 1 1   14   40    5 o  250.640   8.5463  217.660   14.825  214.829   26.003  219.023   18.046  248.217   15.210  251.352   10.373 -3.134705 18.41026 
1 1 1   14   40    6 o  410.253   5.5432  582.793   15.739  518.537   31.549  604.085   18.161  386.562   11.792  417.643   6.2828 -31.08185 13.36127 
1 1 1   14   40    7 o  305.529   5.9510  323.316   12.584  307.951   26.623  327.737   14.280  297.702   12.921  307.574   6.7080 -9.872009 14.55864 
1 1 1   14   40    8 o  230.231   6.3592  183.659   10.133  190.732   23.866  182.103   11.192  233.518   14.844  229.221   7.0547 4.297104 16.43507 
1 1 1   14   40    9 o  237.219   6.7232  195.070   11.038  193.951   22.753  195.415   12.623  235.451   14.026  237.365   7.6838 -1.914917 15.99284 
1 1 1   14   40   10 o  133.723   7.9150   62.277   7.2928   85.805   22.380   59.482   7.7139  154.421   21.525  130.602   8.5816 23.81905 23.17281 
1 1 1   14   40   11 o  327.980   4.9192  372.770   11.167  411.220   28.209  365.625   12.160  343.343   11.871  324.775   5.4097 18.56726 13.04531 
1 1 1   14   40   12 o  234.942   6.6229  191.596   10.769  216.049   22.865  184.626   12.208  247.983   13.371  230.512   7.6521 17.47153 15.40614 
1 1 1   14   40   13 o   97.586   7.6396   33.317   5.1187   29.395   17.615   33.679   5.3495   88.759   26.587   98.073   7.9495 -9.313934 27.74953 
1 1 1   14   40   14 o  137.962   5.7825   66.094   5.5215   43.639   17.306   68.639   5.8259  107.272   23.919  140.575   5.9880 -33.30262 24.65748 
1 1 1   14   40   15 o  113.496   5.4949   44.746   4.3164   30.624   17.542   45.656   4.4533   89.150   26.493  114.635   5.6129 -25.48473 27.08058 
1 1 1   14   40   16 o  159.591   13.833   91.371   15.128   96.146   19.837   84.732   23.388  161.809   18.019  148.891   23.474 12.91823 29.59213 
1 1 1   14   42    0 o  532.720   5.5895  982.516   20.608  944.704   28.059  1026.81   30.368  522.260   7.7625  544.464   8.0587 -22.20386 11.18927 
1 1 1   14   42    1 o  848.422   6.8806  2492.70   40.403  2370.73   77.265  2538.61   47.400  826.593   13.506  856.095   7.9998 -29.50244 15.69711 
1 1 1   14   42    2 o  159.692   11.426   88.875   12.546   0.0000   0.0000   88.875   12.546  ?   ?   159.692   11.426 0.000000 11.42637 
1 1 1   14   42    3 f  428.374   6.5330  635.473   19.369  588.781   32.760  660.568   24.017  412.036   11.488  436.678   7.9465 -24.64191 13.96821 
1 1 1   14   42    4 o  387.179   5.9128  519.094   15.845  489.756   32.907  527.949   18.078  375.651   12.657  390.432   6.6901 -14.78131 14.31607 
1 1 1   14   42    5 o  238.396   7.2433  196.892   11.951  195.610   25.431  197.255   13.540  236.633   15.616  238.579   8.1997 -1.945404 17.63746 
1 1 1   14   42    6 o  304.940   6.1234  322.097   12.924  265.073   26.367  340.129   14.827  276.102   13.798  313.323   6.8372 -37.22125 15.39879 
1 1 1   14   42    7 o  263.098   7.3919  239.943   13.460  214.439   25.704  249.579   15.800  247.623   15.069  268.257   8.5099 -20.63342 17.30628 
1 1 1   14   42    8 o   91.725   13.829   29.964   8.5065   43.220   20.739   27.282   9.3271  108.195   27.605   87.029   16.077 21.16568 31.94586 
1 1 1   14   42    9 o  406.941   6.0581  574.009   17.063  573.659   32.473  574.142   20.054  405.943   11.558  406.861   7.1217 -0.9181213 13.57579 
1 1 1   14   42   10 o  176.521   6.4740  108.073   7.9095   78.732   20.476  113.219   8.5750  147.850   20.567  180.650   6.8583 -32.80008 21.68070 
1 1 1   14   42   11 o  207.285   5.6341  148.995   8.0829  164.537   22.163  146.610   8.6808  216.013   14.916  205.583   6.1009 10.42946 16.11502 
1 1 1   14   42   12 o  135.693   8.9742   64.392   8.3805   72.683   18.418   62.227   9.4112  141.707   19.279  133.161   10.291 8.546112 21.85430 
1 1 1   14   42   13 o  185.367   5.5420  119.252   7.1102  116.976   19.674  119.594   7.6256  181.081   15.858  185.593   5.9366 -4.512482 16.93239 
1 1 1   14   42   14 o  256.947   4.4628  228.990   7.9365  188.585   21.011  235.715   8.5716  230.804   13.208  260.652   4.7514 -29.84853 14.03665 
1 1 1   14   42   15 o   49.123   20.811   1.7058   12.248  -9.4585   15.786   18.590   19.414   46.634   21.419   75.196   27.950 -28.56155 35.21357 
1 1 1   14   42   16 o   34.279   16.722 -22.0363   12.934 -16.4781   17.665 -28.4585   18.989   45.507   21.475   42.443   20.604 3.063877 29.76039 
1 1 1   14   44    0 o  243.803   6.6356  205.857   11.197  201.169   15.277  211.299   16.459  240.924   9.1618  246.896   9.6317 -5.971924 13.29313 
1 1 1   14   44    1 o  244.200   7.5342  206.580   12.734  208.342   20.420  205.459   16.289  245.042   12.040  243.455   9.6671 1.587158 15.44094 
1 1 1   14   44    2 o  160.413   9.9326   89.558   10.973   93.659   21.721   88.153   12.715  162.749   19.683  158.975   11.637 3.774841 22.86603 
1 1 1   14   44    3 o  172.594   10.389  103.691   12.353   83.756   21.376  113.685   15.136  153.551   20.636  180.562   12.183 -27.01147 23.96390 
1 1 1   14   44    4 o  188.201   8.9878  122.804   11.707  111.854   25.164  125.829   13.226  177.700   20.857  190.193   10.083 -12.49306 23.16676 
1 1 1   14   44    5 o  328.973   6.1781  374.901   14.067  320.439   29.591  390.802   15.989  303.484   14.088  335.836   6.8788 -32.35178 15.67751 
1 1 1   14   44    6 o  269.346   9.7539  251.811   18.183  278.976   26.024  225.902   25.416  283.138   13.280  254.245   14.504 28.89313 19.66523 
1 1 1   14   44    7 o  418.337   6.3521  606.529   18.392  551.219   32.140  633.457   22.426  398.099   11.665  427.386   7.5816 -29.28760 13.91225 
1 1 1   14   44    8 o  254.602   6.2430  224.704   11.001  187.512   23.508  235.132   12.448  231.220   14.767  260.393   6.9072 -29.17291 16.30252 
1 1 1   14   44    9 o  146.054   10.336   74.593   10.381   0.0000   0.0000   74.593   10.381  ?   ?   146.054   10.336 0.000000 10.33615 
1 1 1   14   44   10 o  188.949   6.3991  123.858   8.3684   83.756   20.224  132.143   9.1922  152.625   19.598  195.133   6.8063 -42.50838 20.74660 
1 1 1   14   44   11 o  183.813   5.9909  117.229   7.6216   87.415   19.483  122.616   8.2816  156.022   18.396  187.957   6.3662 -31.93527 19.46608 
1 1 1   14   44   12 o  135.872   9.0006   64.614   8.4161   68.634   17.831   63.462   9.5464  137.415   19.278  134.407   10.342 3.007721 21.87711 
1 1 1   14   44   13 o  167.642   5.2723   97.538   6.1173  109.463   18.169   96.014   6.4966  175.157   15.136  166.291   5.6447 8.865662 16.15446 
1 1 1   14   44   14 o  116.435   16.535   49.382   12.951   50.829   17.499   47.629   19.257  115.830   22.639  110.874   25.611 4.956635 34.18242 
1 1 1   14   44   15 o  211.008   16.001  160.927   23.194   0.0000   0.0000  160.927   23.194  ?   ?   211.008   16.001 0.000000 16.00066 
1 1 1   14   46    0 o  133.741   12.452   62.654   11.394   58.563   13.224   74.439   22.446  128.877   15.112  143.987   23.321 -15.10957 27.78927 
1 1 1   14   46    1 o  287.005   8.9465  285.597   17.771   0.0000   0.0000  285.597   17.771  ?   ?   287.005   8.9465 0.000000 8.946508 
1 1 1   14   46    2 o  470.771   6.4612  767.752   21.052  726.829   36.219  788.632   25.872  457.543   11.437  477.013   7.8364 -19.46951 13.86453 
1 1 1   14   46    3 o  219.956   10.027  167.882   15.265  220.342   24.455  134.398   19.538  251.264   14.120  195.984   14.507 55.27953 20.24412 
1 1 1   14   46    4 o  346.952   6.0006  417.019   14.409  403.122   28.080  421.986   16.788  340.582   11.912  348.948   6.9512 -8.365692 13.79209 
1 1 1   14   46    5 o  496.638   6.5366  854.780   22.468  835.122   40.045  863.812   27.143  490.094   11.806  499.094   7.8577 -9.000427 14.18171 
1 1 1   14   46    6 f  355.249   5.9352  437.320   14.593  398.000   30.125  449.376   16.681  338.055   12.876  360.046   6.6940 -21.99088 14.51168 
1 1 1   14   46    7 o   96.277   14.167   33.034   9.1579   31.239   20.850   33.463   10.194   93.342   29.115   96.592   15.794 -3.250237 33.12325 
1 1 1   14   46    8 o  188.519   8.5475  123.447   11.153   0.0000   0.0000  123.447   11.153  ?   ?   188.519   8.5475 0.000000 8.547535 
1 1 1   14   46    9 o   85.540   13.122   26.155   7.5204   17.927   18.126   27.865   8.2654   75.617   27.180   88.170   14.013 -12.55352 30.58027 
1 1 1   14   46   10 o   94.785   10.918   31.753   7.0316   10.478   19.190   35.053   7.5571   68.717   27.197   99.606   11.154 -30.88901 29.39524 
1 1 1   14   46   11 o   82.522   11.331   24.246   6.3010   24.600   17.033   24.190   6.7821   82.390   26.394   82.225   12.295 0.1655350 29.11738 
1 1 1   14   46   12 o   53.053   18.092   9.3669   7.9641   7.7220   16.761   9.8466   9.0512   62.441   25.179   55.103   19.264 7.337494 31.70263 
1 1 1   14   46   13 o  157.513   5.4422   86.154   5.9329   98.341   19.885   84.963   6.2161  164.744   17.718  156.390   5.7429 8.353958 18.62585 
1 1 1   14   46   14 o  172.267   17.866  108.244   20.992   0.0000   0.0000  108.244   20.992  ?   ?   172.267   17.866 0.000000 17.86624 
1 1 1   14   46   15 o  155.735   13.406   87.107   14.309   82.049   19.930   92.488   20.557  147.917   19.979  157.582   19.249 -9.665543 27.74297 
1 1 1   14   48    0 o  341.463   5.7826  403.898   13.666  399.900   18.970  408.212   19.704  339.607   8.0709  343.099   8.2977 -3.491852 11.57546 
1 1 1   14   48    1 o  308.508   5.8781  329.715   12.551  351.002   17.258  305.817   18.286  318.180   7.8370  296.914   8.8985 21.26584 11.85757 
1 1 1   14   48    2 o  585.806   6.7061  1189.26   27.189  1183.42   47.362  1192.14   33.206  583.503   11.728  586.308   8.1831 -2.804932 14.30033 
1 1 1   14   48    3 o  291.894   6.5006  295.272   13.133  233.463   24.956  318.943   15.444  258.505   14.001  303.307   7.3571 -44.80255 15.81605 
1 1 1   14   48    4 o  168.675   11.754   99.434   13.637  106.927   21.143   94.098   17.844  173.883   17.820  163.368   15.986 10.51485 23.93999 
1 1 1   14   48    5 o  374.779   8.7703  487.596   22.749  480.683   32.028  494.634   32.318  371.522   12.456  376.887   12.389 -5.365540 17.56837 
1 1 1   14   48    6 o  250.825   7.8936  218.336   13.703   0.0000   0.0000  218.336   13.703  ?   ?   250.825   7.8936 0.000000 7.893565 
1 1 1   14   48    7 o  233.918   10.161  190.369   16.450   0.0000   0.0000  190.369   16.450  ?   ?   233.918   10.161 0.000000 10.16092 
1 1 1   14   48    8 o  398.699   5.4491  551.065   15.036  492.195   30.447  570.054   17.292  375.606   11.712  405.410   6.1629 -29.80460 13.23453 
1 1 1   14   48    9 o  276.010   5.7052  264.219   10.899  240.732   24.096  270.260   12.220  261.831   13.341  279.076   6.3267 -17.24512 14.76533 
1 1 1   14   48   10 o  107.989   11.088   41.166   8.1695   32.815   18.831   43.102   9.0672   93.521   27.357  110.330   12.071 -16.80865 29.90178 
1 1 1   14   48   11 o  283.409   12.183  281.805   23.897  281.805   23.897   0.0000   0.0000  283.409   12.183  ?   ?  0.000000 12.18308 
1 1 1   14   48   12 o  120.492   10.657   51.249   8.7953   83.951   18.279   41.396   10.033  152.251   17.675  107.426   13.814 44.82513 22.43310 
1 1 1   14   48   13 o   87.333   7.7326   26.802   4.6256   37.863   19.168   26.118   4.7665   98.293   27.235   86.140   8.0897 12.15356 28.41133 
1 1 1   14   48   14 o   55.095   21.653   7.5544   12.084   14.068   16.837   0.6341   17.354   67.816   25.848   55.992   24.261 11.82386 35.45089 
1 1 1   14   50    0 f  141.607   9.7361   69.964   9.4842   73.420   12.797   65.754   14.127  144.644   12.919  136.432   15.220 8.211700 19.96354 
1 1 1   14   50    1 o  220.718   8.1746  169.011   12.488  170.128   14.444  165.707   24.848  221.354   9.4282  217.071   16.666 4.282425 19.14825 
1 1 1   14   50    2 o  418.687   5.5113  607.352   15.971  582.678   21.422  638.228   23.963  409.880   7.5513  428.906   8.0724 -19.02530 11.05378 
1 1 1   14   50    3 o  349.560   6.9370  423.695   16.783  376.732   27.801  450.624   21.052  328.935   12.212  360.326   8.4415 -31.39151 14.84523 
1 1 1   14   50    4 o  203.907   8.1579  144.309   11.513  144.439   22.932  144.266   13.312  202.429   16.512  203.774   9.4389 -1.345734 19.01919 
1 1 1   14   50    5 o  213.978   7.9383  158.933   11.756  173.561   24.739  154.666   13.362  221.967   16.215  210.980   9.1504 10.98672 18.61897 
1 1 1   14   50    6 o  103.285   15.849   38.245   10.968 -17.8976   21.571   57.820   12.738   52.751   24.513  127.711   14.677 -74.96030 28.57149 
1 1 1   14   50    7 o  297.283   7.5114  306.879   15.455  306.195   27.321  307.201   18.742  295.870   13.342  297.201   9.1115 -1.331390 16.15628 
1 1 1   14   50    8 o  282.642   6.0009  277.134   11.739  255.854   25.240  283.007   13.260  270.227   13.495  285.533   6.7100 -15.30576 15.07133 
1 1 1   14   50    9 o  232.281   6.3365  187.300   10.187  180.342   22.924  189.012   11.371  225.909   14.743  233.253   7.0437 -7.344589 16.33883 
1 1 1   14   50   10 o  116.291   11.611   47.823   9.2202   33.410   17.905   53.024   10.756   93.892   26.432  122.215   12.911 -28.32325 29.41705 
1 1 1   14   50   11 o   67.508   14.236   16.686   6.4418   24.478   18.203   15.571   6.8875   82.106   27.352   64.996   15.524 17.11063 31.45069 
1 1 1   14   50   12 o  208.006   7.3193  150.712   10.537  152.195   21.979  150.269   12.007  206.152   15.518  207.493   8.3609 -1.340652 17.62745 
1 1 1   14   50   13 o   79.919   8.5453   22.584   4.6534   0.0000   0.0000   22.584   4.6534  ?   ?    79.919   8.5453 0.000000 8.545316 
1 1 1   14   50   14 o  137.001   15.251   68.373   14.216   70.098   21.045   66.927   19.278  134.428   23.474  132.234   21.826 2.194077 32.05324 
1 1 1   14   52    0 o  224.520   6.8114  174.808   10.584  161.438   14.235  191.340   15.829  215.548   9.5417  234.642   9.7472 -19.09398 13.64011 
1 1 1   14   52    1 o  105.888   12.230   39.574   8.7982   32.653   11.862   48.039   13.118   94.789   18.744  115.916   16.845 -21.12650 25.20101 
1 1 1   14   52    2 o  220.905   7.9185  169.370   12.107  181.046   13.960  133.951   24.314  228.311   8.8348  194.405   18.286 33.90565 20.30803 
1 1 1   14   52    3 o   94.495   16.145   32.142   10.180   50.390   20.124   25.867   11.801  116.653   25.626   83.954   20.490 32.69901 32.81057 
1 1 1   14   52    4 o  251.411   7.0915  219.313   12.340  227.268   23.991  216.452   14.389  254.662   13.661  249.640   8.3279 5.022507 15.99936 
1 1 1   14   52    5 o  232.657   8.0949  188.021   13.035  210.244   25.100  179.815   15.253  244.497   14.904  227.339   9.6940 17.15770 17.77934 
1 1 1   14   52    6 o  216.305   7.5682  162.496   11.330  176.488   23.615  158.312   12.914  223.677   15.347  213.374   8.7444 10.30302 17.66357 
1 1 1   14   52    7 o  238.604   7.0240  197.697   11.599  163.268   24.267  207.892   13.206  214.587   16.465  244.581   7.8012 -29.99376 18.21989 
1 1 1   14   52    8 o   94.897   14.579   32.380   9.2691   33.205   21.173   32.185   10.310   94.460   29.320   94.162   16.416 0.2980042 33.60257 
1 1 1   14   52    9 o   80.606   14.900   23.620   8.0063   31.054   18.351   21.872   8.8978   90.883   27.117   77.051   17.129 13.83154 32.07342 
1 1 1   14   52   10 o   50.236   16.980   8.4501   7.0147   43.288   17.205   1.5042   7.6823  106.863   23.865   40.116   16.704 66.74709 29.12996 
1 1 1   14   52   11 o  169.038   6.9237   99.444   8.1002  145.902   22.327   92.402   8.6925  201.661   16.132  162.832   7.7131 38.82829 17.88068 
1 1 1   14   52   12 o   99.091   15.121   35.770   10.042   0.0000   0.0000   35.770   10.042  ?   ?    99.091   15.121 0.000000 15.12064 
1 1 1   14   52   13 o  148.529   5.6176   76.744   5.7748   97.512   20.224   74.900   6.0257  162.544   18.295  146.689   5.9352 15.85466 19.23385 
1 1 1   14   54    0 o  167.900   8.2872   97.913   9.6302   98.840   13.015   96.791   14.316  168.065   11.254  166.084   12.547 1.981339 16.85461 
1 1 1   14   54    1 o  256.398   6.2727  227.982   11.131  244.394   15.381  209.932   16.130  265.246   8.3781  245.704   9.4853 19.54272 12.65557 
1 1 1   14   54    2 o   64.021   18.443   14.781   8.6174   26.562   11.229  -2.0998   13.441   85.074   19.489   48.684   21.222 36.38999 28.81288 
1 1 1   14   54    3 o  120.934   12.463   51.595   10.282   44.257   11.789   74.927   21.021  111.234   15.753  143.676   21.826 -32.44196 26.91769 
1 1 1   14   54    4 o   83.365   17.902   25.428   10.020   34.102   19.587   22.354   11.662   95.854   27.862   77.991   21.095 17.86286 34.94691 
1 1 1   14   54    5 o  244.747   8.2226  208.228   13.929   0.0000   0.0000  208.228   13.929  ?   ?   244.747   8.2226 0.000000 8.222636 
1 1 1   14   54    6 o  105.118   13.958   39.430   9.9035   41.351   21.345   38.903   11.180  104.478   28.657  103.906   16.064 0.5715714 32.85250 
1 1 1   14   54    7 o  217.650   7.4203  164.661   11.178  143.756   23.336  170.886   12.734  200.835   16.946  221.602   8.3024 -20.76747 18.87097 
1 1 1   14   54    8 o   99.937   21.734   37.306   14.604   0.0000   0.0000   37.306   14.604  ?   ?    99.937   21.734 0.000000 21.73357 
1 1 1   14   54    9 o  111.279   10.974   43.783   8.3417   53.512   18.765   41.387   9.3124  119.210   23.579  107.761   12.732 11.44878 26.79657 
1 1 1   14   54   10 o  193.870   6.7218  130.751   9.0194  141.219   21.823  128.594   9.9049  198.482   16.022  192.150   7.4479 6.331497 17.66892 
1 1 1   14   54   11 o   78.391   13.664   22.380   7.1438   5.7024   21.855   24.375   7.5591   66.160   27.901   81.843   13.838 -15.68284 31.14445 
1 1 1   14   54   12 o  107.656   8.7963   40.858   6.4969   27.200   19.314   42.601   6.8989   84.142   28.176  109.860   9.1567 -25.71724 29.62652 
1 1 1   14   56    0 o   94.287   14.628   31.882   9.2364   50.477   12.981   12.815   13.145  118.754   16.218   64.471   23.149 54.28345 28.26477 
1 1 1   14   56    1 o  163.684   9.4341   93.547   10.642   93.093   13.070   94.439   18.333  162.905   11.670  163.009   16.476 -0.1040955 20.19007 
1 1 1   14   56    2 f  167.774   8.3802   97.855   9.7309   97.288   12.875   98.612   14.861  166.616   11.230  167.413   12.926 -0.7965088 17.12304 
1 1 1   14   56    3 o  258.264   7.1402  231.624   12.763  225.390   14.931  248.537   24.593  254.585   8.4738  266.043   13.399 -11.45767 15.85386 
1 1 1   14   56    4 o  107.575   15.667   41.560   11.322   0.0000   0.0000   41.560   11.322  ?   ?   107.575   15.667 0.000000 15.66748 
1 1 1   14   56    5 o   70.230   19.108   18.129   9.5350   39.366   18.607   10.566   11.104  102.068   26.205   58.838   21.257 43.22968 33.74279 
1 1 1   14   56    6 o  264.117   7.4213  242.525   13.566  225.902   24.755  249.660   16.218  252.975   14.196  267.732   8.7523 -14.75687 16.67735 
1 1 1   14   56    7 o  140.410   10.362   69.269   9.9988   77.902   20.718   66.647   11.416  145.715   21.162  137.326   12.136 8.388794 24.39538 
1 1 1   14   56    8 o  179.738   8.9197  112.716   11.096  120.146   21.147  109.894   13.034  182.941   16.893  176.846   10.700 6.095047 19.99619 
1 1 1   14   56    9 o  157.719   8.3833   87.024   9.1183   84.146   21.476   87.656   10.071  150.838   21.153  158.110   9.2435 -7.272125 23.08464 
1 1 1   14   56   10 o   96.498   12.061   33.319   7.8790   0.4822   19.846   39.464   8.5846   59.810   25.930  105.150   12.011 -45.33982 28.57729 
1 1 1   14   56   11 o   37.345   16.199  -0.6421   7.7528 -32.4488   18.694   5.9651   8.5201   40.689   19.903   47.731   18.341 -7.042049 27.06555 
1 1 1   14   58    0 o  157.534   9.5865   86.775   10.403   86.213   12.734   87.902   18.037  156.600   11.836  156.895   16.876 -0.2942963 20.61254 
1 1 1   14   58    1 o  113.906   14.454   46.288   11.138   67.415   20.223   37.089   13.345  135.493   22.344  100.420   19.904 35.07249 29.92370 
1 1 1   14   58    2 f  196.617   7.3053  134.325   9.9411  130.972   13.236  138.665   15.057  193.569   9.9130  198.967   10.976 -5.397263 14.79022 
1 1 1   14   58    3 o  160.298   9.0188   89.773   9.9652   94.195   15.071   86.338   13.283  163.282   13.456  156.535   12.361 6.746887 18.27209 
1 1 1   14   58    4 o   59.315   19.653   12.057   9.4020   39.351   19.062   3.2821   10.808  101.773   26.721   48.807   20.018 52.96616 33.38706 
1 1 1   14   58    5 o  222.564   7.6219  172.312   11.741  199.463   22.884  162.612   13.678  237.614   13.976  215.961   9.1511 21.65338 16.70583 
1 1 1   14   58    6 o  206.351   7.8632  148.240   11.230   98.488   22.152  165.449   13.028  164.526   19.856  217.865   8.6402 -53.33896 21.65398 
1 1 1   14   58    7 o   79.226   19.772   23.478   10.807   7.4683   19.625   30.446   12.947   65.620   26.951   89.984   21.147 -24.36402 34.25676 
1 1 1   14   58    8 o  151.634   9.3333   80.680   9.7476   98.049   21.562   76.218   10.928  163.743   19.403  147.016   10.816 16.72795 22.21400 
1 1 1   14   58    9 o   93.632   21.434   33.326   13.590   0.0000   0.0000   33.326   13.590  ?   ?    93.632   21.434 0.000000 21.43369 
1 1 1   14   58   10 o   50.333   18.147   7.9841   8.0857   0.0000   0.0000   7.9841   8.0857  ?   ?    50.333   18.147 0.000000 18.14671 
1 1 1   14   60    0 o   32.183   15.039  -7.8379   8.3018 -20.8171   10.881   10.244   12.843   30.857   15.113   60.408   22.678 -29.55129 27.25231 
1 1 1   14   60    1 o   78.990   16.867   22.923   8.9410   21.727   11.789   24.542   13.719   76.578   21.409   81.239   23.231 -4.661552 31.59148 
1 1 1   14   60    2 o  185.792   7.7229  120.087   9.9308  121.819   13.569  118.089   14.574  186.411   10.560  183.294   11.547 3.116501 15.64783 
1 1 1   14   60    3 o  274.509   8.2352  262.405   15.646  262.405   15.646   0.0000   0.0000  274.509   8.2352  ?   ?  0.000000 8.235201 
1 1 1   14   60    4 o  153.693   10.376   82.962   10.973   69.619   12.601  124.829   22.321  140.080   13.151  186.425   17.504 -46.34436 21.89420 
1 1 1   14   60    5 o   94.629   16.037   32.619   10.128   46.829   19.595   27.438   11.831  110.489   26.049   85.613   20.279 24.87677 33.01186 
1 1 1   14   60    6 o   47.733   19.919   2.3314   10.957  -8.9902   20.154   7.0818   13.055   54.405   24.687   56.499   22.410 -2.094494 33.34114 
1 1 1   14   60    7 o   48.454   19.459   4.5246   9.9669   16.761   19.067  -0.0761   11.691   73.465   27.622   46.522   20.036 26.94326 34.12328 
1 1 1   14   60    8 o  172.917   8.4555  104.474   10.119   81.561   21.304  111.150   11.499  147.739   21.463  177.923   9.3713 -30.18451 23.41971 
1 1 1   14   60    9 o  111.733   24.880   48.829   18.746   0.0000   0.0000   48.829   18.746  ?   ?   111.733   24.880 0.000000 24.87961 
1 1 1   14   62    0 o  207.574   7.3846  149.913   10.609  157.538   14.440  140.971   15.638  212.346   9.8255  200.251   11.330 12.09497 14.99678 
1 1 1   14   62    1 o   46.267   18.203   4.6520   8.5491   10.776   11.524  -2.8442   12.750   59.333   21.622   46.250   20.398 13.08211 29.72552 
1 1 1   14   62    2 o  165.265   10.454   95.946   11.896   60.195   22.202  110.342   14.088  125.455   26.405  176.990   11.565 -51.53500 28.82678 
1 1 1   14   62    3 o  167.930   8.0283   98.260   9.3310   95.044   12.793  101.916   13.639  164.232   11.324  170.001   11.663 -5.769409 16.25599 
1 1 1   14   62    4 o   52.970   18.404   9.2005   8.2554  -0.0826   11.327   19.719   12.057   45.908   19.746   72.992   22.026 -27.08439 29.58122 
1 1 1   14   62    5 o   62.082   19.661   13.859   9.4720   25.249   19.005   10.095   10.926   82.969   27.949   57.435   21.035 25.53489 34.98026 
1 1 1   14   62    6 f   81.745   17.444   24.864   9.5686 -15.8683   18.244   40.320   11.238   47.297   22.164  105.170   15.939 -57.87312 27.29972 
1 1 1   14   62    7 o   88.205   16.010   28.671   9.4139  -3.6215   18.629   39.745   10.909   55.012   24.440  104.367   15.580 -49.35543 28.98325 
1 1 1   14   62    8 o   92.093   17.429   31.643   10.702   0.0000   0.0000   31.643   10.702  ?   ?    92.093   17.429 0.000000 17.42891 
1 1 1   14   64    0 o   80.193   17.033   23.803   9.1620   33.349   12.281   11.824   13.758   94.577   19.413   62.988   23.506 31.58914 30.48587 
1 1 1   14   64    1 o  104.382   14.252   39.249   10.027   59.220   15.813   25.821   12.967  127.149   18.513   82.604   22.203 44.54513 28.90849 
1 1 1   14   64    2 o   62.512   18.452   14.336   8.5326   8.4048   11.612   21.297   12.580   56.008   21.438   75.474   22.436 -19.46613 31.03155 
1 1 1   14   64    3 o  142.549   9.3878   71.380   9.2102   55.576   12.357   91.134   13.815  124.309   14.643  160.270   12.555 -35.96130 19.28868 
1 1 1   14   64    4 o  123.425   10.391   53.817   8.7936   52.022   11.900   55.976   13.051  120.147   14.612  124.394   15.495 -4.246086 21.29795 
1 1 1   14   64    5 o  145.844   12.423   75.692   12.420   68.049   20.534   80.102   15.597  133.909   22.983  149.016   15.342 -15.10661 27.63333 
1 1 1   14   64    6 o  114.193   12.322   46.657   9.5841   17.902   18.510   57.191   11.203   73.445   27.293  126.335   12.998 -52.88929 30.23019 
1 1 1   14   66    0 o   31.492   15.564 -26.8205   12.429 -28.6049   15.589 -23.7073   20.591   36.900   18.077   47.317   22.575 -10.41676 28.92034 
1 1 1   14   66    1 o  109.315   12.276   42.694   9.1276   45.691   12.369   39.111   13.525  111.799   16.479  102.090   19.857 9.709290 25.80431 
1 1 1   14   66    2 o  165.909   8.3848   96.428   9.5969  103.113   12.810   87.876   14.489  170.879   10.888  156.843   13.478 14.03592 17.32654 
1 1 1   14   66    3 o   38.731   17.493  -4.5147   9.9824 -40.0293   17.390   12.938   12.191   36.144   17.958   62.394   22.305 -26.24997 28.63597 
1 1 1   14   66    4 o   41.643   17.923   0.0002   9.3432  -0.7443   11.338   1.5756   16.493   44.910   19.535   55.546   23.858 -10.63532 30.83525 
1 1 1   15    1    0 o  325.686   5.3800  367.184   12.127  367.484   14.867  366.585   20.964  325.793   6.5934  325.317   9.3108 0.4760742 11.40894 
1 1 1   15    1    1 o  398.004   4.6991  548.317   12.944  552.202   18.231  544.368   18.383  399.363   6.5956  396.517   6.6983 2.846252 9.400542 
1 1 1   15    1    2 o  439.819   4.7331  669.606   14.408  653.261   20.153  686.694   20.606  434.357   6.7037  445.333   6.6855 -10.97659 9.467586 
1 1 1   15    1    3 o   42.548   16.217   4.3183   6.6268   2.0673   8.1388   8.7463   11.415   42.437   17.384   57.520   21.422 -15.08321 27.58794 
1 1 1   15    1    4 f  1069.77   8.9443  3964.74   66.224  3954.56   80.928  3985.37  115.215  1068.10   10.947  1071.35   15.538 -3.246948 19.00735 
1 1 1   15    1    5 o  572.171   7.3738  1133.64   29.201  1149.76   41.980  1118.54   40.644  576.032   10.530  568.171   10.336 7.860840 14.75480 
1 1 1   15    1    6 o  508.638   7.0822  895.724   24.932   0.0000   0.0000  895.724   24.932  ?   ?   508.638   7.0822 0.000000 7.082248 
1 1 1   15    1    7 o  582.515   5.3000  1174.52   21.368  1139.02   29.549  1213.43   30.936  573.581   7.4435  592.016   7.5501 -18.43494 10.60232 
1 1 1   15    1    8 o  220.870   6.0462  168.863   9.2427  162.642   12.951  175.321   13.195  216.734   8.6335  225.026   8.4723 -8.291473 12.09613 
1 1 1   15    1    9 o  1008.14   7.4815  3518.54   52.202  3547.96   74.440  3490.07   73.223  1012.13   10.627  1003.85   10.539 8.283936 14.96654 
1 1 1   15    1   10 f  634.872   6.5670  1395.35   28.855  1408.78   50.097  1388.69   35.299  637.680   11.351  633.294   8.0534 4.386597 13.91765 
1 1 1   15    1   11 o  1562.09   12.496  8459.15  135.096  8474.29  165.838  8429.27  232.931  1562.79   15.332  1556.58   21.621 6.202759 26.50570 
1 1 1   15    1   12 o  470.410   5.5446  766.118   18.052  763.130   25.451  769.144   25.608  469.387   7.8343  471.232   7.8518 -1.845062 11.09177 
1 1 1   15    1   13 o  563.752   5.7084  1100.54   22.273  1106.90   31.712  1094.34   31.290  565.192   8.1068  561.982   8.0446 3.209961 11.42083 
1 1 1   15    1   14 o  106.566   13.907   40.190   10.013   37.179   14.084   43.267   14.238  101.184   20.805  109.597   19.484 -8.413422 28.50444 
1 1 1   15    1   15 o  117.092   14.311   48.580   11.356   48.071   14.261   49.463   18.774  115.600   18.445  115.985   24.172 -0.3855820 30.40512 
1 1 1   15    1   16 o  175.010   8.5716  106.481   10.383  110.389   15.071  102.951   14.324  177.337   12.356  171.268   12.163 6.068497 17.33816 
1 1 1   15    1   17 o  351.792   5.6907  429.433   13.856  423.664   19.847  434.919   19.352  348.908   8.2186  353.586   7.9079 -4.678284 11.40526 
1 1 1   15    1   18 o   64.958   26.776   7.0390   19.459   7.0390   19.459   0.0000   0.0000   64.958   26.776  ?   ?  0.000000 26.77593 
1 1 1   15    1   19 o   71.452   17.955   19.174   8.8683   8.2233   12.745   29.453   12.348   56.961   22.281   87.988   20.634 -31.02680 30.36767 
1 1 1   15    1   20 o  146.303   9.1972   75.520   9.2655   60.194   13.135   90.698   13.072  128.440   15.062  159.381   11.937 -30.94040 19.21867 
1 1 1   15    3    0 f  215.936   6.1334  161.428   9.1665  162.016   11.213  160.244   15.915  216.306   7.4900  215.050   10.693 1.256500 13.05516 
1 1 1   15    3    1 o  295.837   5.4300  302.973   11.118  306.124   13.657  296.780   19.145  297.346   6.6361  292.695   9.4508 4.651031 11.54796 
1 1 1   15    3    2 o  477.797   5.5824  790.331   18.460  785.721   22.625  799.512   31.930  476.353   6.8625  480.376   9.6036 -4.022614 11.80352 
1 1 1   15    3    3 o  815.472   7.2845  2302.98   41.114  2286.74   50.071  2336.58   72.030  812.442   8.9047  820.777   12.680 -8.334778 15.49424 
1 1 1   15    3    4 o  218.324   5.4717  165.018   8.2680  172.464   11.787  157.804   11.601  223.152   7.6318  213.452   7.8525 9.700150 10.95014 
1 1 1   15    3    5 o  376.390   4.7355  490.383   12.336  490.903   17.278  489.843   17.619  376.543   6.6299  376.132   6.7680 0.4109192 9.474269 
1 1 1   15    3    6 o  206.576   6.7928  147.739   9.7119  149.658   17.609  146.900   11.643  207.445   12.320  205.968   8.1674 1.476929 14.78114 
1 1 1   15    3    7 o  887.107   7.8203  2724.66   48.015  2601.46   80.142  2793.64   59.969  866.412   13.365  898.151   9.6472 -31.73950 16.48289 
1 1 1   15    3    8 o  406.783   5.0064  572.729   14.095  581.224   20.109  564.525   19.762  409.752   7.0907  403.823   7.0707 5.928925 10.01365 
1 1 1   15    3    9 o  562.615   6.1897  1095.70   24.102  1126.83   42.081  1080.50   29.403  570.395   10.660  558.659   7.6044 11.73578 13.09396 
1 1 1   15    3   10 o  756.427   6.2200  1980.75   32.564  1979.65   46.208  1981.83   45.899  756.086   8.8301  756.506   8.7662 -0.4201050 12.44254 
1 1 1   15    3   11 o  1214.30   8.7168  5107.12   73.259  5207.34  105.638  5014.26  101.683  1225.60   12.454  1202.70   12.216 22.89624 17.44452 
1 1 1   15    3   12 o  339.463   6.7177  399.043   15.783  389.317   19.331  418.488   27.334  335.240   8.3316  347.420   11.368 -12.17950 14.09388 
1 1 1   15    3   13 o  148.732   10.349   77.086   10.587   76.013   14.889   78.185   15.057  147.146   14.821  149.261   14.769 -2.114807 20.92340 
1 1 1   15    3   14 o  121.658   14.039   52.203   11.604   66.276   14.499   27.132   19.353  137.015   15.566   88.200   28.122 48.81531 32.14262 
1 1 1   15    3   15 o  124.267   11.630   54.232   9.8866   57.943   13.971   50.510   13.993  127.653   16.176  118.752   17.554 8.900398 23.87044 
1 1 1   15    3   16 o  131.790   12.475   61.221   11.243   45.341   19.760   68.823   13.672  109.992   26.311  139.406   14.377 -29.41431 29.98256 
1 1 1   15    3   17 o  126.240   15.439   57.038   13.208   0.0000   0.0000   57.038   13.208  ?   ?   126.240   15.439 0.000000 15.43865 
1 1 1   15    3   18 o  158.994   9.2054   88.588   10.086  106.799   14.463   71.345   14.073  173.871   12.094  141.225   14.610 32.64691 18.96593 
1 1 1   15    3   19 o  205.402   10.649  148.760   15.087  137.122   21.187  160.732   21.488  194.998   15.835  211.758   14.754 -16.76004 21.64337 
1 1 1   15    3   20 o   67.906   18.070   17.526   8.6415   13.569   12.415   21.244   12.036   62.828   22.504   74.156   21.922 -11.32770 31.41668 
1 1 1   15    5    0 o  665.516   6.4516  1533.49   29.717  1499.44   35.704  1610.24   53.609  658.010   7.8399  681.613   11.364 -23.60339 13.80584 
1 1 1   15    5    1 o  203.283   6.2737  143.074   8.8267  134.947   10.785  159.561   15.362  197.397   7.8940  214.586   10.343 -17.18939 13.01147 
1 1 1   15    5    2 o  304.503   5.3778  320.995   11.334  316.135   13.888  330.683   19.609  302.159   6.6411  308.950   9.1705 -6.791656 11.32265 
1 1 1   15    5    3 o  714.960   5.8121  1769.78   28.760  1777.81   40.840  1761.87   40.509  716.407   8.2365  713.191   8.2068 3.216003 11.62716 
1 1 1   15    5    4 o   59.403   15.122   12.720   6.2331   12.588   8.7754   12.855   8.8549   60.463   18.893   61.013   18.965 -0.5501060 26.76957 
1 1 1   15    5    5 o  409.819   4.7516  581.354   13.477  614.872   19.590  551.231   18.571  421.415   6.7164  399.010   6.7247 22.40485 9.504335 
1 1 1   15    5    6 o  445.152   4.8344  685.897   14.894  688.724   21.163  683.122   20.966  446.020   6.8556  444.203   6.8196 1.816711 9.669905 
1 1 1   15    5    7 o  384.478   6.9575  511.746   18.514   0.0000   0.0000  511.746   18.514  ?   ?   384.478   6.9575 0.000000 6.957453 
1 1 1   15    5    8 o  950.401   10.090  3128.05   66.369   0.0000   0.0000  3128.05   66.369  ?   ?   950.401   10.090 0.000000 10.08978 
1 1 1   15    5    9 o  958.863   7.2057  3182.92   47.820  3197.30   67.961  3168.82   67.299  960.841   10.220  956.556   10.165 4.284546 14.41431 
1 1 1   15    5   10 o  400.631   5.2703  555.578   14.613  569.047   20.886  542.661   20.454  405.408   7.4438  395.897   7.4647 9.511261 10.54186 
1 1 1   15    5   11 o  1185.90   8.5586  4870.90   70.247  4973.23  101.493  4776.81   97.326  1197.76   12.243  1173.91   11.979 23.84851 17.12862 
1 1 1   15    5   12 o  175.212   9.0162  106.648   10.897  118.223   15.542   95.458   15.281  184.219   12.260  165.316   13.473 18.90332 18.21612 
1 1 1   15    5   13 o  222.955   8.4986  172.278   13.114  187.958   15.850  138.244   23.351  232.822   9.8362  198.540   17.162 34.28188 19.78095 
1 1 1   15    5   14 o  162.199   9.5079   91.614   10.627  107.586   15.405   77.114   14.679  175.410   12.777  148.089   14.508 27.32120 19.33202 
1 1 1   15    5   15 o  270.760   6.4301  254.188   12.050  260.662   17.453  248.291   16.657  273.909   9.2064  267.354   9.0017 6.555542 12.87590 
1 1 1   15    5   16 o   39.736   17.929  -5.2075   10.457   9.2780   18.600 -11.9019   12.644   67.003   26.694   39.684   18.550 27.31884 32.50621 
1 1 1   15    5   17 o  301.451   8.4957  316.406   17.725  292.878   24.948  340.390   25.188  289.006   12.472  311.822   11.671 -22.81540 17.08143 
1 1 1   15    5   18 o  202.281   7.5738  142.507   10.603  135.424   15.157  149.297   14.839  196.139   11.212  206.200   10.432 -10.06090 15.31425 
1 1 1   15    5   19 o   38.555   17.386  -4.2877   9.8157  -0.8634   12.772  -9.2293   15.342   47.552   20.709   45.917   21.100 1.634800 29.56421 
1 1 1   15    5   20 o   66.629   22.765   16.202   12.610   16.202   12.610   0.0000   0.0000   66.629   22.765  ?   ?  0.000000 22.76462 
1 1 1   15    7    0 o  542.398   5.8819  1018.53   22.081  1001.30   26.778  1055.12   39.029  537.733   7.1952  551.810   10.219 -14.07739 12.49822 
1 1 1   15    7    1 o  436.078   4.7958  658.271   14.475  633.093   19.924  686.410   21.063  427.594   6.7325  445.232   6.8354 -17.63751 9.594236 
1 1 1   15    7    2 o  279.186   4.8720  269.822   9.4141  265.773   13.242  273.959   13.386  277.037   6.9062  281.272   6.8763 -4.234802 9.745696 
1 1 1   15    7    3 o  658.800   6.4174  1502.82   29.261  1475.61   50.297  1516.74   35.976  652.425   11.139  661.748   7.8549 -9.322998 13.62980 
1 1 1   15    7    4 o  414.238   4.7561  593.982   13.636  601.281   19.465  586.949   19.107  416.714   6.7490  411.719   6.7054 4.994751 9.513746 
1 1 1   15    7    5 o  855.778   6.5516  2535.52   38.805  2548.18   55.283  2523.22   54.483  857.713   9.3126  853.508   9.2231 4.204651 13.10686 
1 1 1   15    7    6 o  515.845   5.0331  921.051   17.969  923.870   25.549  918.292   25.278  516.574   7.1460  515.013   7.0916 1.560181 10.06763 
1 1 1   15    7    7 o  505.407   7.0461  884.293   24.647  862.439   33.906  908.781   35.891  499.033   9.8168  512.253   10.123 -13.21979 14.10151 
1 1 1   15    7    8 o  364.292   5.1348  459.332   12.946  444.254   18.277  474.514   18.341  358.228   7.3719  370.231   7.1575 -12.00345 10.27498 
1 1 1   15    7    9 o  1100.22   9.2607  4191.65   70.518  4213.66  123.595  4181.03   85.866  1102.38   16.199  1098.66   11.292 3.723511 19.74662 
1 1 1   15    7   10 o  972.866   7.3222  3276.94   49.303  3335.14   70.929  3222.53   68.580  981.215   10.444  964.524   10.273 16.69073 14.65010 
1 1 1   15    7   11 o  483.059   5.4296  807.792   18.153  793.387   25.462  822.681   25.887  478.648   7.6861  487.405   7.6738 -8.756836 10.86106 
1 1 1   15    7   12 o  224.966   8.5272  175.333   13.277  179.059   16.519  168.537   22.314  227.277   10.502  219.827   14.752 7.449799 18.10822 
1 1 1   15    7   13 o  496.363   6.4734  853.363   22.239  864.781   27.483  831.707   37.849  499.559   7.9489  489.592   11.170 9.967163 13.70937 
1 1 1   15    7   14 o  127.301   11.844   56.818   10.316   79.029   15.024   37.005   14.190  149.891   14.670  100.865   21.008 49.02532 25.62336 
1 1 1   15    7   15 o  107.182   19.847   41.728   14.181   0.0000   0.0000   41.728   14.181  ?   ?   107.182   19.847 0.000000 19.84674 
1 1 1   15    7   16 o  202.220   8.7795  142.225   12.288  121.659   22.544  150.917   14.656  184.779   17.850  208.128   10.174 -23.34911 20.54643 
1 1 1   15    7   17 o   90.256   15.052   29.469   9.0717   29.421   13.026   29.514   12.641   88.751   21.445   88.986   20.884 -0.2354736 29.93404 
1 1 1   15    7   18 o  188.475   9.0495  124.073   11.805  107.415   20.911  131.865   14.301  172.292   17.793  193.662   10.711 -21.36961 20.76802 
1 1 1   15    7   19 o   47.250   18.322   5.5597   8.5612   17.997   12.384  -5.8243   11.848   69.854   22.520   41.633   18.906 28.22084 29.40335 
1 1 1   15    7   20 o   72.186   20.385   20.063   10.632   38.849   20.126   12.791   12.522   97.111   28.246   61.788   22.536 35.32253 36.13472 
1 1 1   15    9    0 o  157.085   6.6915   85.444   7.2750   75.143   10.070   96.691   10.522  146.921   9.9617  166.810   9.1486 -19.88844 13.52527 
1 1 1   15    9    1 o  210.010   5.5482  152.690   8.0643  140.400   11.198  165.934   11.624  201.334   8.0358  218.886   7.6726 -17.55174 11.11053 
1 1 1   15    9    2 o  776.718   6.1357  2088.84   32.984  2002.72   44.976  2189.06   48.518  760.349   8.5465  794.907   8.8188 -34.55890 12.28068 
1 1 1   15    9    3 o  155.298   7.7638   83.529   8.3448   73.504   10.009  106.390   15.114  145.297   10.014  174.698   12.584 -29.40128 16.08237 
1 1 1   15    9    4 o  325.048   4.7385  365.729   10.660  369.882   15.336  361.847   14.829  326.842   6.7794  323.277   6.6275 3.565399 9.480713 
1 1 1   15    9    5 f  300.528   4.8533  312.622   10.095  299.917   14.322  325.167   14.231  294.319   7.0307  306.465   6.7092 -12.14578 9.718287 
1 1 1   15    9    6 o  152.531   7.9523   80.776   8.3661   68.780   13.829   87.700   10.507  140.112   14.469  158.841   9.6026 -18.72903 17.36518 
1 1 1   15    9    7 o  204.782   6.0211  145.160   8.5338  125.248   11.692  167.865   12.485  190.188   8.8821  220.190   8.1922 -30.00185 12.08318 
1 1 1   15    9    8 o  550.683   5.3282  1049.63   20.308  1030.18   28.550  1069.56   28.892  545.501   7.5619  555.831   7.5102 -10.32959 10.65768 
1 1 1   15    9    9 o  1122.65   8.1504  4363.75   63.329  4461.28   91.606  4274.46   87.646  1134.83   11.663  1110.84   11.400 23.98865 16.30916 
1 1 1   15    9   10 o  575.618   6.4027  1147.06   25.508  1152.19   45.427  1144.70   30.826  576.659   11.382  574.972   7.7463 1.687805 13.76790 
1 1 1   15    9   11 o  726.341   6.1388  1826.54   30.861  1814.86   43.531  1838.35   43.757  723.846   8.6891  728.516   8.6781 -4.669983 12.28051 
1 1 1   15    9   12 o  417.825   5.6423  604.443   16.317  635.505   23.701  576.457   22.496  428.318   7.9951  407.935   7.9679 20.38223 11.28755 
1 1 1   15    9   13 o  275.230   6.4869  262.389   12.357  254.882   17.688  269.547   17.271  271.123   9.4260  278.841   8.9490 -7.717896 12.99747 
1 1 1   15    9   14 o  314.047   7.1006  341.889   15.434  337.536   19.054  350.195   26.319  311.895   8.8265  317.333   11.983 -5.438751 14.88316 
1 1 1   15    9   15 o  244.196   7.6986  206.963   13.012  196.195   21.910  212.829   16.172  236.684   13.431  247.451   9.4428 -10.76678 16.41782 
1 1 1   15    9   16 o  181.800   9.5692  115.392   11.998   97.255   14.692  151.707   20.789  166.239   12.870  207.415   14.574 -41.17596 19.44329 
1 1 1   15    9   17 o  158.456   8.8174   87.754   9.6317   94.977   14.046   81.342   13.233  164.087   12.461  151.719   12.720 12.36713 17.80625 
1 1 1   15    9   18 o  149.746   9.2741   78.664   9.5644   94.128   14.198   65.818   12.941  162.944   12.690  135.713   13.978 27.23152 18.87887 
1 1 1   15    9   19 o   46.751   18.936   3.9932   9.5261   2.5976   17.087   4.6226   11.475   57.306   24.439   50.815   20.708 6.491463 32.03319 
1 1 1   15    9   20 o   55.354   20.148   9.9842   10.002   27.983   13.122 -14.9707   15.450   84.404   22.174   42.276   19.991 42.12796 29.85522 
1 1 1   15   11    0 o  705.566   6.7182  1723.84   32.807  1538.05   51.669  1849.34   42.466  666.086   11.208  730.669   8.3973 -64.58295 14.00465 
1 1 1   15   11    1 o  485.652   4.9496  816.483   16.637  769.215   22.711  871.225   24.441  471.305   6.9624  501.580   7.0404 -30.27478 9.901600 
1 1 1   15   11    2 o  371.514   6.7237  477.935   17.289   0.0000   0.0000  477.935   17.289  ?   ?   371.514   6.7237 0.000000 6.723702 
1 1 1   15   11    3 o  247.089   5.1092  211.349   8.7375  213.570   12.628  209.309   12.102  248.340   7.3469  245.855   7.1123 2.484848 10.22555 
1 1 1   15   11    4 o  345.004   4.7691  412.007   11.388  400.750   16.118  423.226   16.092  340.214   6.8453  349.629   6.6499 -9.415344 9.543485 
1 1 1   15   11    5 o  815.243   7.3172  2301.13   41.286  2493.17   76.335  2221.72   49.085  848.119   13.004  800.960   8.8545 47.15833 15.73269 
1 1 1   15   11    6 o   63.840   15.540   14.698   6.8017   20.620   9.7294   9.0374   9.5125   75.597   18.699   55.285   19.709 20.31181 27.16821 
1 1 1   15   11    7 o  393.232   4.9153  535.206   13.378  505.792   18.517  567.320   19.348  382.240   6.9993  404.824   6.9055 -22.58414 9.832435 
1 1 1   15   11    8 o  832.696   7.5300  2400.45   43.397  2412.50   53.615  2377.56   73.900  834.697   9.2808  828.397   12.889 6.300293 15.88284 
1 1 1   15   11    9 o  1138.94   8.2442  4491.40   64.987  4520.19   92.610  4463.47   91.216  1142.27   11.714  1135.09   11.611 7.178223 16.49342 
1 1 1   15   11   10 o  327.881   5.5773  372.148   12.657  356.785   17.942  387.365   17.857  320.987   8.0761  334.470   7.7139 -13.48285 11.16818 
1 1 1   15   11   11 o  200.565   11.260  139.870   15.567  141.805   23.870  138.439   20.534  201.308   17.300  199.164   15.007 2.144180 22.90201 
1 1 1   15   11   12 o  603.639   5.7451  1261.65   24.002  1310.97   34.829  1217.05   33.124  615.151   8.1805  592.714   8.0746 22.43726 11.49437 
1 1 1   15   11   13 o  338.898   5.9251  397.782   13.898  398.944   20.041  396.706   19.289  339.241   8.5355  338.309   8.2380 0.9327393 11.86258 
1 1 1   15   11   14 o  226.057   8.1539  177.265   12.757  179.122   21.970  176.321   15.670  226.272   14.099  225.315   10.048 0.9572906 17.31334 
1 1 1   15   11   15 o  248.413   9.9923  214.640   17.180  210.781   25.184  218.000   23.495  244.964   14.925  249.435   13.662 -4.471313 20.23369 
1 1 1   15   11   16 o  140.045   9.8095   68.651   9.4480   73.005   13.691   64.691   13.055  143.633   13.948  135.078   14.175 8.554230 19.88687 
1 1 1   15   11   17 o   36.723   16.444  -3.5180   8.6113   12.107   12.716 -16.7514   11.703   62.609   22.729   34.663   16.665 27.94581 28.18388 
1 1 1   15   11   18 o  121.073   12.330   52.146   10.188   50.538   13.178   54.537   16.061  117.887   16.611  121.387   19.800 -3.499634 25.84537 
1 1 1   15   11   19 o  110.946   11.860   43.975   8.9657   22.219   13.444   61.403   12.032   76.382   23.304  130.757   13.489 -54.37424 26.92695 
1 1 1   15   11   20 o   51.290   20.853   5.3587   11.601   0.0000   0.0000   5.3587   11.601  ?   ?    51.290   20.853 0.000000 20.85304 
1 1 1   15   13    0 o  658.932   6.4970  1503.41   29.630  1368.78   47.783  1587.52   37.767  628.401   10.987  677.008   8.0602 -48.60675 13.62612 
1 1 1   15   13    1 o  721.952   8.3508  1805.40   41.727   0.0000   0.0000  1805.40   41.727  ?   ?   721.952   8.3508 0.000000 8.350840 
1 1 1   15   13    2 o  900.310   7.8697  2807.22   49.038  2748.14   58.944  2940.00   88.374  890.618   9.5626  920.587   13.870 -29.96875 16.84714 
1 1 1   15   13    3 o  281.006   4.9763  273.340   9.6784  243.037   13.453  305.853   13.935  264.928   7.3367  297.213   6.7741 -32.28516 9.985774 
1 1 1   15   13    4 o  304.851   5.4950  321.703   11.594  336.341   20.302  314.618   14.124  311.618   9.4134  301.452   6.7694 10.16617 11.59465 
1 1 1   15   13    5 o  274.223   5.7652  260.304   10.942  270.683   18.724  254.922   13.484  279.561   9.6771  271.351   7.1797 8.210449 12.04968 
1 1 1   15   13    6 o  1050.78   10.874  3824.40   79.084   0.0000   0.0000  3824.40   79.084  ?   ?   1050.78   10.874 0.000000 10.87432 
1 1 1   15   13    7 o  161.458   7.3112   90.246   8.1700   96.148   11.727   84.679   11.389  166.309   10.237  156.005   10.611 10.30354 14.74459 
1 1 1   15   13    8 o  422.911   5.0991  619.050   14.925  634.722   21.320  603.989   20.901  428.192   7.1941  417.696   7.2298 10.49597 10.19928 
1 1 1   15   13    9 o  626.985   5.6406  1360.75   24.477  1359.99   34.667  1361.50   34.565  626.728   7.9920  627.076   7.9641 -0.3477173 11.28274 
1 1 1   15   13   10 o  1107.09   9.3130  4245.29   71.359  4321.79   89.137  4108.78  119.079  1116.74   11.533  1088.20   15.811 28.53992 19.56978 
1 1 1   15   13   11 o  391.947   5.4771  531.836   14.858  530.871   21.269  532.756   20.764  391.509   7.8492  392.211   7.6492 -0.7025452 10.95997 
1 1 1   15   13   12 o  939.234   8.3739  3056.52   54.435  3119.02   97.170  3027.94   65.715  947.549   14.817  934.561   10.160 12.98834 17.96535 
1 1 1   15   13   13 o  431.710   6.2812  645.605   18.768  692.683   32.730  622.543   22.908  446.763   10.585  423.814   7.8097 22.94885 13.15423 
1 1 1   15   13   14 o  190.086   8.2012  125.363   10.790  136.051   15.659  115.700   14.888  197.447   11.508  181.975   11.886 15.47305 16.54461 
1 1 1   15   13   15 o  158.425   10.859   87.806   11.835   86.982   14.415   89.512   20.731  157.237   13.373  158.148   19.343 -0.9117584 23.51581 
1 1 1   15   13   16 o  193.156   9.1967  129.896   12.295  137.016   15.111  115.951   21.148  197.807   11.082  180.389   17.145 17.41779 20.41447 
1 1 1   15   13   17 o  130.575   11.479   60.177   10.269   77.010   13.213   34.507   16.317  147.438   13.085   95.405   24.565 52.03259 27.83201 
1 1 1   15   13   18 o  103.546   13.116   38.446   9.1890   38.251   13.413   38.618   12.614  101.166   19.865  102.112   18.531 -0.9462814 27.16689 
1 1 1   15   13   19 o  110.254   11.762   43.435   8.8366   39.174   12.979   47.117   12.064  102.106   19.068  113.524   15.781 -11.41813 24.75146 
1 1 1   15   13   20 o  162.232   8.7254   92.771   9.7611   95.587   14.767   90.587   13.008  162.794   13.221  159.066   11.902 3.728165 17.78888 
1 1 1   15   15    0 o  319.101   5.7520  352.518   12.704  320.634   21.378  369.923   15.795  304.197   10.154  326.852   6.9821 -22.65521 12.32286 
1 1 1   15   15    1 o  708.877   8.2556  1740.40   40.504   0.0000   0.0000  1740.40   40.504  ?   ?   708.877   8.2556 0.000000 8.255638 
1 1 1   15   15    2 o  390.543   6.9207  528.106   18.707  528.106   18.707   0.0000   0.0000  390.543   6.9207  ?   ?  0.000000 6.920728 
1 1 1   15   15    3 o  1099.49   9.1707  4187.04   69.787  4238.05  122.046  4162.27   85.065  1105.20   15.955  1096.00   11.214 9.199585 19.50201 
1 1 1   15   15    4 o  1172.24   9.6641  4759.46   78.408  4788.78  136.489  4745.01   95.790  1174.83   16.786  1170.21   11.827 4.615601 20.53416 
1 1 1   15   15    5 o  720.827   5.9175  1798.60   29.522  1797.97   41.894  1799.21   41.608  720.596   8.4001  720.848   8.3399 -0.2518311 11.83703 
1 1 1   15   15    6 o  781.296   6.2322  2113.01   33.700  2131.76   48.239  2095.15   47.099  784.639   8.8829  777.878   8.7484 6.760681 12.46756 
1 1 1   15   15    7 o  1479.66   10.266  7582.07  105.133  7533.91  147.845  7631.32  149.529  1474.42   14.488  1483.91   14.559 -9.490845 20.53962 
1 1 1   15   15    8 o  702.078   5.8982  1706.19   28.661  1764.84   41.655  1653.47   39.496  713.946   8.4299  691.060   8.2576 22.88635 11.80051 
1 1 1   15   15    9 o  483.487   6.0114  809.200   20.116  805.834   24.842  815.610   34.283  482.439   7.4399  485.251   10.208 -2.812073 12.63131 
1 1 1   15   15   10 o  238.431   7.1409  196.843   11.784  182.976   19.050  205.438   14.998  229.443   12.038  243.542   8.8976 -14.09848 14.96943 
1 1 1   15   15   11 o  587.681   5.6226  1195.71   22.869  1234.32   33.217  1160.91   31.533  596.956   8.0398  578.943   7.8695 18.01276 11.25021 
1 1 1   15   15   12 o  274.518   6.4720  260.994   12.297  283.815   18.150  241.631   16.718  286.156   9.1641  264.035   9.1486 22.12042 12.94909 
1 1 1   15   15   13 o  707.940   7.1389  1736.81   34.979  1752.68   63.141  1729.78   42.015  710.051   12.848  706.283   8.5951 3.768066 15.45818 
1 1 1   15   15   14 o  219.382   7.2988  166.915   11.082  156.959   15.849  176.440   15.502  212.188   10.828  225.345   9.9396 -13.15633 14.69848 
1 1 1   15   15   15 o  178.489   8.1180  110.657   10.029  117.290   14.374  104.368   13.998  183.085   11.400  172.596   11.789 10.48891 16.39943 
1 1 1   15   15   16 o   40.210   17.369  -0.7639   8.8392  -8.1310   12.663   6.2376   12.344   42.177   19.302   54.958   21.794 -12.78126 29.11263 
1 1 1   15   15   17 o  185.278   9.0119  119.741   11.556  123.524   14.086  111.951   20.211  187.535   10.900  176.733   16.722 10.80231 19.96027 
1 1 1   15   15   18 o  174.896   8.0790  106.731   9.7794  108.963   14.243  104.740   13.452  175.528   11.792  172.215   11.349 3.313202 16.36649 
1 1 1   15   15   19 o   91.313   16.040   30.830   9.7672   24.844   17.759   33.426   11.695   80.743   27.018   94.243   18.590 -13.49972 32.79567 
1 1 1   15   15   20 o   55.627   18.694   11.106   8.5024   1.1497   12.630   19.357   11.498   48.399   20.835   70.655   21.551 -22.25637 29.97533 
1 1 1   15   17    0 o  404.299   5.7146  565.854   15.991  575.610   27.810  561.034   19.545  407.629   9.8573  402.538   7.0153 5.090729 12.09880 
1 1 1   15   17    1 o  543.043   6.0622  1020.90   22.785  969.756   38.610  1048.23   28.223  529.057   10.544  550.210   7.4113 -21.15295 12.88847 
1 1 1   15   17    2 o  828.181   7.4488  2374.87   42.696  2226.34   69.929  2463.16   53.912  801.447   12.607  843.307   9.2369 -41.86005 15.62849 
1 1 1   15   17    3 o  651.776   6.4369  1470.65   29.037  1341.95   46.940  1550.43   36.957  622.380   10.897  669.151   7.9798 -46.77112 13.50648 
1 1 1   15   17    4 o  166.212   6.8309   95.641   7.8582   96.310   11.233   95.000   10.997  166.470   9.7927  165.340   9.6518 1.129852 13.74968 
1 1 1   15   17    5 o  321.577   5.0244  357.931   11.183  326.377   15.554  391.692   16.089  307.042   7.3193  336.372   6.9107 -29.32990 10.06632 
1 1 1   15   17    6 o  992.685   7.3736  3411.42   50.660  3448.09   72.507  3376.44   70.811  997.812   10.499  987.400   10.362 10.41235 14.75122 
1 1 1   15   17    7 o  744.697   6.0832  1919.64   31.354  1947.25   45.062  1893.72   43.652  749.935   8.6819  739.561   8.5282 10.37366 12.16985 
1 1 1   15   17    8 o  600.098   10.706  1247.32   44.465   0.0000   0.0000  1247.32   44.465  ?   ?   600.098   10.706 0.000000 10.70584 
1 1 1   15   17    9 o  798.999   6.4070  2210.09   35.431  2261.82   51.165  2162.44   49.111  808.130   9.1478  790.189   8.9799 17.94147 12.81874 
1 1 1   15   17   10 o  470.228   5.3466  765.442   17.401  770.573   24.717  760.402   24.501  471.720   7.5708  468.597   7.5544 3.122833 10.69511 
1 1 1   15   17   11 o  783.873   6.4343  2127.70   34.908  2214.74   51.330  2052.80   47.613  799.477   9.2766  769.729   8.9374 29.74738 12.88148 
1 1 1   15   17   12 o  461.947   6.1575  739.037   19.687  815.610   35.139  704.005   23.767  484.934   10.469  450.773   7.6180 34.16165 12.94775 
1 1 1   15   17   13 o  254.990   6.6500  225.306   11.736  234.207   17.593  218.170   15.753  259.775   9.7852  250.774   9.0763 9.000977 13.34652 
1 1 1   15   17   14 f  167.046   10.321   97.383   11.875  140.342   22.325   80.434   14.023  199.576   16.305  151.258   13.538 48.31848 21.19244 
1 1 1   15   17   15 o  106.118   12.598   39.874   9.0718   28.431   13.080   50.481   12.593   87.726   21.670  118.929   15.681 -31.20300 26.74865 
1 1 1   15   17   16 o  218.083   6.9608  165.212   10.506  179.470   14.790  150.687   14.928  226.941   9.4161  207.793   10.380 19.14778 14.01453 
1 1 1   15   17   17 o  194.280   7.3701  131.344   9.9102  125.052   14.340  137.098   13.711  188.613   11.033  197.773   10.050 -9.160355 14.92416 
1 1 1   15   17   18 o   83.416   19.292   26.187   10.916   20.930   13.172   37.712   19.503   74.814   23.110   97.967   27.590 -23.15340 35.98961 
1 1 1   15   17   19 o   68.352   17.967   17.659   8.6115   25.904   12.868   10.971   11.589   81.752   22.179   58.752   21.642 22.99994 30.98824 
1 1 1   15   17   20 o   43.201   17.815   2.9701   8.6178   5.2834   13.094   1.2023   11.446   53.062   21.927   46.351   19.891 6.710831 29.60498 
1 1 1   15   19    0 o  180.611   6.9543  112.937   8.6932  107.824   12.255  118.114   12.333  176.143   10.095  184.410   9.6969 -8.267349 13.99771 
1 1 1   15   19    1 o  567.223   7.5000  1113.99   29.444   0.0000   0.0000  1113.99   29.444  ?   ?   567.223   7.5000 0.000000 7.499997 
1 1 1   15   19    2 o  218.679   6.7557  165.554   10.225  179.561   17.716  158.558   12.521  227.660   11.244  213.984   8.4541 13.67548 14.06732 
1 1 1   15   19    3 o  326.199   7.0016  368.377   15.807   0.0000   0.0000  368.377   15.807  ?   ?   326.199   7.0016 0.000000 7.001565 
1 1 1   15   19    5 o  1257.76   8.9188  5477.57   77.639  5460.16  109.644  5495.08  109.954  1255.40   12.619  1259.41   12.614 -4.008179 17.84267 
1 1 1   15   19    6 o  288.330   5.3167  287.746   10.610  288.001   15.321  287.512   14.707  288.427   7.6751  288.186   7.3734 0.2406311 10.64307 
1 1 1   15   19    7 o  1128.36   8.1711  4408.12   63.812  4510.19   92.410  4315.10   88.224  1141.06   11.701  1116.14   11.421 24.92554 16.35086 
1 1 1   15   19    8 o  1090.73   7.9710  4119.23   60.174  4251.98   87.846  4001.87   82.594  1107.86   11.457  1074.82   11.103 33.04028 15.95403 
1 1 1   15   19    9 o  289.695   5.7010  290.519   11.431  287.874   16.344  293.052   15.993  288.321   8.1903  290.909   7.9431 -2.587646 11.40935 
1 1 1   15   19   10 o  272.196   6.0128  256.514   11.327  271.640   16.380  242.652   15.681  280.042   8.4513  264.675   8.5604 15.36716 12.02936 
1 1 1   15   19   11 o  525.781   6.1800  957.254   22.489  1040.00   40.339  919.939   27.089  547.699   10.642  515.349   7.5948 32.34979 13.07379 
1 1 1   15   19   12 o  276.127   9.0634  264.342   17.321  264.342   17.321   0.0000   0.0000  276.127   9.0634  ?   ?  0.000000 9.063369 
1 1 1   15   19   13 o  423.655   5.4286  621.728   15.918  640.659   23.392  605.402   21.723  429.823   7.8631  417.867   7.5110 11.95645 10.87400 
1 1 1   15   19   14 o  211.837   7.0119  155.654   10.281  163.436   14.989  148.742   14.127  216.809   9.9891  206.845   9.8679 9.964508 14.04127 
1 1 1   15   19   15 o  136.513   13.407   65.829   12.504   72.098   21.412   62.585   15.402  140.419   22.815  132.190   17.246 8.228821 28.60013 
1 1 1   15   19   16 o  238.442   6.3450  197.405   10.471  201.962   15.275  193.366   14.382  240.742   9.1676  235.625   8.8189 5.117767 12.72071 
1 1 1   15   19   17 o  169.224   8.2422   99.822   9.6534  112.304   14.606   90.140   12.863  178.418   11.896  159.812   11.711 18.60588 16.69370 
1 1 1   15   19   18 o   47.010   18.383   5.2147   8.6736   10.046   13.004   1.3430   11.641   59.573   22.714   47.681   20.250 11.89186 30.43020 
1 1 1   15   19   19 o   56.498   20.767   10.132   10.663   11.809   12.620   5.9463   19.938   60.812   22.549   63.107   26.634 -2.295162 34.89701 
1 1 1   15   21    0 o  664.394   11.492  1529.27   52.845  1529.27   52.845   0.0000   0.0000  664.394   11.492  ?   ?  0.000000 11.49222 
1 1 1   15   21    1 o  1157.54   11.769  4642.19   94.287   0.0000   0.0000  4642.19   94.287  ?   ?   1157.54   11.769 0.000000 11.76891 
1 1 1   15   21    2 o  1161.87   8.3616  4674.21   67.240  4555.33   92.803  4805.60   97.557  1146.69   11.693  1177.74   11.968 -31.04749 16.73248 
1 1 1   15   21    3 o  600.849   5.4668  1249.62   22.734  1209.72   31.638  1292.21   32.689  591.113   7.7332  610.933   7.7310 -19.81976 10.93489 
1 1 1   15   21    4 o  1004.12   7.4619  3490.53   51.857  3473.92   73.132  3507.32   73.544  1001.53   10.550  1006.33   10.559 -4.802307 14.92671 
1 1 1   15   21    5 o  871.383   6.7357  2628.45   40.623  2626.94   57.632  2629.94   57.268  870.995   9.5602  871.497   9.4944 -0.5014038 13.47376 
1 1 1   15   21    6 o  103.702   11.167   37.679   7.8887   28.128   11.611   45.866   10.751   88.320   19.515  114.210   13.886 -25.89085 23.95180 
1 1 1   15   21    7 o  234.718   11.065  190.829   17.974   0.0000   0.0000  190.829   17.974  ?   ?   234.718   11.065 0.000000 11.06451 
1 1 1   15   21    8 o  470.703   5.2348  766.921   17.054  801.323   25.038  737.150   23.292  481.080   7.5198  461.422   7.2935 19.65829 10.47584 
1 1 1   15   21    9 o  495.417   5.2702  849.619   18.071  869.113   26.496  832.665   24.709  500.982   7.6415  490.379   7.2804 10.60263 10.55443 
1 1 1   15   21   10 o  494.798   6.0024  847.657   20.555  883.415   35.951  830.290   25.055  504.882   10.288  489.639   7.3933 15.24213 12.66927 
1 1 1   15   21   11 o  302.080   8.2410  316.169   17.230   0.0000   0.0000  316.169   17.230  ?   ?   302.080   8.2410 0.000000 8.240956 
1 1 1   15   21   12 o  174.911   8.2307  106.055   9.9639   98.415   15.166  111.857   13.217  167.760   13.167  179.208   10.705 -11.44878 16.96979 
1 1 1   15   21   13 o  483.326   5.3370  809.256   17.853  845.261   26.152  777.829   24.433  493.685   7.6537  473.610   7.4537 20.07492 10.68350 
1 1 1   15   21   14 o  199.803   8.0016  138.601   11.065  147.863   14.575  126.000   17.001  206.159   10.215  189.557   13.038 16.60234 16.56255 
1 1 1   15   21   15 o  112.297   11.315   44.451   8.6747   60.772   13.344   32.506   11.416  130.705   15.024   94.376   18.137 36.32932 23.55097 
1 1 1   15   21   16 o   68.290   19.435   17.114   9.6256  -2.7390   19.833   23.231   11.009   58.393   25.607   79.052   20.082 -20.65809 32.54269 
1 1 1   15   21   17 o  153.343   9.4969   82.506   10.030   83.171   18.568   82.232   11.918  151.304   18.090  152.638   11.363 -1.333923 21.36220 
1 1 1   15   21   18 o  162.177   8.3028   92.157   9.2882   96.092   14.153   89.179   12.310  164.337   12.538  158.702   11.280 5.634949 16.86597 
1 1 1   15   21   19 o  171.808   7.8531  103.316   9.3382  109.495   13.823   98.129   12.665  175.415   11.448  166.172   11.076 9.243225 15.92924 
1 1 1   15   23    0 o  455.663   6.0355  718.709   19.034  657.073   31.989  752.492   23.683  435.560   10.611  466.218   7.3394 -30.65759 12.90236 
1 1 1   15   23    2 o  570.507   10.885  1127.32   42.980  1127.32   42.980   0.0000   0.0000  570.507   10.885  ?   ?  0.000000 10.88493 
1 1 1   15   23    3 o  339.935   5.1820  399.965   12.192  390.506   17.452  408.983   17.040  335.857   7.5077  343.717   7.1629 -7.859863 10.37651 
1 1 1   15   23    4 o  825.522   6.5194  2359.01   37.249  2321.34   52.106  2398.37   53.269  818.788   9.1947  832.259   9.2479 -13.47076 13.04093 
1 1 1   15   23    5 o  754.112   6.1838  1968.49   32.275  1953.39   45.547  1983.71   45.742  751.117   8.7613  756.925   8.7315 -5.808594 12.36931 
1 1 1   15   23    6 o  1543.29   12.317  8251.29  131.559  8247.63  161.389  8258.54  227.133  1542.52   15.117  1542.29   21.278 0.2332764 26.10153 
1 1 1   15   23    7 o  432.935   5.1943  648.771   15.564  667.246   22.517  631.868   21.538  439.005   7.4108  427.211   7.2843 11.79361 10.39137 
1 1 1   15   23    8 o  291.343   5.6070  293.829   11.306  330.869   17.309  266.267   14.931  309.108   8.0908  277.302   7.7799 31.80670 11.22444 
1 1 1   15   23    9 o  700.279   5.9961  1697.78   29.061  1758.25   42.859  1646.31   39.539  712.468   8.6917  689.443   8.2862 23.02429 12.00858 
1 1 1   15   23   10 o  158.021   8.8906   86.790   9.6840   99.250   14.905   77.689   12.739  168.653   12.867  149.140   12.455 19.51241 17.90753 
1 1 1   15   23   11 o  488.353   5.4025  825.789   18.260  894.872   27.467  771.074   24.444  508.208   7.8090  471.770   7.4864 36.43799 10.81785 
1 1 1   15   23   12 o   45.301   18.631   2.2583   9.3953  -0.9463   16.659   3.7530   11.377   55.776   23.968   50.960   20.676 4.815891 31.65361 
1 1 1   15   23   13 o  226.783   6.4941  178.288   10.193  178.659   15.214  177.985   13.730  226.777   9.6931  226.429   8.7614 0.3484344 13.06592 
1 1 1   15   23   14 o  122.094   10.258   52.247   8.5877   62.245   13.132   44.776   11.352  132.574   14.551  112.095   15.008 20.47933 20.90400 
1 1 1   15   23   15 o  244.506   6.1985  207.460   10.489  228.123   15.936  191.664   13.933  256.001   8.9941  234.716   8.5771 21.28529 12.42821 
1 1 1   15   23   16 o  220.383   7.3587  168.924   11.224  171.122   19.713  167.869   13.653  220.279   12.988  219.422   8.9905 0.8571167 15.79592 
1 1 1   15   23   17 o  191.843   8.2379  128.395   10.938  159.366   22.794  119.129   12.467  210.972   15.723  184.230   9.8131 26.74242 18.53412 
1 1 1   15   23   18 o  113.331   10.819   45.624   8.3830   36.992   12.977   51.804   10.982   99.042   19.626  120.030   13.450 -20.98786 23.79244 
1 1 1   15   23   19 o   64.691   17.690   15.879   8.1485   13.002   12.277   18.145   10.894   61.800   22.348   68.897   20.969 -7.096920 30.64564 
1 1 1   15   25    0 o  125.955   9.5125   55.248   8.2314   66.000   16.654   51.772   9.4689  136.773   18.033  121.730   11.371 15.04293 21.31843 
1 1 1   15   25    1 o  898.261   6.9327  2793.16   43.101  2633.41   57.889  2991.85   64.562  872.065   9.5912  929.494   10.036 -57.42871 13.88201 
1 1 1   15   25    2 o  828.015   7.5768  2373.52   43.421  2490.73   78.982  2322.75   51.981  847.859   13.460  819.038   9.1699 28.82166 16.28639 
1 1 1   15   25    3 f  682.138   5.8469  1610.61   27.604  1576.14   38.631  1646.58   39.458  674.720   8.2726  689.634   8.2669 -14.91388 11.69520 
1 1 1   15   25    4 o  486.621   5.2353  819.614   17.632  807.297   25.098  831.618   24.777  482.903   7.5094  490.129   7.3039 -7.225128 10.47563 
1 1 1   15   25    5 o  413.516   5.9648  591.889   17.071  588.122   21.368  598.537   28.383  412.167   7.4905  415.740   9.8643 -3.572784 12.38594 
1 1 1   15   25    6 o  592.198   5.5477  1213.91   22.738  1236.28   32.727  1193.04   31.615  597.555   7.9133  587.015   7.7815 10.53998 11.09824 
1 1 1   15   25    7 o  416.291   5.2512  599.866   15.130  578.813   21.488  620.563   21.307  408.864   7.5936  423.362   7.2715 -14.49835 10.51369 
1 1 1   15   25    8 o  325.816   5.3679  367.480   12.105  372.709   17.891  363.065   16.438  328.066   7.8795  323.808   7.3349 4.257507 10.76506 
1 1 1   15   25    9 o  572.769   5.5398  1135.76   21.961  1189.71   32.643  1091.15   29.683  586.079   8.0474  561.304   7.6406 24.77509 11.09682 
1 1 1   15   25   10 o  180.461   7.8542  112.814   9.8098  121.972   14.763  105.575   13.127  187.184   11.451  174.147   10.947 13.03712 15.84137 
1 1 1   15   25   11 o  356.045   6.3540  439.096   15.658  448.585   29.490  435.371   18.477  359.460   11.854  354.465   7.5317 4.994171 14.04407 
1 1 1   15   25   12 o  280.987   6.5392  273.611   12.717  284.313   16.553  258.195   19.867  286.302   8.3535  272.650   10.528 13.65170 13.43954 
1 1 1   15   25   13 o  322.055   6.1832  359.554   13.782  383.641   17.962  325.073   21.491  332.496   7.8054  305.771   10.155 26.72424 12.80827 
1 1 1   15   25   14 o  350.237   5.3026  425.211   12.854  430.837   18.726  420.199   17.675  352.220   7.6818  347.898   7.3405 4.321991 10.62511 
1 1 1   15   25   15 o  121.120   10.146   51.523   8.4267   56.995   12.772   47.304   11.214  126.426   14.881  115.143   14.385 11.28256 20.69738 
1 1 1   15   25   16 o  196.456   6.8652  134.187   9.3346  146.281   13.837  124.086   12.646  204.628   9.7702  188.228   9.7401 16.40044 13.79590 
1 1 1   15   25   17 o  147.382   8.4302   76.086   8.5635   69.471   13.061   81.073   11.342  139.413   13.713  151.555   10.885 -12.14235 17.50830 
1 1 1   15   25   18 o  102.675   11.403   37.668   7.9668   34.762   12.309   39.762   10.451   95.961   19.203  104.424   14.882 -8.463791 24.29469 
1 1 1   15   25   19 o   39.278   16.938   0.0543   8.3765  -9.7479   11.754   10.171   11.941   38.207   17.868   57.520   21.806 -19.31328 28.19103 
1 1 1   15   27    0 o  964.154   7.2720  3218.04   48.526  3035.61   92.086  3288.18   57.098  935.966   14.215  974.544   8.4653 -38.57837 16.54499 
1 1 1   15   27    1 o  753.687   6.1949  1966.25   32.315  1805.85   60.551  2030.13   38.212  722.033   12.117  765.798   7.2095 -43.76453 14.09933 
1 1 1   15   27    2 o  977.365   7.3815  3306.88   49.932  3205.01   68.759  3420.52   72.629  962.028   10.327  993.829   10.559 -31.80133 14.76936 
1 1 1   15   27    3 o  963.479   7.3091  3213.58   48.740  3171.40   68.563  3256.67   69.299  956.961   10.352  969.743   10.325 -12.78168 14.62082 
1 1 1   15   27    4 o  797.055   12.646  2200.98   69.763   0.0000   0.0000  2200.98   69.763  ?   ?   797.055   12.646 0.000000 12.64614 
1 1 1   15   27    5 o  1196.21   8.6139  4954.63   71.316  4959.67  101.192  4949.65  100.522  1196.47   12.220  1195.27   12.151 1.200928 17.23308 
1 1 1   15   27    6 o  660.516   5.8417  1510.24   26.705  1508.34   38.038  1512.08   37.502  659.998   8.3271  660.820   8.1997 -0.8227539 11.68657 
1 1 1   15   27    7 o  716.811   8.5072  1779.45   42.205   0.0000   0.0000  1779.45   42.205  ?   ?   716.811   8.5072 0.000000 8.507193 
1 1 1   15   27    8 o  828.036   7.5210  2374.39   43.102  2379.51   74.444  2371.80   52.864  828.354   12.985  827.438   9.2310 0.9154663 15.93171 
1 1 1   15   27    9 o  662.288   5.8804  1518.68   26.954  1536.75   38.829  1501.87   37.447  666.035   8.4233  658.451   8.2170 7.584351 11.76737 
1 1 1   15   27   10 o  468.257   6.3293  759.364   20.512  763.439   24.888  750.732   36.221  469.428   7.6603  465.202   11.250 4.226349 13.61009 
1 1 1   15   27   11 o  180.278   9.1028  113.004   11.321  124.473   13.535   86.293   20.656  189.099   10.381  155.929   19.571 33.17032 22.15437 
1 1 1   15   27   12 o  222.327   9.4054  171.626   14.473  171.626   14.473   0.0000   0.0000  222.327   9.4054  ?   ?  0.000000 9.405404 
1 1 1   15   27   13 o  295.358   6.8237  302.595   13.949  319.875   17.282  270.293   23.628  303.513   8.2269  278.422   12.262 25.09042 14.76599 
1 1 1   15   27   14 o  285.288   5.6239  282.237   11.105  307.214   16.549  261.779   14.977  297.323   8.0419  274.480   7.8838 22.84311 11.26175 
1 1 1   15   27   15 o  288.177   6.1192  288.289   12.205  315.415   21.494  275.380   14.827  300.561   10.332  281.410   7.6127 19.15048 12.83403 
1 1 1   15   27   16 o  129.299   9.4264   58.704   8.3775   64.753   13.007   54.415   10.951  134.663   14.169  123.646   12.991 11.01640 19.22301 
1 1 1   15   27   17 o   53.291   17.659   9.8603   7.5908   1.9437   11.936   15.237   9.8363   48.856   20.613   64.477   19.979 -15.62105 28.70611 
1 1 1   15   27   18 o   73.526   15.661   20.160   7.7258   24.094   11.977   17.356   10.111   79.034   21.378   67.790   20.105 11.24429 29.34719 
1 1 1   15   27   19 o   34.776   15.564  -2.5785   7.7034  -2.5106   11.929  -2.6270   10.089   43.825   19.509   40.122   17.895 3.703690 26.47299 
1 1 1   15   29    0 o  747.102   6.2072  1932.05   32.096  1899.51   63.393  1943.27   37.219  740.499   12.369  749.234   7.1775 -8.735413 14.30079 
1 1 1   15   29    1 o  198.202   7.0794  135.991   9.7113  130.244   19.888  137.791   11.128  193.276   14.985  199.499   8.0595 -6.223114 17.01472 
1 1 1   15   29    2 o  541.980   6.2794  1016.79   23.555  956.097   39.938  1049.17   29.168  525.408   10.983  550.504   7.6554 -25.09619 13.38746 
1 1 1   15   29    3 o  1011.72   10.707  3545.07   74.971  3320.98  100.074  3831.71  113.182  978.852   14.772  1051.34   15.555 -72.48779 21.45095 
1 1 1   15   29    4 o  1001.30   7.5115  3471.09   52.055  3451.93   73.508  3490.37   73.727  998.310   10.639  1003.85   10.612 -5.544312 15.02629 
1 1 1   15   29    5 o  522.905   5.4777  946.472   19.824  951.800   28.494  941.473   27.599  524.302   7.8522  521.457   7.6472 2.844849 10.96071 
1 1 1   15   29    6 o  531.119   5.5222  976.480   20.299  973.206   29.112  979.578   28.319  530.141   7.9343  531.883   7.6927 -1.742859 11.05128 
1 1 1   15   29    7 o  626.381   6.5221  1358.44   28.275  1254.63   46.502  1419.33   35.615  601.682   11.167  640.182   8.0381 -38.50049 13.75891 
1 1 1   15   29    8 o  967.819   7.3504  3243.85   49.236  3363.46   72.367  3140.76   67.182  985.101   10.614  951.989   10.196 33.11249 14.71818 
1 1 1   15   29    9 o  524.136   6.5057  951.366   23.600  984.610   29.243  889.268   39.967  533.122   7.9254  506.364   11.404 26.75821 13.88760 
1 1 1   15   29   10 o  145.937   15.354   74.898   15.276   46.298   21.850  102.244   21.366  112.498   28.135  170.267   18.424 -57.76929 33.63106 
1 1 1   15   29   11 o  126.176   15.220   56.281   13.023   56.281   13.023   0.0000   0.0000  126.176   15.220  ?   ?  0.000000 15.22018 
1 1 1   15   29   12 o  180.600   10.469  113.777   13.030  113.777   13.030   0.0000   0.0000  180.600   10.469  ?   ?  0.000000 10.46890 
1 1 1   15   29   13 o  252.538   8.6392  221.619   15.100  221.619   15.100   0.0000   0.0000  252.538   8.6392  ?   ?  0.000000 8.639246 
1 1 1   15   29   14 o  233.569   8.7844  189.831   14.201  187.610   19.086  192.585   21.254  231.358   11.960  234.100   13.171 -2.742538 17.79127 
1 1 1   15   29   15 o  123.847   11.928   54.238   10.098   64.288   12.314   33.610   17.643  134.574   13.399   94.157   26.145 40.41751 29.37830 
1 1 1   15   29   16 o  149.869   8.1251   78.539   8.3963   93.750   12.681   66.663   11.204  163.029   11.308  137.190   11.919 25.83955 16.42943 
1 1 1   15   29   17 o  200.939   6.5348  140.584   9.0882  146.020   13.534  136.119   12.265  204.072   9.5821  197.187   8.9868 6.884720 13.13697 
1 1 1   15   29   18 o   58.286   17.099   12.654   7.3473   12.530   10.896   12.758   9.9496   60.170   21.130   59.806   20.222 0.3640175 29.24746 
1 1 1   15   31    0 o  508.647   10.884  896.098   38.318  896.098   38.318   0.0000   0.0000  508.647   10.884  ?   ?  0.000000 10.88443 
1 1 1   15   31    1 o  228.532   7.6251  180.813   12.061   0.0000   0.0000  180.813   12.061  ?   ?   228.532   7.6251 0.000000 7.625144 
1 1 1   15   31    2 o  257.945   13.267  231.171   23.604  231.171   23.604   0.0000   0.0000  257.945   13.267  ?   ?  0.000000 13.26664 
1 1 1   15   31    3 o  141.564   9.7040   69.731   9.4505   71.951   20.998   69.167   10.583  142.257   22.040  140.883   10.939 1.373947 24.60558 
1 1 1   15   31    4 o  586.944   6.5662  1192.64   26.674  1179.51   46.904  1198.91   32.429  583.464   11.615  588.432   7.9626 -4.967346 14.08223 
1 1 1   15   31    6 o  251.705   7.6982  219.395   13.411  194.634   23.330  231.613   16.389  236.449   14.324  258.583   9.1575 -22.13452 17.00108 
1 1 1   15   31    7 o  693.815   6.0530  1666.65   29.066  1705.80   42.311  1631.66   39.999  701.735   8.7116  686.338   8.4204 15.39746 12.11596 
1 1 1   15   31    8 o  619.945   5.7527  1330.70   24.683  1337.64   35.585  1324.26   34.267  621.387   8.2742  618.293   8.0075 3.093567 11.51449 
1 1 1   15   31    9 o  243.382   7.9728  205.245   13.430  183.923   16.074  254.537   24.441  230.307   10.084  270.751   13.043 -40.44383 16.48651 
1 1 1   15   31   10 o  415.153   6.3001  597.070   18.102  628.405   22.398  538.049   30.740  425.804   7.6002  393.637   11.283 32.16687 13.60406 
1 1 1   15   31   11 o  245.908   8.0261  209.758   13.660   0.0000   0.0000  209.758   13.660  ?   ?   245.908   8.0261 0.000000 8.026081 
1 1 1   15   31   12 o  173.292   7.1501  104.177   8.5757  109.647   13.184  100.165   11.290  177.181   10.803  169.478   9.6654 7.702225 14.49569 
1 1 1   15   31   13 o  212.241   6.2981  156.268   9.2516  173.879   14.013  142.659   12.318  223.590   9.0550  202.555   8.7866 21.03571 12.61734 
1 1 1   15   31   14 f   63.721   16.644   14.879   7.4205   3.3131   11.748   22.556   9.5716   50.590   20.823   78.242   18.044 -27.65231 27.55343 
1 1 1   15   31   15 o   44.942   16.803   5.5356   7.0362   11.223   11.096   1.7106   9.0996   59.519   21.280   43.489   18.150 16.03019 27.96875 
1 1 1   15   31   16 o  131.172   11.609   60.979   10.431   54.856   11.905   81.220   21.643  123.637   14.168  147.616   21.843 -23.97877 26.03565 
1 1 1   15   31   17 o  221.302   8.6553  171.434   13.257  171.434   13.257   0.0000   0.0000  221.302   8.6553  ?   ?  0.000000 8.655307 
1 1 1   15   31   18 f   85.082   12.757   26.364   7.2805   35.970   11.096   19.102   9.6476   98.030   16.969   70.551   19.231 27.47913 25.64684 
1 1 1   15   33    0 o  306.889   5.8330  326.012   12.389  309.122   23.994  332.152   14.467  298.708   11.606  309.751   6.7482 -11.04297 13.42536 
1 1 1   15   33    1 o  585.221   6.5620  1185.62   26.579  1109.27   44.541  1227.84   33.122  565.855   11.373  595.495   8.0364 -29.63947 13.92590 
1 1 1   15   33    2 o  696.160   6.0615  1677.67   29.205  1581.46   56.169  1713.32   34.191  675.581   12.013  703.479   7.0223 -27.89764 13.91463 
1 1 1   15   33    3 o  673.928   5.9707  1572.25   27.849  1614.63   58.152  1559.63   31.724  682.578   12.309  671.184   6.8292 11.39410 14.07692 
1 1 1   15   33    4 o  319.298   7.0248  352.989   15.524  341.805   27.344  358.308   18.858  314.023   12.581  321.658   8.4708 -7.635162 15.16713 
1 1 1   15   33    5 o  493.019   6.1973  841.523   21.147   0.0000   0.0000  841.523   21.147  ?   ?   493.019   6.1973 0.000000 6.197347 
1 1 1   15   33    6 o  264.508   6.7856  242.261   12.422  236.844   17.986  247.202   17.178  261.444   9.9397  267.122   9.2913 -5.677277 13.60607 
1 1 1   15   33    7 o  140.505   10.982   68.857   10.594   55.631   15.918   79.375   14.195  125.057   18.987  150.612   13.770 -25.55437 23.45496 
1 1 1   15   33    8 o  621.889   5.8138  1339.19   25.023  1323.03   35.535  1355.08   35.243  617.926   8.3090  625.383   8.1424 -7.457214 11.63350 
1 1 1   15   33    9 o  571.483   6.5900  1131.36   26.066  1125.53   31.554  1143.90   46.250  569.867   8.0002  574.011   11.642 -4.143555 14.12553 
1 1 1   15   33   10 o   55.778   18.552   10.314   8.3752  -0.1099   12.829   18.055   11.056   49.593   21.164   71.163   21.003 -21.57020 29.81718 
1 1 1   15   33   11 o  225.747   6.0823  176.633   9.5032  176.893   14.175  176.420   12.808  225.696   9.0747  225.466   8.2075 0.2301025 12.23573 
1 1 1   15   33   12 o  345.199   5.1696  412.965   12.351  448.433   18.536  384.646   16.563  359.437   7.4512  332.928   7.1883 26.50934 10.35332 
1 1 1   15   33   13 o  205.286   6.3602  146.240   9.0366  146.818   13.665  145.790   12.047  205.327   9.6160  204.748   8.5009 0.5793610 12.83484 
1 1 1   15   33   14 o   79.789   14.058   23.032   7.4798   30.195   12.053   18.546   9.5387   90.250   19.837   70.893   19.038 19.35719 27.49500 
1 1 1   15   33   15 o  119.186   8.9817   49.856   7.3546   50.257   11.361   49.566   9.6491  118.468   14.135  118.204   11.959 0.2639618 18.51564 
1 1 1   15   33   16 o  134.235   8.6446   63.228   7.9886   68.850   11.093   57.171   11.514  139.352   11.607  126.386   13.366 12.96657 17.70212 
1 1 1   15   33   17 o   56.401   16.174   11.782   6.6407  -5.7758   10.464   23.623   8.5931   38.620   17.626   79.622   16.146 -41.00237 23.90288 
1 1 1   15   33   18 f  101.857   10.477   37.108   7.2808   58.210   10.986   20.580   9.7228  126.954   12.672   72.976   19.047 53.97717 22.87727 
1 1 1   15   35    0 o  428.585   6.4515  635.911   19.137  595.610   31.870  658.635   23.932  414.616   11.106  436.130   7.9283 -21.51367 13.64564 
1 1 1   15   35    1 o  522.693   6.4079  945.839   23.181  880.488   38.834  982.018   28.894  504.106   11.130  532.542   7.8393 -28.43625 13.61393 
1 1 1   15   35    2 o  619.395   6.7266  1328.27   28.836   0.0000   0.0000  1328.27   28.836  ?   ?   619.395   6.7266 0.000000 6.726550 
1 1 1   15   35    3 o  335.650   5.9284  390.020   13.772  341.171   27.885  405.781   15.839  313.705   12.843  342.347   6.6847 -28.64212 14.47851 
1 1 1   15   35    4 o  291.595   6.1907  294.377   12.494  274.537   27.288  299.640   14.053  281.333   14.014  294.173   6.9024 -12.84012 15.62188 
1 1 1   15   35    5 o  573.723   5.6892  1139.56   22.591  1102.44   46.978  1150.72   25.766  563.887   12.037  576.492   6.4576 -12.60510 13.65993 
1 1 1   15   35    6 o  173.291   8.4405  104.030   10.123  111.561   23.555  102.324   11.211  178.009   19.435  171.579   9.4777 6.429642 21.62281 
1 1 1   15   35    7 o  405.159   5.4250  568.359   15.213  517.073   32.147  583.157   17.269  386.055   12.031  410.372   6.0800 -24.31720 13.48027 
1 1 1   15   35    8 o  398.548   7.7473  550.409   21.370   0.0000   0.0000  550.409   21.370  ?   ?   398.548   7.7473 0.000000 7.747265 
1 1 1   15   35    9 o  310.193   8.5116  333.678   18.274  333.678   18.274   0.0000   0.0000  310.193   8.5116  ?   ?  0.000000 8.511626 
1 1 1   15   35   10 o  149.361   8.3775   77.649   8.6252   80.027   13.655   76.071   11.126  151.004   13.198  147.523   10.975 3.481506 17.16506 
1 1 1   15   35   11 o  355.762   5.1895  438.563   12.778  437.881   18.713  439.158   17.490  355.219   7.6115  355.800   7.1026 -0.5819397 10.41065 
1 1 1   15   35   12 o  115.514   10.754   46.895   8.4990   68.439   15.654   37.889   10.121  138.521   16.662  102.988   14.608 35.53315 22.15880 
1 1 1   15   35   13 o  236.862   5.7332  194.633   9.3987  195.075   14.307  194.297   12.466  236.743   8.7318  236.433   7.6178 0.3105469 11.58773 
1 1 1   15   35   14 o   65.285   15.184   15.653   6.7311   21.967   10.561   11.334   8.7350   76.841   19.750   57.372   18.940 19.46974 27.36389 
1 1 1   15   35   15 o   43.037   16.312   4.8672   6.6811   13.123   10.737  -0.3494   8.5348   61.804   21.006   39.718   17.112 22.08643 27.09411 
1 1 1   15   35   16 o  127.343   8.2093   56.889   7.1968   41.713   10.706   69.399   9.7204  107.193   14.828  140.245   10.082 -33.05255 17.93089 
1 1 1   15   35   17 o   53.206   16.080   10.384   6.4224   23.089   10.534   2.8672   8.1027   77.586   19.607   42.370   17.350 35.21606 26.18131 
1 1 1   15   37    0 o  115.233   15.378   46.886   11.958   23.863   20.292   59.136   14.802   85.601   28.880  129.422   16.930 -43.82150 33.47623 
1 1 1   15   37    1 o  214.840   7.7281  159.836   11.491  107.366   22.397  178.584   13.388  174.788   18.810  227.074   8.5185 -52.28627 20.64886 
1 1 1   15   37    2 f  752.588   12.886  1963.90   67.118  1963.90   67.118   0.0000   0.0000  752.588   12.886  ?   ?  0.000000 12.88560 
1 1 1   15   37    3 o  190.386   8.5460  125.549   11.261  100.488   25.013  131.920   12.611  168.497   21.972  195.139   9.3377 -26.64174 23.87363 
1 1 1   15   37    4 o  450.596   8.1718  703.262   25.485   0.0000   0.0000  703.262   25.485  ?   ?   450.596   8.1718 0.000000 8.171798 
1 1 1   15   37    5 o  581.767   6.7764  1172.06   27.285  1200.00   48.790  1159.34   32.913  588.223   11.984  578.507   8.2201 9.716370 14.53241 
1 1 1   15   37    6 o  453.717   5.5057  712.768   17.289  664.878   35.665  727.479   19.767  437.793   11.771  458.341   6.2313 -20.54822 13.31819 
1 1 1   15   37    7 o  482.754   6.5475  807.233   21.877  770.244   38.279  825.173   26.659  471.086   11.741  487.988   7.8934 -16.90244 14.14729 
1 1 1   15   37    8 o  468.134   6.0877  759.151   19.724  726.341   35.822  773.426   23.629  457.337   11.317  472.417   7.2267 -15.07983 13.42770 
1 1 1   15   37    9 o  300.954   6.4285  313.892   13.390  322.780   26.791  310.932   15.460  304.541   12.711  299.456   7.4591 5.084900 14.73776 
1 1 1   15   37   10 f  128.214   11.036   57.612   9.6978   55.220   20.328   58.317   11.034  122.584   24.812  128.768   12.540 -6.184311 27.80094 
1 1 1   15   37   11 o  187.726   7.5572  122.338   9.8188  115.122   18.068  125.363   11.697  180.772   14.564  189.917   8.8987 -9.144989 17.06776 
1 1 1   15   37   12 o   47.125   17.366   6.2702   7.4636   13.093   11.536   1.3576   9.7884   63.134   21.766   44.729   18.758 18.40474 28.73327 
1 1 1   15   37   13 o   87.064   12.296   27.067   7.2029   31.548   11.628   24.277   9.1753   92.558   18.793   81.369   16.847 11.18875 25.23868 
1 1 1   15   37   14 o  143.615   8.7302   72.195   8.6365   71.463   18.380   72.403   9.7837  139.792   19.531  143.588   9.9055 -3.795822 21.89920 
1 1 1   15   37   15 o  127.631   10.473   57.523   9.1695   55.463   18.488   58.195   10.560  120.971   22.920  127.966   12.066 -6.995125 25.90217 
1 1 1   15   37   16 o   59.318   16.738   13.072   7.1710   16.620   18.258   12.425   7.7976   71.756   27.020   58.200   17.747 13.55664 32.32674 
1 1 1   15   37   17 o   46.929   17.395   6.6395   7.5090   0.0000   0.0000   6.6395   7.5090  ?   ?    46.929   17.395 0.000000 17.39478 
1 1 1   15   39    0 o  255.355   7.1718  225.803   12.675  193.610   24.612  237.424   14.787  235.693   15.168  261.818   8.1601 -26.12523 17.22378 
1 1 1   15   39    1 o  782.542   6.5652  2120.37   35.558  1973.66   67.396  2176.96   41.857  754.364   12.908  792.836   7.6280 -38.47192 14.99386 
1 1 1   15   39    2 o  118.670   14.816   49.636   11.904   48.702   21.587   50.044   14.270  115.743   27.377  118.677   17.932 -2.933830 32.72648 
1 1 1   15   39    3 o  349.966   6.9320  424.138   16.790   0.0000   0.0000  424.138   16.790  ?   ?   349.966   6.9320 0.000000 6.932002 
1 1 1   15   39    4 o  381.402   5.9438  503.688   15.690  503.415   34.388  503.760   17.632  380.885   13.045  381.401   6.6797 -0.5161133 14.65559 
1 1 1   15   39    5 o  341.424   7.3472  403.797   17.362  372.390   30.189  419.319   21.223  327.508   13.318  347.848   8.8152 -20.34058 15.97136 
1 1 1   15   39    6 o  530.927   5.6315  976.148   20.694  968.781   43.373  978.319   23.546  528.294   11.862  531.463   6.4013 -3.169434 13.47930 
1 1 1   15   39    7 o  145.133   10.441   73.480   10.418   49.024   20.307   82.214   12.136  115.760   25.984  153.434   11.512 -37.67361 28.41985 
1 1 1   15   39    8 o  298.290   5.7707  308.256   11.914  319.707   27.100  305.513   13.264  303.101   12.918  296.918   6.4545 6.182587 14.44108 
1 1 1   15   39    9 o  403.494   5.2191  564.048   14.575  572.195   32.605  562.014   16.293  405.485   11.618  402.707   5.8458 2.777588 13.00598 
1 1 1   15   39   10 o  271.316   5.9529  255.202   11.178  255.561   24.852  255.111   12.516  270.535   13.273  271.205   6.6679 -0.6697998 14.85355 
1 1 1   15   39   11 o  123.104   8.2347   52.899   6.9756   59.268   19.978   52.014   7.4442  126.817   23.630  121.980   8.8785 4.837143 25.24322 
1 1 1   15   39   12 o   72.811   12.313   19.052   5.9837   20.093   17.972   18.923   6.3457   77.543   27.143   72.389   13.150 5.153793 30.16026 
1 1 1   15   39   13 o  181.154   7.5251  114.163   9.4349  117.805   19.641  113.070   10.757  181.778   15.768  180.136   8.6283 1.641937 17.97423 
1 1 1   15   39   14 o  201.775   6.3657  141.539   8.8897  136.996   12.283  146.537   12.883  198.065   8.9600  204.819   9.0879 -6.753998 12.76211 
1 1 1   15   39   15 o   78.855   12.056   22.422   6.3709   22.914   10.434   22.130   8.0448   77.887   19.422   77.405   15.556 0.4821777 24.88356 
1 1 1   15   39   16 o   66.426   12.723   16.178   5.6363   16.502   9.1508   15.980   7.1546   66.134   18.992   65.297   15.965 0.8364182 24.81048 
1 1 1   15   41    0 o  295.253   6.7650  301.889   13.824  280.098   26.971  309.654   16.100  284.082   13.717  298.992   7.7801 -14.90961 15.77013 
1 1 1   15   41    1 o  924.623   7.2604  2961.01   46.463  2820.49   88.951  3013.73   54.487  901.339   14.259  932.681   8.4407 -31.34204 16.56989 
1 1 1   15   41    2 o  768.890   7.5116  2047.77   39.974   0.0000   0.0000  2047.77   39.974  ?   ?   768.890   7.5116 0.000000 7.511594 
1 1 1   15   41    3 o  539.848   5.8827  1009.16   21.980  970.732   43.227  1022.55   25.526  528.977   11.807  543.365   6.7875 -14.38770 13.61898 
1 1 1   15   41    4 o  231.412   7.7704  185.540   12.445  161.902   28.409  191.154   13.844  214.654   19.330  234.858   8.5171 -20.20395 21.12311 
1 1 1   15   41    5 o  335.252   6.0834  389.279   14.115  361.122   30.324  397.067   15.949  322.352   13.592  338.553   6.8064 -16.20117 15.20083 
1 1 1   15   41    6 o  214.647   9.5240  159.838   14.149  136.439   24.719  171.239   17.255  196.821   18.358  221.776   11.279 -24.95511 21.54603 
1 1 1   15   41    7 o  229.998   10.657  183.755   16.965  188.439   23.269  178.439   24.787  232.085   14.560  225.565   15.981 6.520279 21.61853 
1 1 1   15   41    8 o  228.652   6.5421  181.238   10.353  171.805   23.291  183.561   11.558  221.253   15.304  230.066   7.2584 -8.813766 16.93772 
1 1 1   15   41    9 o  133.640   8.8222   62.307   8.1141   45.346   20.362   65.508   8.8469  110.416   26.894  136.974   9.3887 -26.55848 28.48551 
1 1 1   15   41   10 o  302.119   6.1078  316.558   12.771  337.073   26.725  310.487   14.539  310.689   12.428  299.102   7.0233 11.58701 14.27554 
1 1 1   15   41   11 o  154.867   6.9046   83.278   7.4007   68.390   19.785   85.700   7.9800  136.837   21.608  157.069   7.3407 -20.23140 22.82106 
1 1 1   15   41   12 o  171.411   6.0688  101.997   7.1998   91.707   20.157  103.502   7.7083  159.466   18.614  172.636   6.4514 -13.16971 19.70005 
1 1 1   15   41   13 o   90.578   13.588   29.533   8.2554   12.088   17.717   34.372   9.3302   67.822   26.341   97.692   14.216 -29.87045 29.93280 
1 1 1   15   41   14 o   94.626   7.8850   31.438   5.1170   34.698   17.256   31.124   5.3580   94.638   25.687   94.072   8.3149 0.5658798 26.99962 
1 1 1   15   41   15 o  164.786   5.3128   94.373   6.0592   79.512   19.298   95.998   6.3820  146.337   19.542  166.167   5.5493 -19.83000 20.31437 
1 1 1   15   41   16 o   63.912   12.380   15.003   5.2784   0.0000   0.0000   15.003   5.2784  ?   ?    63.912   12.380 0.000000 12.38010 
1 1 1   15   43    0 o  578.081   5.9465  1157.23   23.792  1099.02   46.004  1178.49   27.798  562.787   11.811  583.297   6.8857 -20.50989 13.67125 
1 1 1   15   43    1 f  349.953   7.2208  424.242   17.489   0.0000   0.0000  424.242   17.489  ?   ?   349.953   7.2208 0.000000 7.220814 
1 1 1   15   43    2 o  115.438   13.833   46.955   10.832   62.537   21.978   41.955   12.449  131.456   25.071  108.475   17.152 22.98149 30.37698 
1 1 1   15   43    3 o  501.919   6.5502  872.645   22.754  804.390   38.407  909.559   28.245  481.399   11.527  512.306   7.9659 -30.90625 14.01203 
1 1 1   15   43    4 o  128.177   12.681   57.639   11.102   69.220   23.870   54.442   12.542  138.105   25.925  124.204   14.886 13.90107 29.89458 
1 1 1   15   43    5 o   91.647   17.041   30.237   10.411   62.732   23.921   22.643   11.564  130.892   27.290   78.978   20.849 51.91398 34.34277 
1 1 1   15   43    6 o  191.676   12.008  128.265   15.849   99.805   21.499  162.146   23.457  167.789   18.838  214.958   15.879 -47.16924 24.63800 
1 1 1   15   43    7 o  196.507   9.5533  134.124   12.993  112.488   22.055  145.625   16.080  178.225   18.132  204.283   11.418 -26.05821 21.42784 
1 1 1   15   43    8 o   99.186   13.343   34.935   8.9271   23.283   21.437   37.379   9.8190   84.534   29.641  102.487   14.226 -17.95354 32.87813 
1 1 1   15   43    9 o   34.525   15.670  -4.7058   8.1282   0.0000   0.0000  -4.7058   8.1282  ?   ?    34.525   15.670 0.000000 15.67041 
1 1 1   15   43   10 f  270.615   6.2101  254.082   11.631  260.732   23.830  252.002   13.326  273.035   12.611  269.392   7.1474 3.642639 14.49521 
1 1 1   15   43   11 o  177.354   6.3283  109.198   7.7679   93.659   20.036  111.947   8.4270  161.434   18.253  179.530   6.7820 -18.09566 19.47267 
1 1 1   15   43   12 o   62.595   13.903   14.334   5.8662   2.8780   18.330   15.641   6.1919   60.298   25.497   65.402   14.095 -5.103840 29.13381 
1 1 1   15   43   13 o  164.239   5.8272   93.711   6.6239   70.195   17.641   97.570   7.1469  138.499   18.897  167.548   6.1631 -29.04976 19.87657 
1 1 1   15   43   14 o   31.626   12.618   1.8579   4.1611  -9.3512   17.146   2.5593   4.2893   49.022   22.445   33.406   12.965 15.61586 25.91998 
1 1 1   15   43   15 o   99.628   7.9268   34.923   5.4207   0.0000   0.0000   34.923   5.4207  ?   ?    99.628   7.9268 0.000000 7.926826 
1 1 1   15   43   16 o   65.161   23.273   15.146   13.269   10.229   18.545   20.302   18.992   64.389   26.293   74.627   27.664 -10.23814 38.16528 
1 1 1   15   45    0 o   49.610   20.663   1.8633   11.759   3.6039   14.363  -1.6746   20.477   56.071   23.045   61.429   26.486 -5.358677 35.10846 
1 1 1   15   45    1 o  515.076   5.8463  918.903   20.841  897.073   41.058  926.480   24.190  508.257   11.672  517.119   6.7587 -8.862000 13.48741 
1 1 1   15   45    2 o  316.454   6.4164  346.937   14.053  310.049   27.316  360.214   16.389  298.621   13.217  322.397   7.3447 -23.77625 15.12040 
1 1 1   15   45    3 o  283.318   6.7742  278.149   13.283  259.171   25.877  284.939   15.478  272.569   13.761  286.693   7.8006 -14.12344 15.81858 
1 1 1   15   45    4 o   67.292   20.713   15.885   10.593   26.098   23.002   13.136   11.933   89.213   30.736   64.121   22.136 25.09181 37.87742 
1 1 1   15   45    5 o  175.887   11.929  108.103   14.436   0.0000   0.0000  108.103   14.436  ?   ?   175.887   11.929 0.000000 11.92890 
1 1 1   15   45    6 o   50.067   19.638   5.2509   9.9218   28.049   21.892  -0.6425   11.131   90.258   29.992   45.594   19.592 44.66464 35.82399 
1 1 1   15   45    7 o  332.679   5.9160  383.642   13.622  374.390   29.080  386.242   15.418  327.629   12.824  333.728   6.6750 -6.099304 14.45761 
1 1 1   15   45    8 o  300.292   6.7005  312.837   13.926   0.0000   0.0000  312.837   13.926  ?   ?   300.292   6.7005 0.000000 6.700510 
1 1 1   15   45    9 o  253.496   5.8777  222.876   10.312  202.537   22.777  228.120   11.566  240.068   13.766  256.395   6.5176 -16.32661 15.23069 
1 1 1   15   45   10 o  312.823   6.0496  339.591   13.098  338.098   26.001  340.099   15.162  310.843   12.086  312.909   7.0011 -2.066620 13.96696 
1 1 1   15   45   11 o  159.771   6.9071   88.717   7.6379   81.659   20.312   89.880   8.2428  149.723   20.110  160.763   7.4082 -11.04013 21.43134 
1 1 1   15   45   12 o  249.372   5.6243  215.928   9.7072  203.512   22.377  218.807   10.774  239.805   13.538  250.937   6.2033 -11.13150 14.89120 
1 1 1   15   45   13 o  169.721   5.7566  100.104   6.7620  106.634   19.641   99.225   7.2023  171.777   16.733  168.923   6.1604 2.853119 17.83055 
1 1 1   15   45   14 o   28.255   11.856   0.5068   3.9138 -25.2976   17.453   1.8732   4.0161   41.353   19.996   31.213   12.414 10.13978 23.53584 
1 1 1   15   45   15 o   89.158   22.254   31.147   13.689   27.366   18.165   36.117   20.826   83.200   27.304   93.754   29.075 -10.55405 39.88576 
1 1 1   15   47    0 o  439.005   5.4790  667.587   16.647  655.260   23.093  680.925   24.021  434.730   7.6750  443.145   7.8319 -8.414795 10.96558 
1 1 1   15   47    1 o   61.494   21.062   12.191   10.794   39.756   21.529   2.9345   12.476  104.166   28.865   51.995   21.437 52.17068 35.95419 
1 1 1   15   47    2 o  453.845   5.8244  713.622   18.295  663.903   35.094  732.177   21.439  436.994   11.603  459.617   6.7396 -22.62259 13.41865 
1 1 1   15   47    3 o  330.152   6.3100  377.755   14.418  301.366   27.306  407.288   16.978  294.132   13.413  342.743   7.1574 -48.61078 15.20350 
1 1 1   15   47    4 o  173.721   11.760  105.487   14.056  114.000   21.887   99.512   18.337  179.508   17.854  167.988   15.964 11.52013 23.94984 
1 1 1   15   47    5 o  230.403   8.7032  184.321   13.879  162.537   24.091  195.143   16.979  214.863   16.322  236.906   10.355 -22.04367 19.32964 
1 1 1   15   47    6 o  233.500   7.3010  189.176   11.799  182.342   25.850  190.975   13.261  227.433   16.535  234.529   8.1696 -7.096466 18.44343 
1 1 1   15   47    7 o  145.408   15.157   74.883   15.030   0.0000   0.0000   74.883   15.030  ?   ?   145.408   15.157 0.000000 15.15746 
1 1 1   15   47    8 o  242.390   6.5725  203.885   11.026  195.951   23.150  206.212   12.540  236.006   14.239  243.675   7.4353 -7.668747 16.06368 
1 1 1   15   47    9 o   46.626   17.572   5.7316   7.7254   9.8683   18.058   4.8049   8.5471   66.665   26.383   46.682   18.250 19.98349 32.08032 
1 1 1   15   47   10 o  186.695   7.6216  121.226   9.8482  118.829   22.176  121.815   10.992  182.016   17.832  187.035   8.4910 -5.019806 19.75066 
1 1 1   15   47   11 o  194.988   6.6958  132.172   9.0363  135.951   21.364  131.348   9.9722  195.097   15.961  194.280   7.4163 0.8167267 17.60001 
1 1 1   15   47   12 o  159.361   6.4147   88.317   7.0752   88.780   19.007   88.243   7.6230  156.308   17.891  159.231   6.9171 -2.923004 19.18188 
1 1 1   15   47   13 o   42.674   14.436   6.0910   5.0705   9.3951   17.736   5.7969   5.2913   64.337   25.916   42.335   14.733 22.00222 29.81077 
1 1 1   15   47   14 o   49.688   10.998   9.0493   3.6822 -18.1122   17.770   10.268   3.7639   44.899   21.292   53.063   10.619 -8.163544 23.79336 
1 1 1   15   49    0 o  232.588   6.8185  187.556   10.976  194.383   15.003  179.692   16.101  236.607   9.1615  227.396   10.230 9.210556 13.73298 
1 1 1   15   49    1 o  149.487   10.859   78.105   11.158   77.322   12.798   80.585   22.786  148.482   12.571  149.447   22.747 -0.9658203 25.98988 
1 1 1   15   49    2 o  106.716   14.830   40.514   10.657   73.707   20.918   28.879   12.385  142.980   21.831   88.836   20.552 54.14436 29.98253 
1 1 1   15   49    3 o  355.553   6.9765  438.425   17.168  417.659   29.437  449.130   21.134  346.245   12.284  359.681   8.4898 -13.43546 14.93197 
1 1 1   15   49    4 o  166.766   9.5762   96.979   11.007   86.927   21.601  100.504   12.792  155.660   20.553  169.585   10.957 -13.92467 23.29107 
1 1 1   15   49    5 o  382.009   5.9996  505.958   15.863  473.220   32.289  516.373   18.212  368.244   12.669  385.815   6.8202 -17.57068 14.38829 
1 1 1   15   49    6 o  380.184   5.9720  501.230   15.714  440.293   33.036  519.049   17.865  354.828   13.452  386.783   6.6734 -31.95490 15.01658 
1 1 1   15   49    7 o  306.156   6.0529  325.142   12.826  329.220   27.523  324.011   14.496  306.756   12.964  305.520   6.8554 1.236450 14.66472 
1 1 1   15   49    8 o  192.366   7.6083  128.608   10.130   94.488   21.226  138.670   11.527  161.963   19.316  199.664   8.3413 -37.70047 21.04031 
1 1 1   15   49    9 o   30.399   14.279  -7.8741   7.6492 -22.2244   18.945  -5.0789   8.3610   45.911   21.834   34.662   15.794 11.24881 26.94780 
1 1 1   15   49   10 o  195.788   7.2881  133.347   9.8760  134.000   22.289  133.188   11.016  193.439   16.816  195.546   8.1398 -2.106949 18.68224 
1 1 1   15   49   11 o  130.005   8.1597   59.160   7.3047   62.195   19.795   58.682   7.8594  128.568   23.095  129.351   8.8317 -0.7833557 24.72595 
1 1 1   15   49   12 o  110.890   8.4894   43.207   6.4660   34.995   18.299   44.379   6.9118   94.604   26.753  112.295   8.9680 -17.69105 28.21633 
1 1 1   15   49   13 o   87.082   9.6705   26.943   5.7300   0.0000   0.0000   26.943   5.7300  ?   ?    87.082   9.6705 0.000000 9.670508 
1 1 1   15   49   14 o   85.900   22.071   28.950   13.192   27.429   18.099   30.673   19.268   83.098   27.254   87.130   28.090 -4.031464 39.13840 
1 1 1   15   51    0 o  241.680   6.4407  202.533   10.773  215.380   14.840  188.215   15.665  249.032   8.6097  232.683   9.7274 16.34874 12.99037 
1 1 1   15   51    1 o  146.845   9.2715   75.230   9.3746   83.678   12.656   64.961   13.954  154.514   11.927  135.439   15.145 19.07532 19.27778 
1 1 1   15   51    2 o  236.346   11.602  194.618   18.979  198.098   24.172  189.024   30.647  237.509   14.778  230.774   19.367 6.734543 24.36122 
1 1 1   15   51    3 o  261.999   7.1369  238.188   12.941  248.537   25.217  234.488   15.079  266.319   13.728  259.823   8.3851 6.496063 16.08594 
1 1 1   15   51    4 o   68.111   23.545   15.165   13.503   16.683   19.843   13.856   18.428   75.933   28.251   71.550   27.097 4.382767 39.14549 
1 1 1   15   51    5 o  170.046   10.306  101.082   12.072   83.463   23.548  107.363   14.060  151.228   23.242  175.024   11.673 -23.79575 26.00869 
1 1 1   15   51    6 o  448.805   5.8687  698.678   18.230  714.634   39.122  694.253   20.603  452.038   12.505  447.232   6.6561 4.805725 14.16581 
1 1 1   15   51    7 o  304.068   6.3421  320.929   13.347  307.951   30.663  323.962   14.825  295.426   15.046  305.398   7.0137 -9.972107 16.60088 
1 1 1   15   51    8 o  226.362   8.7715  178.481   13.742  149.561   23.330  193.847   17.005  204.874   16.596  235.587   10.429 -30.71214 19.60086 
1 1 1   15   51    9 o  164.661   8.0208   94.413   9.1409   73.610   21.278   99.121   10.123  140.903   22.582  168.402   8.7147 -27.49944 24.20507 
1 1 1   15   51   10 o   45.252   16.938   5.6449   7.1542   5.0780   18.675   5.7424   7.7450   62.274   25.997   46.421   17.570 15.85279 31.37760 
1 1 1   15   51   11 o   45.777   16.835   6.1485   7.0089   39.932   20.055   1.4482   7.4806  100.770   27.834   39.438   16.458 61.33267 32.33585 
1 1 1   15   51   12 o   53.762   16.242   10.521   6.5533   0.0000   0.0000   10.521   6.5533  ?   ?    53.762   16.242 0.000000 16.24155 
1 1 1   15   51   13 o   36.613   14.058   3.3745   5.0026   12.444   16.887   2.5020   5.2377   65.629   25.654   35.525   14.162 30.10398 29.30304 
1 1 1   15   53    0 o  241.090   6.5466  201.637   10.924  203.826   15.373  199.405   15.525  242.109   9.1743  239.445   9.3683 2.664642 13.11228 
1 1 1   15   53    1 f   35.817   16.208  -4.6670   8.6161   5.4920   11.281 -18.8908   13.348   52.554   20.836   37.271   17.887 15.28345 27.46064 
1 1 1   15   53    2 o  343.290   6.9444  408.996   16.500  401.707   29.634  412.271   19.863  339.094   12.627  344.443   8.3321 -5.349182 15.12823 
1 1 1   15   53    3 o   40.622   18.205  -4.5049   10.578 -10.0390   18.740  -1.9175   12.814   52.328   23.768   47.564   20.728 4.763935 31.53646 
1 1 1   15   53    4 o   70.232   19.635   18.016   9.9160   14.283   19.090   19.396   11.604   72.436   27.544   73.064   21.505 -0.6273956 34.94506 
1 1 1   15   53    5 f  232.279   8.3747  187.652   13.463   0.0000   0.0000  187.652   13.463  ?   ?   232.279   8.3747 0.000000 8.374650 
1 1 1   15   53    6 o  328.035   6.2508  373.527   14.192  355.122   28.071  379.846   16.448  318.316   12.742  330.635   7.1878 -12.31927 14.62913 
1 1 1   15   53    7 o   76.657   18.425   21.743   9.6547   17.883   20.371   22.862   10.964   76.734   28.609   78.439   20.104 -1.704422 34.96636 
1 1 1   15   53    8 o  141.097   12.752   70.529   12.319   78.098   22.086   67.111   14.842  145.135   22.734  136.704   15.989 8.431015 27.79300 
1 1 1   15   53    9 o  103.901   11.965   38.423   8.4467   39.556   19.187   38.151   9.4072  101.116   26.934  103.142   13.502 -2.025169 30.12907 
1 1 1   15   53   10 o  162.726   7.5452   92.292   8.4978   99.317   21.879   91.044   9.2218  164.489   19.605  161.297   8.2886 3.192276 21.28487 
1 1 1   15   53   11 o  157.315   8.7184   86.841   9.4555   80.829   22.606   88.116   10.410  145.892   23.162  158.253   9.5489 -12.36015 25.05353 
1 1 1   15   53   12 o   56.917   15.710   12.053   6.3915   5.0683   19.319   12.911   6.7729   61.797   26.156   58.822   16.146 2.975811 30.73837 
1 1 1   15   55    0 o   59.991   19.209   12.525   9.0226   3.0333   12.481   22.915   13.058   51.700   21.390   79.022   22.685 -27.32149 31.17901 
1 1 1   15   55    1 o  128.577   10.677   58.043   9.4152   71.532   12.710   41.638   14.016  142.373   13.043  106.716   19.702 35.65694 23.62857 
1 1 1   15   55    2 o  187.452   9.5823  122.695   12.390   94.585   21.083  137.525   15.314  162.218   19.148  198.171   11.211 -35.95270 22.18832 
1 1 1   15   55    3 o  211.073   9.8911  155.280   14.450  151.707   22.140  157.930   19.071  206.994   15.568  211.920   13.066 -4.925644 20.32474 
1 1 1   15   55    4 o  237.339   8.4852  196.023   13.938   0.0000   0.0000  196.023   13.938  ?   ?   237.339   8.4852 0.000000 8.485248 
1 1 1   15   55    5 o  179.500   8.8041  112.222   10.938   92.878   21.282  119.166   12.751  160.203   19.603  184.530   10.021 -24.32693 22.01595 
1 1 1   15   55    6 o   70.328   20.460   18.162   10.558   14.922   20.368   19.353   12.347   73.667   28.346   72.869   22.351 0.7982635 36.09835 
1 1 1   15   55    7 o  107.517   13.705   41.373   9.9667   14.449   20.127   50.120   11.472   72.716   28.122  118.336   14.297 -45.62064 31.54756 
1 1 1   15   55    8 o  197.479   10.110  136.838   13.771   0.0000   0.0000  136.838   13.771  ?   ?   197.479   10.110 0.000000 10.10964 
1 1 1   15   55    9 o  264.492   6.8504  243.512   12.540  245.658   26.266  242.878   14.272  262.625   14.506  263.916   7.8134 -1.290894 16.47682 
1 1 1   15   55   10 o  169.551   7.6286  100.307   8.9521   97.317   21.727  100.918   9.8248  162.259   19.755  169.928   8.3537 -7.668671 21.44844 
1 1 1   15   55   11 o   98.452   13.093   35.041   8.7003   24.946   20.720   37.202   9.5863   81.852   29.099  101.168   14.072 -19.31672 32.32250 
1 1 1   15   57    0 o  228.978   7.4815  182.242   11.857  179.118   14.448  188.683   20.747  226.751   9.2064  231.616   12.995 -4.864777 15.92565 
1 1 1   15   57    1 o  204.558   8.8796  145.714   12.572  135.512   22.331  150.447   15.211  195.062   16.702  207.308   10.637 -12.24551 19.80168 
1 1 1   15   57    2 o  123.973   12.192   54.331   10.326   61.342   11.812   31.615   21.262  131.585   13.146   92.509   29.474 39.07587 32.27289 
1 1 1   15   57    3 o  122.047   14.936   53.260   12.353   0.0000   0.0000   53.260   12.353  ?   ?   122.047   14.936 0.000000 14.93571 
1 1 1   15   57    4 o   60.074   19.900   12.426   9.6400  -4.0800   18.936   18.200   11.200   56.063   24.786   70.609   21.211 -14.54560 32.62285 
1 1 1   15   57    5 o  116.575   12.986   48.352   10.299   35.776   19.324   53.342   12.172   96.751   27.539  122.064   14.704 -25.31262 31.21830 
1 1 1   15   57    6 o   89.230   16.928   29.239   10.072   20.000   20.621   32.133   11.542   78.559   28.878   93.197   18.546 -14.63811 34.32074 
1 1 1   15   57    7 o  221.643   8.5315  171.421   13.088  178.781   24.648  168.532   15.445  223.494   16.041  219.384   10.172 4.110138 18.99447 
1 1 1   15   57    8 o  196.539   8.7064  134.960   11.843   95.756   24.044  147.518   13.608  160.130   22.300  205.274   9.5784 -45.14395 24.27049 
1 1 1   15   57    9 o   74.685   20.640   21.130   11.024  -6.8146   19.425   34.408   13.389   54.106   24.423   95.147   20.903 -41.04170 32.14682 
1 1 1   15   57   10 o   90.954   14.514   30.265   8.8295   0.0000   0.0000   30.265   8.8295  ?   ?    90.954   14.514 0.000000 14.51412 
1 1 1   15   57   11 o   80.066   14.455   23.701   7.7156   1.7985   20.392   27.360   8.3353   60.165   26.185   86.152   14.494 -25.98690 29.92829 
1 1 1   15   59    0 o   89.056   14.894   28.712   8.8563   22.725   11.590   37.115   13.730   78.118   20.988   99.974   20.530 -21.85531 29.35976 
1 1 1   15   59    1 o  249.606   6.4292  216.430   11.107  196.734   14.805  241.786   16.798  237.542   9.0050  263.292   9.2181 -25.75031 12.88659 
1 1 1   15   59    2 o  164.806   9.4491   95.093   10.733   94.488   15.974   95.592   14.492  163.073   14.297  164.443   12.835 -1.369308 19.21312 
1 1 1   15   59    3 o   70.847   20.907   18.471   10.955   11.195   20.588   21.345   12.939   70.193   28.046   75.994   22.791 -5.801186 36.13903 
1 1 1   15   59    4 o  175.268   11.481  108.204   13.850  122.683   22.235   99.024   17.705  184.568   17.620  166.406   15.553 18.16191 23.50215 
1 1 1   15   59    5 o  160.379   9.6680   90.251   10.681   78.439   20.284   94.783   12.564  145.900   20.665  164.008   11.135 -18.10794 23.47402 
1 1 1   15   59    6 o   97.505   17.595   35.051   11.437   40.834   21.151   32.661   13.596  102.010   28.733   92.879   21.564 9.130165 35.92445 
1 1 1   15   59    7 o  127.799   12.944   58.308   11.291   69.366   22.445   54.561   13.065  134.463   25.039  122.685   15.750 11.77867 29.58112 
1 1 1   15   59    8 o   42.927   17.811   2.2059   8.6906   13.815   19.068  -0.8377   9.7636   69.878   27.276   41.712   18.136 28.16612 32.75465 
1 1 1   15   59    9 o   52.733   19.822   8.1404   9.8184   0.0000   0.0000   8.1404   9.8184  ?   ?    52.733   19.822 0.000000 19.82233 
1 1 1   15   61    0 o  132.062   12.845   61.958   11.592   49.610   19.540   68.664   14.400  113.897   25.431  138.374   15.291 -24.47643 29.67389 
1 1 1   15   61    1 f  147.509   9.4372   76.319   9.5842   62.429   13.079   92.428   14.085  132.078   14.549  161.563   12.699 -29.48514 19.31127 
1 1 1   15   61    2 o  196.967   9.1393  135.489   12.459  123.512   22.789  140.595   14.880  184.859   18.042  200.007   10.789 -15.14795 21.02155 
1 1 1   15   61    3 o   38.843   16.752  -0.4393   8.1964   6.1044   10.710  -9.6888   12.733   51.779   20.374   40.933   18.956 10.84574 27.82842 
1 1 1   15   61    4 o   95.262   15.903   33.141   10.116   11.776   21.670   39.094   11.438   71.252   28.666  103.446   16.533 -32.19461 33.09144 
1 1 1   15   61    5 o   75.573   18.797   21.430   9.7911   14.044   18.938   24.125   11.438   70.440   27.269   79.882   20.566 -9.442696 34.15475 
1 1 1   15   61    6 o   40.466   17.725  -1.5101   9.4778   11.507   18.981  -5.8341   10.939   67.772   26.977   39.793   18.107 27.97931 32.49009 
1 1 1   15   61    7 o   39.678   17.548  -2.2597   9.4979   20.966   19.922  -9.0914   10.805   77.655   28.409   36.988   17.242 40.66684 33.23216 
1 1 1   15   61    8 o   56.011   20.593   9.8779   10.486   0.0000   0.0000   9.8779   10.486  ?   ?    56.011   20.593 0.000000 20.59277 
1 1 1   15   63    0 o  105.033   15.275   40.008   10.779   43.919   12.459   28.366   21.495  109.590   16.975   87.385   29.722 22.20470 34.22756 
1 1 1   15   63    1 o  137.797   9.8396   66.823   9.3225   71.454   13.162   62.160   13.206  141.474   13.610  131.504   14.764 9.969803 20.08061 
1 1 1   15   63    2 o   37.254   16.565  -2.6982   8.5759   0.6517   11.791  -6.4609   12.496   47.377   20.256   42.629   19.380 4.748100 28.03358 
1 1 1   15   63    3 o   61.192   18.577   13.697   8.5580   14.959   11.498   12.129   12.814   65.000   21.740   62.113   22.775 2.886963 31.48565 
1 1 1   15   63    4 o  212.856   7.7126  158.080   11.362  176.878   22.144  151.363   13.237  222.456   14.461  207.926   9.1985 14.52985 17.13892 
1 1 1   15   63    5 o   54.659   21.536   7.2146   11.983   11.634   19.107   4.3493   15.384   67.763   27.037   56.473   23.587 11.29083 35.87955 
1 1 1   15   63    6 o  135.010   10.797   64.647   10.005   66.341   19.959   64.079   11.562  131.659   22.725  133.820   12.633 -2.160843 26.00038 
1 1 1   15   63    7 o   31.104   14.980 -13.6388   9.5613 -30.4585   19.352  -8.2070   10.997   42.218   20.564   37.862   17.563 4.355694 27.04329 
1 1 1   15   65    0 o  104.598   19.201   40.912   13.388   37.059   16.860   47.488   22.026   97.453   24.904  108.873   28.790 -11.42030 38.06673 
1 1 1   15   65    1 o   95.312   19.971   34.321   12.753   0.0000   0.0000   34.321   12.753  ?   ?    95.312   19.971 0.000000 19.97135 
1 1 1   15   65    2 o   53.476   18.835   9.4179   8.6617   12.786   11.727   5.3740   12.849   61.725   21.896   53.804   21.919 7.920612 30.98186 
1 1 1   15   65    3 o  170.199   9.8840  102.081   11.593  107.268   19.367   99.185   14.472  171.806   16.490  166.816   12.628 4.989395 20.77006 
1 1 1   15   65    4 o   54.641   20.545   8.8109   10.549   0.6473   17.642   13.355   13.162   56.301   24.429   63.546   23.115 -7.244118 33.63129 
1 1 1   15   65    5 o  143.417   10.013   72.764   9.8763   79.561   20.065   70.591   11.346  145.238   20.533  140.669   11.762 4.569107 23.66323 
1 1 1   15   67    0 o  180.772   8.3011  114.415   10.386  113.732   13.978  115.257   15.518  178.999   11.342  179.696   12.556 -0.6964722 16.91999 
1 1 1   15   67    1 o  150.975   9.2970   80.342   9.6673   84.211   12.845   75.287   14.682  153.596   12.183  144.068   14.942 9.527969 19.27888 
1 1 1   16    0    1 o  230.061   10.697  184.439   16.949  184.439   16.949  184.439   16.949  230.061   10.697  230.061   10.697 0.000000 0.000000 
1 1 1   16    0    2 o  709.676   11.640  1745.37   57.136  1745.37   57.136  1745.37   57.136  709.676   11.640  709.676   11.640 0.000000 0.000000 
1 1 1   16    0    3 o   42.503   22.737   8.9470   9.1485   8.9470   9.1485   8.9470   9.1485   42.503   22.737   42.503   22.737 0.000000 0.000000 
1 1 1   16    0    4 o   74.193   20.718   23.014   9.2049   23.014   9.2049   23.014   9.2049   74.193   20.718   74.193   20.718 0.000000 0.000000 
1 1 1   16    0    5 o  698.527   11.583  1690.73   55.963  1690.73   55.963  1690.73   55.963  698.527   11.583  698.527   11.583 0.000000 0.000000 
1 1 1   16    0    6 o  575.445   7.4593  1146.70   29.697  1146.70   29.697  1146.70   29.697  575.445   7.4593  575.445   7.4593 0.000000 0.000000 
1 1 1   16    0    7 o  1005.91   10.531  3503.88   73.297  3503.88   73.297  3503.88   73.297  1005.91   10.531  1005.91   10.531 0.000000 0.000000 
1 1 1   16    0    8 o  221.419   8.8927  170.517   13.578  170.517   13.578  170.517   13.578  221.419   8.8927  221.419   8.8927 0.000000 0.000000 
1 1 1   16    0    9 o  137.074   20.000   69.122   17.794   69.122   17.794   69.122   17.794  137.074   20.000  137.074   20.000 0.000000 0.000000 
1 1 1   16    0   10 o  151.252   14.033   81.260   14.400   81.260   14.400   81.260   14.400  151.252   14.033  151.252   14.033 0.000000 0.000000 
1 1 1   16    0   11 o  146.384   15.207   76.627   15.026   76.627   15.026   76.627   15.026  146.384   15.207  146.384   15.207 0.000000 0.000000 
1 1 1   16    0   12 o  142.766   16.081   73.326   15.371   73.326   15.371   73.326   15.371  142.766   16.081  142.766   16.081 0.000000 0.000000 
1 1 1   16    0   13 o  544.480   8.0589  1027.47   30.354  1027.47   30.354  1027.47   30.354  544.480   8.0589  544.480   8.0589 0.000000 0.000000 
1 1 1   16    0   14 o   25.484   18.097 -18.2004   13.574 -18.2004   13.574 -18.2004   13.574   25.484   18.097   25.484   18.097 0.000000 0.000000 
1 1 1   16    0   15 o  159.100   14.491   90.397   15.653   90.397   15.653   90.397   15.653  159.100   14.491  159.100   14.491 0.000000 0.000000 
1 1 1   16    0   16 o   26.506   18.663 -14.8965   13.450 -14.8965   13.450 -14.8965   13.450   26.506   18.663   26.506   18.663 0.000000 0.000000 
1 1 1   16    0   17 o   36.275   23.518   0.2874   14.016   0.2874   14.016   0.2874   14.016   36.275   23.518   36.275   23.518 0.000000 0.000000 
1 1 1   16    0   18 o  114.995   30.316   58.146   20.846   58.146   20.846   58.146   20.846  114.995   30.316  114.995   30.316 0.000000 0.000000 
1 1 1   16    0   19 o   37.592   23.607   4.5304   12.817   4.5304   12.817   4.5304   12.817   37.592   23.607   37.592   23.607 0.000000 0.000000 
1 1 1   16    0   20 o   27.125   18.736  -6.6620   11.863  -6.6620   11.863  -6.6620   11.863   27.125   18.736   27.125   18.736 0.000000 0.000000 
1 1 1   16    2    0 o  408.189   4.8253  576.795   13.632  551.971   19.146  602.320   19.414  399.234   6.9290  417.054   6.7260 -17.82013 9.656614 
1 1 1   16    2    1 o  605.806   6.1671  1270.77   25.858  1246.34   44.250  1283.44   31.864  599.606   10.663  608.728   7.5632 -9.121826 13.07273 
1 1 1   16    2    2 o  891.734   7.8057  2754.43   48.176  2785.85   84.375  2739.23   58.681  895.938   13.607  889.062   9.5365 6.876709 16.61606 
1 1 1   16    2    3 o  343.571   5.4981  408.676   13.074  406.537   22.956  409.703   15.906  342.507   9.6839  343.966   6.6813 -1.458191 11.76506 
1 1 1   16    2    4 o  915.604   7.9534  2903.51   50.401  2943.42   88.531  2884.38   61.305  921.091   13.887  912.397   9.7082 8.694031 16.94408 
1 1 1   16    2    5 o  426.891   5.5796  630.856   16.485  623.803   20.210  644.878   28.497  424.460   6.8795  431.466   9.5429 -7.006561 11.76410 
1 1 1   16    2    6 o  220.282   5.7644  167.973   8.7883  171.112   12.605  165.004   12.260  222.294   8.1926  218.292   8.1146 4.002029 11.53106 
1 1 1   16    2    7 o  559.579   5.3036  1083.85   20.541  1070.31   28.953  1097.57   29.146  556.008   7.5237  563.044   7.4792 -7.035706 10.60868 
1 1 1   16    2    8 o  197.155   6.7380  134.559   9.1943  133.944   13.049  135.167   12.957  196.668   9.5863  197.565   9.4761 -0.8971558 13.47936 
1 1 1   16    2    9 f  259.231   6.8219  232.645   12.240  228.293   20.575  235.029   15.227  256.699   11.581  260.529   8.4446 -3.829437 14.33280 
1 1 1   16    2   10 o  1202.43   9.9811  5008.72   83.064  5057.54  102.835  4917.07  140.896  1207.94   12.300  1190.15   17.105 17.79272 21.06845 
1 1 1   16    2   11 o  448.888   5.5227  697.596   17.158  722.633   24.463  673.354   24.072  456.780   7.7380  440.923   7.8881 15.85669 11.04979 
1 1 1   16    2   12 o  441.037   5.6450  673.508   17.231  657.367   24.311  689.803   24.427  435.593   8.0638  446.220   7.9095 -10.62708 11.29531 
1 1 1   16    2   13 o  101.083   15.302   36.354   10.370   11.182   14.608   61.927   14.724   64.799   24.214  132.334   16.430 -67.53580 29.26178 
1 1 1   16    2   14 o   67.021   21.885   15.286   11.675   21.282   14.178   2.6556   20.577   77.586   23.978   64.558   27.142 13.02773 36.21591 
1 1 1   16    2   15 o   86.116   17.639   27.020   10.160   14.987   14.357   39.089   14.379   68.703   24.243  103.304   20.830 -34.60090 31.96332 
1 1 1   16    2   16 o  169.323   8.9677  100.086   10.472  101.652   14.856   98.540   14.763  169.904   12.726  167.240   12.853 2.663651 18.08714 
1 1 1   16    2   17 o   91.616   18.956   31.094   11.623   14.493   21.797   37.690   13.740   74.406   29.129  100.657   20.420 -26.25045 35.57397 
1 1 1   16    2   18 o   89.591   16.200   29.512   9.6753   11.700   13.745   47.006   13.622   62.576   23.467  112.975   18.027 -50.39907 29.59175 
1 1 1   16    2   19 o   54.328   19.521   9.5848   9.3484   7.3152   13.970   11.425   12.580   57.197   23.014   60.411   22.491 -3.213467 32.17894 
1 1 1   16    2   20 o   40.588   17.294   0.9276   8.5415   1.3762   12.246   0.5025   11.920   47.949   20.575   46.566   20.142 1.383408 28.79314 
1 1 1   16    4    0 o  382.775   4.8929  507.216   12.962  481.806   18.142  533.716   18.527  372.991   7.0277  392.579   6.8187 -19.58783 9.792003 
1 1 1   16    4    1 o  238.953   6.0769  197.707   10.050  191.707   17.290  200.768   12.351  235.162   10.623  240.763   7.4119 -5.600906 12.95340 
1 1 1   16    4    2 o  283.115   5.7028  277.518   11.175  278.146   19.504  277.211   13.634  283.288   9.9474  282.923   6.9628 0.3651428 12.14217 
1 1 1   16    4    3 o  616.043   6.2243  1314.06   26.538  1267.81   44.916  1338.88   32.894  604.763   10.731  621.742   7.6442 -16.97852 13.17526 
1 1 1   16    4    4 o  525.187   5.8487  954.914   21.259  978.537   37.830  944.010   25.702  531.400   10.286  522.125   7.1123 9.275024 12.50539 
1 1 1   16    4    5 o  454.253   5.6903  714.321   17.890  727.805   31.830  708.095   21.630  458.351   10.034  452.231   6.9106 6.120087 12.18312 
1 1 1   16    4    6 o  647.149   7.9221  1450.14   35.483  1495.12   51.925  1410.73   48.601  656.903   11.421  638.122   11.004 18.78052 15.85970 
1 1 1   16    4    7 o  781.888   6.2642  2116.28   33.899  2099.37   47.728  2133.51   48.157  778.633   8.8564  784.938   8.8643 -6.305298 12.53044 
1 1 1   16    4    8 o  593.576   6.2895  1219.65   25.839  1215.12   44.309  1221.98   31.807  592.297   10.809  594.097   7.7355 -1.799622 13.29159 
1 1 1   16    4    9 f  533.524   5.3707  985.288   19.832  974.366   27.943  996.372   28.151  530.493   7.6107  536.451   7.5820 -5.958130 10.74283 
1 1 1   16    4   10 o  230.973   6.8525  184.710   10.954  190.398   15.753  179.385   15.243  234.442   9.7086  227.562   9.6781 6.880585 13.70847 
1 1 1   16    4   11 o  459.818   6.3308  732.082   20.147  743.774   24.965  710.244   34.118  463.409   7.7838  452.661   10.890 10.74838 13.38603 
1 1 1   16    4   12 o  206.339   11.307  148.115   16.085   0.0000   0.0000  148.115   16.085  ?   ?   206.339   11.307 0.000000 11.30662 
1 1 1   16    4   13 o  299.100   7.3053  310.003   15.123  303.373   18.555  323.122   26.100  295.776   9.0641  304.979   12.365 -9.202911 15.33122 
1 1 1   16    4   14 o  294.566   6.4057  300.750   13.060  295.578   18.231  306.200   18.716  291.793   9.0275  296.982   9.1057 -5.188324 12.82220 
1 1 1   16    4   15 o  227.025   7.3895  178.901   11.611  159.079   16.247  199.594   16.600  213.401   11.038  239.492   10.015 -26.09067 14.90371 
1 1 1   16    4   16 o  154.187   13.166   83.928   13.915   0.0000   0.0000   83.928   13.915  ?   ?   154.187   13.166 0.000000 13.16575 
1 1 1   16    4   17 o  113.063   12.868   45.517   9.8905   45.801   14.231   45.251   13.756  111.628   19.106  111.121   18.540 0.5070801 26.62266 
1 1 1   16    4   18 o  201.198   7.7077  141.170   10.733  146.520   15.577  136.334   14.810  203.855   11.082  196.673   10.923 7.182419 15.56031 
1 1 1   16    4   19 o  122.121   12.159   53.372   10.140   74.531   15.225   36.505   13.593  143.103   15.626   97.644   20.754 45.45870 25.97876 
1 1 1   16    4   20 o   77.633   19.087   23.339   10.184   27.794   13.053   16.410   16.279   83.671   22.181   68.590   25.574 15.08073 33.85344 
1 1 1   16    6    0 o  572.086   5.2905  1133.07   20.948  1113.74   29.531  1152.66   29.719  567.058   7.5244  576.888   7.4433 -9.829407 10.58390 
1 1 1   16    6    1 o  330.108   5.5339  377.282   12.643  353.610   21.510  389.777   15.628  319.425   9.7296  335.492   6.7305 -16.06653 11.83068 
1 1 1   16    6    2 o  995.274   8.4839  3431.71   58.441  3279.51   96.968  3518.52   73.235  971.945   14.415  1007.49   10.503 -35.54449 17.83521 
1 1 1   16    6    3 o  842.545   7.5107  2458.56   43.798  2481.46   76.762  2447.51   53.330  845.767   13.114  840.484   9.1678 5.283081 16.00044 
1 1 1   16    6    4 o  546.781   5.2029  1034.94   19.690  1070.75   28.445  1002.01   27.282  556.066   7.3910  537.923   7.3278 18.14288 10.40788 
1 1 1   16    6    5 o  878.701   7.7473  2673.63   47.116  2758.54   84.681  2635.56   56.704  891.946   13.717  872.294   9.3923 19.65228 16.62469 
1 1 1   16    6    6 o  252.395   6.3799  220.530   11.145  219.805   20.771  220.823   13.207  251.864   11.916  252.543   7.5558 -0.6794281 14.10930 
1 1 1   16    6    7 o  604.451   7.7199  1264.96   32.296   0.0000   0.0000  1264.96   32.296  ?   ?   604.451   7.7199 0.000000 7.719857 
1 1 1   16    6    8 o  791.833   6.3413  2170.45   34.753  2194.23   49.718  2147.74   48.597  796.030   9.0241  787.558   8.9157 8.471558 12.68556 
1 1 1   16    6    9 o  315.712   5.5023  345.020   12.023  352.206   17.031  337.883   16.975  318.942   7.7155  312.387   7.8512 6.555237 11.00774 
1 1 1   16    6   10 o  777.375   6.3565  2092.20   34.200  2097.96   48.614  2086.55   48.122  778.269   9.0252  776.154   8.9582 2.114807 12.71628 
1 1 1   16    6   11 o  653.755   5.9063  1479.76   26.724  1487.48   37.987  1472.19   37.604  655.295   8.3757  651.921   8.3342 3.374268 11.81571 
1 1 1   16    6   12 o  407.126   8.0447  574.277   22.668  574.277   22.668   0.0000   0.0000  407.126   8.0447  ?   ?  0.000000 8.044735 
1 1 1   16    6   13 o  352.426   5.9969  430.221   14.627  438.393   20.911  422.391   20.469  355.590   8.4968  349.042   8.4729 6.548035 11.99940 
1 1 1   16    6   14 o  346.612   8.4021  416.922   20.156  416.922   20.156   0.0000   0.0000  346.612   8.4021  ?   ?  0.000000 8.402137 
1 1 1   16    6   15 o  206.988   7.8169  148.778   11.198  139.675   16.166  157.175   15.527  199.785   11.743  212.446   10.560 -12.66092 15.79283 
1 1 1   16    6   16 o  205.290   10.664  147.500   15.100   0.0000   0.0000  147.500   15.100  ?   ?   205.290   10.664 0.000000 10.66395 
1 1 1   16    6   17 o  141.961   11.993   71.235   11.673   64.780   20.097   74.522   14.340  131.770   22.866  144.530   14.533 -12.75960 27.09337 
1 1 1   16    6   18 o   38.372   16.964  -2.2519   8.8690 -20.4868   12.914   14.026   12.201   35.157   17.050   64.142   22.369 -28.98482 28.12612 
1 1 1   16    6   19 o   59.530   22.952   10.069   13.374   10.069   13.374   0.0000   0.0000   59.530   22.952  ?   ?  0.000000 22.95160 
1 1 1   16    6   20 o   41.841   18.640  -2.5790   10.912  -2.0491   12.830  -3.9644   20.746   45.854   20.331   56.233   25.324 -10.37887 32.47578 
1 1 1   16    8    0 o  415.862   4.8688  598.693   14.013  563.529   19.355  637.437   20.316  403.389   6.9324  429.031   6.8419 -25.64188 9.740135 
1 1 1   16    8    1 o  231.080   6.2427  184.897   9.9841  152.781   16.911  202.083   12.370  209.572   11.705  241.551   7.3994 -31.97948 13.84805 
1 1 1   16    8    2 o  740.519   6.9068  1899.00   35.399  1812.19   59.349  1946.93   44.103  722.901   11.862  749.671   8.5000 -26.77026 14.59304 
1 1 1   16    8    3 o  202.189   8.0725  141.593   11.297  141.593   11.297   0.0000   0.0000  202.189   8.0725  ?   ?  0.000000 8.072522 
1 1 1   16    8    4 f  785.094   6.2095  2133.95   33.741  2151.80   48.252  2116.87   47.199  788.190   8.8452  781.775   8.7232 6.414795 12.42307 
1 1 1   16    8    5 o  691.529   5.7598  1655.44   27.567  1677.66   39.693  1634.73   38.316  696.035   8.2395  687.080   8.0575 8.954407 11.52445 
1 1 1   16    8    6 o  713.992   6.7630  1764.85   33.420  1789.27   58.295  1752.90   40.788  718.625   11.721  711.499   8.2830 7.126770 14.35206 
1 1 1   16    8    7 o  568.144   6.3043  1117.38   24.790  1140.49   44.392  1106.90   29.883  573.797   11.178  565.433   7.6361 8.364014 13.53728 
1 1 1   16    8    8 o  524.883   6.2566  953.686   22.729  998.537   42.255  935.426   26.962  536.893   11.371  519.799   7.4943 17.09424 13.61879 
1 1 1   16    8    9 o  524.142   5.4016  950.953   19.595  939.941   27.726  961.944   27.698  521.028   7.6886  527.094   7.5924 -6.066467 10.80554 
1 1 1   16    8   10 o  1160.04   8.3943  4660.63   67.397  4679.00   95.724  4642.58   94.908  1161.85   11.904  1157.33   11.849 4.520996 16.79562 
1 1 1   16    8   11 o  161.385   14.001   91.064   15.484   0.0000   0.0000   91.064   15.484  ?   ?   161.385   14.001 0.000000 14.00092 
1 1 1   16    8   12 o  251.084   7.1127  218.374   12.360  231.790   17.553  205.178   17.409  258.570   9.8081  243.249   10.340 15.32024 14.25221 
1 1 1   16    8   13 o  301.756   7.3882  315.576   15.430  330.241   18.836  285.659   26.904  308.590   8.8192  286.592   13.564 21.99838 16.17884 
1 1 1   16    8   14 o  259.338   6.8505  233.196   12.296  237.374   17.632  229.240   17.156  261.392   9.7462  256.885   9.6493 4.507507 13.71491 
1 1 1   16    8   15 o  364.638   5.9458  461.067   15.005  452.763   21.836  468.497   20.655  360.909   8.7416  367.237   8.1266 -6.327698 11.93553 
1 1 1   16    8   16 o  225.611   8.3295  177.104   13.006  180.908   16.079  169.902   22.122  227.714   10.202  219.271   14.661 8.442902 17.86166 
1 1 1   16    8   17 o   85.288   16.404   26.677   9.3313   23.655   13.472   29.464   12.938   79.535   23.103   88.530   21.360 -8.994492 31.46404 
1 1 1   16    8   18 o   88.934   17.434   29.365   10.348   11.234   18.086   38.189   12.617   66.652   26.395  101.299   18.684 -34.64695 32.33893 
1 1 1   16    8   19 o   30.825   14.795 -12.4256   9.1390 -12.7465   13.343 -12.1419   12.543   39.791   18.743   38.559   18.166 1.231956 26.10142 
1 1 1   16    8   20 f   72.950   20.509   20.816   10.786  -0.9268   20.003   29.730   12.808   57.144   25.359   86.686   21.462 -29.54203 33.22186 
1 1 1   16   10    0 o  517.949   5.1052  928.728   18.301  878.542   25.031  986.365   26.825  503.666   7.1807  533.674   7.2626 -30.00824 10.21312 
1 1 1   16   10    1 o  839.308   7.5014  2439.75   43.575  2320.00   72.246  2508.22   54.631  817.818   12.764  850.821   9.2773 -33.00232 15.77921 
1 1 1   16   10    2 o   97.173   11.737   33.213   7.7335   22.376   13.297   38.752   9.5066   79.302   22.929  104.844   13.408 -25.54269 26.56146 
1 1 1   16   10    3 o  267.090   5.1230  246.946   9.4701  255.498   13.681  239.079   13.122  271.630   7.2770  262.759   7.2156 8.871246 10.24793 
1 1 1   16   10    4 o  303.288   5.0298  318.402   10.558  320.477   15.492  316.603   14.427  304.226   7.3576  302.393   6.8935 1.833405 10.08235 
1 1 1   16   10    5 o  991.198   8.4537  3402.24   57.994  3500.49  103.076  3356.73   70.151  1004.69   14.823  984.383   10.297 20.30994 18.04860 
1 1 1   16   10    6 o  1016.71   7.4982  3578.87   52.763  3505.92   73.253  3657.53   76.063  1006.06   10.520  1027.57   10.695 -21.50677 15.00202 
1 1 1   16   10    7 o  841.437   6.5660  2450.95   38.238  2497.95   55.003  2406.99   53.196  849.320   9.3571  833.722   9.2189 15.59814 13.13559 
1 1 1   16   10    8 o  327.508   6.3747  371.306   14.450  378.780   26.366  368.097   17.275  330.667   11.521  326.067   7.6547 4.600494 13.83197 
1 1 1   16   10    9 o  1195.40   9.9421  4949.68   82.256  4931.71  143.075  4958.55  100.531  1192.10   17.341  1196.20   12.143 -4.098511 21.16976 
1 1 1   16   10   10 o  476.752   5.3656  786.831   17.705  791.667   25.153  782.083   24.925  478.133   7.6010  475.231   7.5780 2.902100 10.73318 
1 1 1   16   10   11 o  127.978   11.820   57.279   10.351   58.126   14.360   56.363   14.934  128.286   16.560  126.130   17.586 2.156693 24.15543 
1 1 1   16   10   12 o  389.676   5.7491  525.821   15.505  505.153   21.760  547.139   22.100  381.810   8.2343  397.373   8.0355 -15.56308 11.50532 
1 1 1   16   10   13 o  478.602   5.6246  793.398   18.631  805.136   26.462  781.859   26.237  481.912   7.9337  474.890   7.9825 7.022644 11.25448 
1 1 1   16   10   14 o  304.957   8.5812  322.855   18.112  324.878   25.309  320.732   25.931  305.452   11.971  303.437   12.347 2.015137 17.19794 
1 1 1   16   10   15 o  452.908   6.4629  711.636   20.259  703.415   36.482  715.301   24.360  448.991   11.740  453.822   7.7555 -4.831482 14.07027 
1 1 1   16   10   16 f  136.672   10.673   65.620   10.016   66.087   14.469   65.190   13.879  136.011   15.656  135.224   15.087 0.7872009 21.74234 
1 1 1   16   10   17 o  137.592   10.300   66.606   9.7375   73.987   13.979   59.648   13.572  144.037   14.207  128.796   15.539 15.24046 21.05497 
1 1 1   16   10   18 o   47.757   19.305   4.2064   9.8786   11.510   13.219  -5.0293   14.866   61.646   23.034   48.024   21.548 13.62208 31.54229 
1 1 1   16   10   19 f   72.660   19.987   20.199   10.366   35.990   18.788   13.289   12.429   94.422   27.241   62.614   22.507 31.80791 35.33617 
1 1 1   16   10   20 o  103.009   13.484   38.828   9.3826   33.795   13.859   43.087   12.749   92.141   22.030  106.534   17.927 -14.39340 28.40232 
1 1 1   16   12    0 o  292.401   5.1511  295.980   10.425  261.385   14.453  333.494   15.050  274.723   7.6012  310.331   7.0072 -35.60760 10.33820 
1 1 1   16   12    1 o  807.055   7.3388  2255.62   40.993  2084.88   66.557  2359.98   52.033  775.388   12.402  825.352   9.1088 -49.96381 15.38781 
1 1 1   16   12    2 o  285.299   5.9175  281.798   11.685  252.537   19.771  297.505   14.485  269.950   10.582  293.113   7.1402 -23.16241 12.76556 
1 1 1   16   12    3 o  251.984   5.2861  219.801   9.2190  205.387   13.199  233.530   12.882  243.535   7.8310  259.699   7.1668 -16.16440 10.61541 
1 1 1   16   12    4 o  253.620   5.9946  222.677   10.522  192.781   17.626  239.230   13.116  235.885   10.797  262.857   7.2095 -26.97221 12.98238 
1 1 1   16   12    5 o  570.425   5.2914  1126.30   20.890  1123.45   29.739  1129.08   29.352  569.628   7.5431  571.057   7.4266 -1.428711 10.58549 
1 1 1   16   12    6 o  480.046   7.1023  797.793   23.597   0.0000   0.0000  797.793   23.597  ?   ?   480.046   7.1023 0.000000 7.102292 
1 1 1   16   12    7 o  581.421   5.4087  1170.11   21.765  1180.24   31.041  1160.31   30.526  583.867   7.6815  578.917   7.6187 4.950073 10.81896 
1 1 1   16   12    8 o  285.655   5.6619  282.452   11.194  290.001   15.852  274.942   15.810  289.411   7.9138  281.793   8.1061 7.617828 11.32861 
1 1 1   16   12    9 o  438.749   10.090  666.829   30.640  666.829   30.640   0.0000   0.0000  438.749   10.090  ?   ?  0.000000 10.09008 
1 1 1   16   12   10 o  797.732   9.1693  2204.53   50.625  2258.05   74.051  2157.56   69.369  806.896   13.260  788.808   12.706 18.08813 18.36484 
1 1 1   16   12   11 o  733.058   6.2280  1860.75   31.598  1848.32   44.674  1873.20   44.700  730.380   8.8374  735.285   8.7836 -4.905334 12.46001 
1 1 1   16   12   12 o  804.024   6.5772  2239.11   36.600  2232.59   51.714  2245.66   51.808  802.489   9.3109  804.836   9.3006 -2.347778 13.16030 
1 1 1   16   12   13 o  260.500   7.6261  235.255   13.750  240.439   23.339  232.500   17.016  262.926   12.825  258.843   9.4982 4.083282 15.95956 
1 1 1   16   12   14 o  355.813   5.7966  438.789   14.275  445.151   20.797  433.121   19.629  358.084   8.3917  353.260   8.0283 4.823730 11.61349 
1 1 1   16   12   15 o  229.173   8.4182  182.556   13.352  167.862   16.150  214.293   23.735  219.467   10.632  246.967   13.943 -27.49944 17.53432 
1 1 1   16   12   16 o   65.609   19.362   15.637   9.3959   13.851   13.430   17.349   13.150   65.797   23.423   70.428   23.238 -4.630531 32.99420 
1 1 1   16   12   17 o   34.919   16.379  -9.7610   10.004  -4.5055   12.809 -17.9805   16.019   44.919   20.089   42.550   20.189 2.369217 28.48133 
1 1 1   16   12   18 o  125.269   10.850   55.597   9.3140   62.161   13.405   49.471   12.951  131.177   15.037  116.313   16.554 14.86371 22.36408 
1 1 1   16   12   19 o  190.942   7.6486  127.504   10.108  135.414   14.992  120.912   13.686  195.338   11.135  184.706   10.752 10.63170 15.47942 
1 1 1   16   12   20 o  108.243   14.720   43.293   10.742   42.278   20.817   43.661   12.540   99.248   28.687  107.382   17.473 -8.134575 33.58958 
1 1 1   16   14    0 o  371.620   4.9886  478.053   12.831  444.673   17.710  514.930   18.615  358.354   7.1406  385.631   6.9743 -27.27713 9.981468 
1 1 1   16   14    1 o  528.231   5.9337  965.996   21.693  933.659   36.967  982.982   26.791  519.096   10.289  532.799   7.2653 -13.70270 12.59584 
1 1 1   16   14    2 o  442.002   6.9462  676.445   21.250   0.0000   0.0000  676.445   21.250  ?   ?   442.002   6.9462 0.000000 6.946218 
1 1 1   16   14    3 o  439.712   9.7879  669.756   29.788  669.756   29.788   0.0000   0.0000  439.712   9.7879  ?   ?  0.000000 9.787900 
1 1 1   16   14    4 o  176.588   6.5592  107.956   8.0166  106.870   11.558  108.963   11.128  175.397   9.5571  177.143   9.1076 -1.745087 13.20180 
1 1 1   16   14    5 o  207.814   6.1156  149.498   8.7961  140.075   12.720  158.134   12.177  201.119   9.1381  213.704   8.2328 -12.58574 12.29970 
1 1 1   16   14    6 o  305.008   5.2276  322.004   11.035  311.167   15.700  332.585   15.514  299.796   7.5667  309.948   7.2322 -10.15173 10.46706 
1 1 1   16   14    7 o   73.130   15.944   19.266   7.8422   33.106   11.509   7.2712   10.715   96.146   17.956   54.506   20.657 41.63991 27.37051 
1 1 1   16   14    8 o  642.097   5.7035  1427.15   25.346  1435.13   36.140  1419.41   35.557  643.800   8.1107  640.269   8.0240 3.531189 11.40915 
1 1 1   16   14    9 o  457.590   6.0861  724.885   19.275  706.984   23.575  760.976   33.475  451.858   7.5383  468.672   10.320 -16.81467 12.77987 
1 1 1   16   14   10 o   38.744   17.168  -3.2168   9.1361  -0.1930   12.992  -6.1750   12.850   50.043   21.326   44.578   20.016 5.465012 29.24762 
1 1 1   16   14   11 o  549.137   6.5397  1044.28   24.855  1111.71   46.120  1016.68   29.506  566.140   11.770  541.746   7.8694 24.39392 14.15878 
1 1 1   16   14   12 f   39.259   17.737  -5.5903   10.273 -20.2508   15.379   6.2225   13.805   40.967   19.535   57.966   23.027 -16.99949 30.19766 
1 1 1   16   14   13 o  176.281   8.7796  107.811   10.712  115.131   15.737  101.492   14.622  181.492   12.606  170.365   12.488 11.12631 17.74420 
1 1 1   16   14   14 o  376.953   6.7196  492.795   17.531  477.024   32.360  499.347   20.857  369.852   12.642  379.286   7.9452 -9.433868 14.93102 
1 1 1   16   14   15 o  185.188   8.2052  119.203   10.517  105.712   14.833  132.838   14.912  173.468   12.438  194.829   11.105 -21.36029 16.67385 
1 1 1   16   14   16 o  180.835   9.9454  114.471   12.400  111.021   14.871  122.341   22.462  177.576   12.173  184.725   17.789 -7.149338 21.55540 
1 1 1   16   14   17 o   59.341   19.029   12.494   8.8513   8.8423   12.830   15.810   12.227   58.248   22.473   67.058   22.419 -8.809975 31.74363 
1 1 1   16   14   18 f  107.590   12.756   41.535   9.3135   29.834   13.806   51.306   12.617   88.012   22.560  118.720   15.743 -30.70806 27.51014 
1 1 1   16   14   19 o   51.097   19.677   7.1382   9.8217  -1.1283   17.962   10.664   11.731   55.033   24.245   58.254   21.712 -3.221199 32.54577 
1 1 1   16   14   20 o   50.781   18.746   8.2834   8.7038   11.483   12.976   5.6660   11.736   59.651   22.703   51.306   20.929 8.345646 30.87791 
1 1 1   16   16    0 o  537.598   5.2726  1000.45   19.618  928.466   26.501  1087.71   29.180  517.822   7.3945  560.467   7.5225 -42.64539 10.54827 
1 1 1   16   16    1 o  752.143   8.6315  1959.27   44.933  2072.68   66.858  1865.85   60.680  773.266   12.492  733.724   11.949 39.54297 17.28697 
1 1 1   16   16    2 o  1480.58   14.543  7602.35  149.031   0.0000   0.0000  7602.35  149.031  ?   ?   1480.58   14.543 0.000000 14.54346 
1 1 1   16   16    3 o  338.779   4.9986  397.270   11.720  377.347   16.591  417.116   16.559  330.131   7.2613  347.101   6.8930 -16.96970 10.01201 
1 1 1   16   16    4 o  932.646   9.9274  3012.71   64.081   0.0000   0.0000  3012.71   64.081  ?   ?   932.646   9.9274 0.000000 9.927388 
1 1 1   16   16    5 o  636.488   5.6052  1402.29   24.692  1438.78   35.762  1369.04   34.135  644.631   8.0155  628.820   7.8433 15.81079 11.21448 
1 1 1   16   16    6 o  1010.71   7.5023  3536.58   52.480  3600.79   75.679  3477.10   72.840  1019.61   10.724  1001.97   10.504 17.64691 15.01109 
1 1 1   16   16    7 o  1102.81   8.0287  4210.84   61.281  4248.67   87.548  4174.51   85.806  1107.46   11.422  1097.77   11.294 9.694214 16.06254 
1 1 1   16   16    8 o  675.859   6.7375  1581.38   31.516  1624.87   39.754  1507.81   51.708  685.012   8.3850  659.702   11.325 25.31012 14.09112 
1 1 1   16   16    9 o  367.419   5.4405  467.319   13.835  446.051   19.545  488.678   19.587  358.896   7.8683  375.665   7.5333 -16.76880 10.89316 
1 1 1   16   16   10 o  534.022   6.2777  987.425   23.203  1017.07   39.907  972.284   28.518  541.701   10.644  529.834   7.7769 11.86670 13.18249 
1 1 1   16   16   11 o  406.396   5.6096  571.858   15.778  585.243   22.823  559.604   21.837  411.006   8.0233  401.912   7.8503 9.094238 11.22498 
1 1 1   16   16   12 o  720.484   7.2436  1798.64   36.120  1741.95   63.808  1825.37   43.817  708.040   13.021  725.611   8.7249 -17.57080 15.67378 
1 1 1   16   16   13 o  222.499   7.4777  171.663   11.515  185.570   16.966  159.785   15.680  231.100   10.607  214.448   10.565 16.65247 14.97069 
1 1 1   16   16   14 o  150.849   11.222   79.685   11.632   75.529   14.053   88.732   20.733  146.343   14.047  157.488   19.433 -11.14481 23.97836 
1 1 1   16   16   15 o  194.534   7.7758  131.507   10.469  133.539   14.843  129.494   14.769  195.319   11.025  192.305   11.144 3.013947 15.67609 
1 1 1   16   16   16 o  188.993   8.1275  124.345   10.631  136.194   14.935  112.174   15.137  197.010   10.997  178.408   12.334 18.60269 16.52467 
1 1 1   16   16   17 o  140.383   11.586   69.720   11.156   61.134   13.891   85.317   18.724  130.174   15.738  153.202   18.001 -23.02853 23.91082 
1 1 1   16   16   18 o   73.400   17.761   20.264   8.9255   15.623   13.300   24.066   12.039   66.904   23.354   79.303   21.427 -12.39893 31.69372 
1 1 1   16   16   19 o   64.434   18.535   15.734   8.7088   9.7576   13.063   20.514   11.684   58.466   22.644   72.882   21.613 -14.41593 31.30233 
1 1 1   16   16   20 o   43.437   17.872   3.2887   8.6494   4.2438   12.910   2.5108   11.651   51.324   21.534   47.674   20.253 3.649597 29.56137 
1 1 1   16   18    0 o  589.195   6.3021  1201.80   25.699  1072.68   41.594  1281.53   32.685  556.436   10.800  608.364   7.7625 -51.92780 13.30055 
1 1 1   16   18    1 o  403.376   5.8158  563.262   16.237  631.707   29.283  532.878   19.510  427.049   9.9074  392.312   7.1855 34.73724 12.23878 
1 1 1   16   18    2 o  197.740   7.2942  135.380   9.9827  121.024   17.661  142.119   12.101  186.335   13.793  202.582   8.6308 -16.24695 16.27048 
1 1 1   16   18    3 o  720.236   8.4129  1796.25   41.937   0.0000   0.0000  1796.25   41.937  ?   ?   720.236   8.4129 0.000000 8.412915 
1 1 1   16   18    4 o  699.522   5.8880  1693.84   28.507  1696.44   40.565  1691.30   40.069  699.957   8.3734  698.901   8.2835 1.056519 11.77834 
1 1 1   16   18    5 o  1127.66   8.1713  4402.75   63.774  4473.37   91.766  4336.77   88.694  1136.36   11.668  1118.90   11.453 17.46289 16.34963 
1 1 1   16   18    6 o  445.433   5.1146  686.748   15.768  684.772   22.523  688.647   22.081  444.745   7.3172  446.006   7.1532 -1.260620 10.23275 
1 1 1   16   18    7 o  348.619   10.008  420.927   24.147   0.0000   0.0000  420.927   24.147  ?   ?   348.619   10.008 0.000000 10.00754 
1 1 1   16   18    8 o  564.895   5.4788  1104.61   21.420  1108.32   30.685  1101.09   29.915  565.756   7.8365  563.914   7.6649 1.842346 10.96181 
1 1 1   16   18    9 o  354.129   5.5280  434.141   13.549  441.997   19.449  426.732   18.886  357.252   7.8657  351.032   7.7736 6.220184 11.05880 
1 1 1   16   18   10 o  317.907   6.6789  349.975   14.695  360.999   18.535  331.317   24.113  322.818   8.2959  309.128   11.270 13.68988 13.99428 
1 1 1   16   18   11 o  204.314   8.7179  144.667   12.328  137.463   20.941  148.488   15.250  198.270   15.381  206.643   10.700 -8.372437 18.73650 
1 1 1   16   18   12 f  312.763   8.2285  339.127   17.812   0.0000   0.0000  339.127   17.812  ?   ?   312.763   8.2285 0.000000 8.228549 
1 1 1   16   18   13 o  402.436   6.5891  561.414   18.353  565.366   34.204  559.817   21.748  403.003   12.263  401.723   7.8221 1.280182 14.54509 
1 1 1   16   18   14 o  246.646   8.0658  211.271   13.769  241.658   26.150  199.615   16.196  262.373   14.456  239.546   9.7687 22.82674 17.44720 
1 1 1   16   18   15 o  236.287   7.7481  194.056   12.671  180.653   15.785  218.342   21.248  227.647   10.019  249.811   12.289 -22.16403 15.85562 
1 1 1   16   18   16 o  127.477   10.893   57.270   9.5187   62.743   13.678   52.129   13.255  132.395   15.203  120.199   16.358 12.19592 22.33188 
1 1 1   16   18   17 o   81.240   16.756   24.422   9.1083   26.415   12.858   22.416   12.904   83.418   21.967   77.188   22.666 6.229591 31.56425 
1 1 1   16   18   18 o  122.749   13.611   54.251   11.369   34.714   14.104   90.488   19.209   94.951   21.908  156.889   18.018 -61.93702 28.36546 
1 1 1   16   18   19 o   83.193   15.561   25.817   8.6303   30.882   12.896   21.708   11.615   88.911   21.247   74.694   21.381 14.21706 30.14211 
1 1 1   16   20    0 o  456.581   6.0286  721.642   19.051  726.829   33.083  719.069   23.302  458.071   10.435  455.729   7.3876 2.342255 12.78540 
1 1 1   16   20    1 o  807.068   6.4301  2254.89   35.917  2137.17   48.617  2396.34   53.294  785.586   8.9417  831.836   9.2568 -46.24976 12.87021 
1 1 1   16   20    2 o  820.938   7.4869  2333.32   42.539  2192.20   70.524  2414.03   53.334  795.360   12.811  834.912   9.2296 -39.55188 15.78982 
1 1 1   16   20    3 o  856.037   6.6759  2536.81   39.553  2479.49   54.998  2598.22   56.924  846.161   9.3912  866.177   9.4954 -20.01605 13.35502 
1 1 1   16   20    4 o  747.583   6.1327  1934.60   31.731  1900.86   44.463  1969.62   45.299  740.928   8.6705  754.209   8.6779 -13.28088 12.26722 
1 1 1   16   20    5 f  426.154   5.0945  628.585   15.026  633.844   21.703  623.742   20.825  427.888   7.3284  424.470   7.0885 3.417999 10.19566 
1 1 1   16   20    6 o  296.924   6.2311  305.190   12.805  305.803   16.277  304.195   20.743  297.195   7.9133  296.367   10.112 0.8280029 12.84064 
1 1 1   16   20    7 o  398.563   7.6210  550.001   21.023  550.001   21.023   0.0000   0.0000  398.563   7.6210  ?   ?  0.000000 7.620973 
1 1 1   16   20    8 o  332.706   5.5350  383.187   12.745  382.012   18.584  384.230   17.513  332.135   8.0845  333.111   7.5961 -0.9761658 11.09321 
1 1 1   16   20    9 o  249.670   6.4649  215.832   11.171  231.563   15.898  200.488   15.701  258.546   8.8842  240.557   9.4307 17.98848 12.95640 
1 1 1   16   20   10 o  312.021   6.7161  337.154   14.504  342.537   24.156  334.120   18.137  314.304   11.105  310.548   8.4383 3.755707 13.94688 
1 1 1   16   20   11 o  296.889   6.2904  305.277   12.926  301.698   19.023  308.347   17.617  294.998   9.3170  298.274   8.5338 -3.276520 12.63458 
1 1 1   16   20   12 o  349.781   5.7153  423.804   13.836  441.920   20.786  409.390   18.540  356.975   8.4130  343.637   7.7955 13.33826 11.46948 
1 1 1   16   20   13 f  325.074   5.8370  366.230   13.132  390.183   18.918  343.952   18.245  335.301   8.1520  314.786   8.3742 20.51505 11.68682 
1 1 1   16   20   14 o  274.660   6.9398  261.799   13.192  264.765   16.970  257.268   20.972  275.963   8.8850  271.666   11.154 4.296783 14.26025 
1 1 1   16   20   15 o   44.724   18.989   0.6018   10.232 -47.7415   21.673   14.469   11.607   41.303   20.438   65.127   21.843 -23.82400 29.91376 
1 1 1   16   20   16 o   48.105   18.336   5.9815   8.4727   1.5636   13.091   9.1661   11.115   50.884   21.534   56.597   21.126 -5.713802 30.16672 
1 1 1   16   20   17 o   47.516   19.160   4.1976   9.7056 -11.9610   18.049   10.771   11.512   49.093   22.676   58.931   21.590 -9.837666 31.31043 
1 1 1   16   20   18 o  144.182   9.4696   73.297   9.3972   73.221   14.196   73.356   12.537  142.319   14.620  143.164   12.788 -0.8450165 19.42331 
1 1 1   16   20   19 o  100.961   16.445   38.069   11.095   20.131   13.032   85.317   21.151   72.128   23.086  149.126   21.080 -76.99840 31.26211 
1 1 1   16   22    0 o  1030.20   7.6560  3674.50   54.589  3445.53   72.532  3973.65   82.904  997.381   10.507  1071.03   11.184 -73.65100 15.34548 
1 1 1   16   22    1 o  374.076   7.1494  484.444   18.510   0.0000   0.0000  484.444   18.510  ?   ?   374.076   7.1494 0.000000 7.149445 
1 1 1   16   22    2 o  715.464   6.0147  1771.92   29.784  1725.19   41.491  1821.60   42.780  705.867   8.4929  725.321   8.5218 -19.45386 12.03120 
1 1 1   16   22    3 o  1501.22   12.047  7807.48  125.174  7678.05  213.448  7875.32  154.537  1487.12   20.738  1507.30   14.813 -20.18225 25.48542 
1 1 1   16   22    4 o  1091.14   7.9737  4122.04   60.217  4075.30   84.378  4170.55   85.962  1084.68   11.240  1097.28   11.319 -12.59460 15.95162 
1 1 1   16   22    5 o  573.870   5.4935  1139.92   21.819  1117.54   30.562  1163.18   31.161  568.143   7.7722  579.630   7.7676 -11.48627 10.98836 
1 1 1   16   22    6 o  688.151   5.9295  1639.23   28.241  1616.98   39.579  1662.31   40.308  683.366   8.3683  692.876   8.4054 -9.510437 11.86078 
1 1 1   16   22    7 o  710.487   6.0443  1747.48   29.722  1776.58   42.932  1720.70   41.189  716.245   8.6605  704.902   8.4427 11.34222 12.09474 
1 1 1   16   22    8 o  704.042   6.0180  1716.04   29.324  1735.01   42.102  1698.16   40.866  707.768   8.5949  700.222   8.4325 7.545837 12.04070 
1 1 1   16   22    9 o  277.268   6.9401  266.222   13.318  241.317   22.464  279.719   16.538  263.788   12.304  284.165   8.4087 -20.37643 14.90322 
1 1 1   16   22   10 o  319.465   5.8021  353.386   12.829  374.825   19.281  336.357   17.184  328.903   8.4701  311.591   7.9685 17.31186 11.62922 
1 1 1   16   22   11 o  312.045   6.7566  337.322   14.592  367.798   19.468  298.244   22.045  325.727   8.6354  293.167   10.864 32.56018 13.87832 
1 1 1   16   22   12 o  218.987   7.1421  166.239   10.825  147.127   16.393  181.015   14.414  205.405   11.579  228.389   9.1189 -22.98366 14.73832 
1 1 1   16   22   13 o  250.572   6.4247  217.704   11.142  244.339   16.671  196.203   14.979  265.198   9.0827  237.641   9.1070 27.55711 12.86208 
1 1 1   16   22   14 o  262.052   6.1605  238.213   11.173  250.372   16.645  228.241   15.074  268.296   8.9640  256.230   8.5001 12.06631 12.35332 
1 1 1   16   22   15 o  336.725   5.5541  393.373   12.944  418.245   19.269  372.922   17.473  346.727   8.0296  327.469   7.7095 19.25714 11.13152 
1 1 1   16   22   16 o  128.432   13.462   58.775   11.789   0.0000   0.0000   58.775   11.789  ?   ?   128.432   13.462 0.000000 13.46224 
1 1 1   16   22   17 o  174.636   7.9779  106.451   9.6427  122.166   14.609   94.319   12.836  185.922   11.409  163.272   11.431 22.65019 16.14997 
1 1 1   16   22   18 o  142.365   9.3979   71.499   9.2079   78.629   13.719   65.652   12.422  147.856   13.557  135.039   13.470 12.81697 19.11112 
1 1 1   16   22   19 o   50.656   18.414   8.3262   8.3501   15.539   12.486   2.4897   11.231   65.062   22.632   47.320   19.981 17.74247 30.19037 
1 1 1   16   24    0 f  376.852   7.5162  491.668   19.604  491.668   19.604   0.0000   0.0000  376.852   7.5162  ?   ?  0.000000 7.516246 
1 1 1   16   24    1 o  209.959   6.8314  152.604   9.9270  159.178   14.612  146.969   13.529  214.393   9.8473  206.013   9.4881 8.380264 13.67452 
1 1 1   16   24    2 o  305.994   5.6262  324.096   11.915  323.219   17.174  324.910   16.545  305.540   8.1212  306.345   7.8036 -0.8040466 11.26275 
1 1 1   16   24    3 o  200.162   8.0262  138.713   11.119  128.049   19.999  143.485   13.377  191.596   15.206  203.557   9.4952 -11.96016 17.92740 
1 1 1   16   24    4 o  210.488   6.9194  153.377   10.080  157.511   14.716  149.724   13.836  213.264   9.9702  207.931   9.6140 5.333038 13.85039 
1 1 1   16   24    5 o  720.315   11.875  1797.56   59.203   0.0000   0.0000  1797.56   59.203  ?   ?   720.315   11.875 0.000000 11.87539 
1 1 1   16   24    6 o  187.745   7.6380  122.043   9.9249  130.456   14.429  114.488   13.673  193.756   10.803  181.461   10.938 12.29465 15.37349 
1 1 1   16   24    7 o  201.699   7.2241  140.864   10.085  161.653   15.005  123.735   13.620  216.015   10.036  188.691   10.470 27.32410 14.50334 
1 1 1   16   24    8 o  652.832   8.2128  1476.13   37.108   0.0000   0.0000  1476.13   37.108  ?   ?   652.832   8.2128 0.000000 8.212763 
1 1 1   16   24    9 o  758.354   6.2915  1991.39   33.022  2017.78   47.715  1967.13   45.747  763.114   9.0342  753.503   8.7720 9.611145 12.59222 
1 1 1   16   24   10 o  506.221   5.4744  887.323   19.180  942.510   28.876  843.752   25.658  521.553   7.9995  493.509   7.5120 28.04422 10.97371 
1 1 1   16   24   11 o  224.864   7.0414  175.211   10.959  195.954   16.686  159.477   14.532  237.633   10.145  214.398   9.7933 23.23526 14.10083 
1 1 1   16   24   12 o  169.624   12.820  100.755   14.939  100.755   14.939   0.0000   0.0000  169.624   12.820  ?   ?  0.000000 12.82003 
1 1 1   16   24   13 o  198.575   8.2980  136.948   11.405  141.865   15.344  130.878   17.047  201.533   11.042  193.230   12.820 8.303238 16.91976 
1 1 1   16   24   14 o  210.263   6.8491  153.486   9.9672  162.596   14.832  145.985   13.459  216.033   9.9200  204.758   9.4972 11.27519 13.73331 
1 1 1   16   24   15 o  236.205   6.4280  193.780   10.508  197.739   15.802  190.641   14.071  238.075   9.5902  233.932   8.6905 4.143524 12.94206 
1 1 1   16   24   16 o   33.748   15.439  -5.1802   8.0916 -12.5431   12.596  -0.0075   10.558   38.837   18.269   44.454   19.091 -5.616894 26.42360 
1 1 1   16   24   17 o   74.313   18.744   20.820   9.6392   24.059   19.875   19.824   11.022   81.222   28.537   72.473   20.853 8.749290 35.34399 
1 1 1   16   24   18 o   83.252   15.001   25.632   8.3255   36.126   13.092   18.506   10.788   97.152   20.132   69.696   20.790 27.45614 28.93975 
1 1 1   16   24   19 o   33.004   15.474  -7.9728   8.9130 -11.7503   12.599  -4.1883   12.611   38.464   18.147   43.615   19.684 -5.150383 26.77211 
1 1 1   16   26    0 o  417.517   5.3056  603.370   15.332  547.317   29.115  624.877   18.034  397.530   10.582  424.878   6.1328 -27.34842 12.23084 
1 1 1   16   26    1 o  229.560   6.6707  182.424   10.599  176.472   15.315  187.894   14.682  225.742   9.8024  232.944   9.1068 -7.202591 13.37981 
1 1 1   16   26    2 o  900.020   6.9707  2804.19   43.421  2791.28   61.357  2817.15   61.457  897.783   9.8745  901.936   9.8451 -4.152588 13.94391 
1 1 1   16   26    3 o  594.888   6.4860  1225.06   26.705  1253.17   47.368  1211.96   32.333  601.476   11.379  591.653   7.8958 9.822876 13.84987 
1 1 1   16   26    4 o  591.939   6.4458  1212.96   26.408  1189.12   32.305  1260.98   45.848  586.042   7.9645  603.351   10.979 -17.30981 13.56391 
1 1 1   16   26    5 o  528.355   5.4748  966.305   20.020  941.801   28.238  991.073   28.389  521.541   7.8228  535.015   7.6667 -13.47449 10.95325 
1 1 1   16   26    6 o  250.219   6.5275  216.759   11.304  233.767   16.914  203.030   15.197  259.789   9.4070  242.116   9.0688 17.67328 13.06656 
1 1 1   16   26    7 o  575.116   5.5894  1145.04   22.248  1162.60   32.148  1128.90   30.822  579.395   8.0168  570.947   7.7998 8.448425 11.18505 
1 1 1   16   26    8 f  306.052   6.4424  324.334   13.646  381.171   24.868  299.845   16.324  331.608   10.835  294.223   8.0161 37.38504 13.47823 
1 1 1   16   26    9 o  363.158   5.4873  456.629   13.792  499.607   21.253  425.359   18.128  379.749   8.0861  350.426   7.4744 29.32352 11.01138 
1 1 1   16   26   10 o  248.141   6.4530  213.278   11.083  222.954   16.809  205.838   14.740  253.567   9.5782  243.681   8.7396 9.886490 12.96621 
1 1 1   16   26   11 o  578.214   5.6076  1158.10   22.441  1197.76   32.796  1123.19   30.773  587.725   8.0625  569.170   7.8119 18.55426 11.22624 
1 1 1   16   26   12 o  478.716   10.133  796.585   33.573   0.0000   0.0000  796.585   33.573  ?   ?   478.716   10.133 0.000000 10.13298 
1 1 1   16   26   13 o  104.837   12.045   38.842   8.5812   35.379   12.876   41.609   11.510   98.387   19.597  107.766   15.910 -9.378235 25.24249 
1 1 1   16   26   14 o  130.259   9.6931   59.447   8.6762   62.290   12.915   57.107   11.713  132.421   14.319  126.907   13.545 5.513611 19.71037 
1 1 1   16   26   15 o  200.888   7.6405  140.429   10.623  149.854   18.221  135.576   13.075  206.107   12.837  197.074   9.5860 9.032745 16.02138 
1 1 1   16   26   16 o  309.415   5.6423  332.577   12.083  341.466   17.735  324.878   16.507  312.860   8.1905  305.277   7.8125 7.583344 11.31898 
1 1 1   16   26   17 o  115.483   10.560   47.304   8.3471   37.726   12.555   54.892   11.175  100.359   18.765  123.650   13.265 -23.29156 22.97982 
1 1 1   16   26   18 o  127.332   11.276   57.893   9.8342  102.976   20.695   44.744   11.177  166.441   18.266  110.467   15.007 55.97406 23.63976 
1 1 1   16   28    0 o  711.474   8.5354  1752.68   42.030   0.0000   0.0000  1752.68   42.030  ?   ?   711.474   8.5354 0.000000 8.535358 
1 1 1   16   28    1 o  963.266   7.2977  3212.29   48.653  3134.63   95.200  3239.75   56.603  950.989   14.464  967.307   8.4548 -16.31836 16.75365 
1 1 1   16   28    2 o  696.987   6.0516  1681.59   29.192  1650.95   40.881  1713.46   41.700  690.510   8.5541  703.461   8.5648 -12.95111 12.10488 
1 1 1   16   28    3 o  1169.06   9.7797  4733.25   79.129  4688.05   96.203  4827.81  139.134  1163.24   11.949  1179.74   17.040 -16.49939 20.81224 
1 1 1   16   28    4 o  264.250   13.292  242.634   24.232  242.634   24.232   0.0000   0.0000  264.250   13.292  ?   ?  0.000000 13.29198 
1 1 1   16   28    5 o  284.870   6.2535  280.939   12.330  273.544   17.813  287.740   17.083  281.033   9.1580  288.248   8.5630 -7.215118 12.53768 
1 1 1   16   28    7 o  381.629   6.3401  504.270   16.746  505.366   28.779  503.709   20.591  381.844   10.889  381.364   7.8013 0.4798889 13.39553 
1 1 1   16   28    8 o  342.278   5.6838  405.626   13.465  434.072   20.278  383.193   18.008  353.975   8.2770  332.603   7.8226 21.37222 11.38867 
1 1 1   16   28    9 o  244.711   6.5353  207.403   11.069  189.796   16.836  220.808   14.690  233.945   10.398  252.427   8.4083 -18.48152 13.37200 
1 1 1   16   28   10 o  236.625   7.6260  194.054   12.489  171.610   24.046  202.346   14.615  221.422   15.794  241.570   8.7415 -20.14807 18.05198 
1 1 1   16   28   11 o  291.258   6.5712  294.022   13.246  299.206   17.079  286.195   20.985  293.669   8.4030  287.001   10.564 6.667999 13.49879 
1 1 1   16   28   12 o  235.672   6.3581  192.583   10.371  180.149   15.072  203.762   14.292  227.654   9.5659  242.225   8.5249 -14.57120 12.81331 
1 1 1   16   28   13 o   41.906   17.300   1.9067   8.1395   6.9755   12.547  -1.7767   10.696   56.292   22.082   43.380   18.920 12.91235 29.07898 
1 1 1   16   28   14 o  218.365   7.2216  165.708   10.914  193.707   19.692  153.292   13.113  234.889   12.154  209.777   9.0313 25.11195 15.14241 
1 1 1   16   28   15 o   99.355   12.311   35.193   8.2843   39.996   12.767   31.700   10.887  104.339   18.350   92.845   17.587 11.49397 25.41681 
1 1 1   16   28   16 o  142.616   8.6919   71.328   8.5385   74.969   12.529   68.170   11.668  145.195   12.592  138.494   12.301 6.701218 17.60293 
1 1 1   16   28   17 o   37.307   16.204  -0.6920   7.7786   5.2511   12.004  -4.9944   10.213   52.219   21.219   38.730   17.574 13.48859 27.55159 
1 1 1   16   28   18 o  153.669   8.1511   83.059   8.6382   77.341   12.594   88.139   11.871  146.664   12.527  157.300   10.972 -10.63593 16.65281 
1 1 1   16   30    0 f  1124.10   9.4876  4375.98   73.814  4163.90  121.962  4498.56   92.725  1095.76   16.082  1139.51   11.757 -43.74573 19.92112 
1 1 1   16   30    1 o  356.684   11.259  440.732   27.795  440.732   27.795   0.0000   0.0000  356.684   11.259  ?   ?  0.000000 11.25919 
1 1 1   16   30    2 o  747.545   7.1828  1934.71   37.163  1893.17   64.257  1955.59   45.554  739.135   12.561  751.486   8.7585 -12.35101 15.31305 
1 1 1   16   30    3 o  281.633   8.7930  274.680   17.139   0.0000   0.0000  274.680   17.139  ?   ?   281.633   8.7930 0.000000 8.792987 
1 1 1   16   30    4 o  422.914   6.4145  619.202   18.776  607.317   33.120  624.830   22.791  418.644   11.431  424.790   7.7521 -6.145752 13.81149 
1 1 1   16   30    6 o  725.685   7.1345  1823.60   35.833  1845.85   62.691  1812.80   43.670  729.612   12.415  723.416   8.7221 6.196716 15.17234 
1 1 1   16   30    7 o  739.894   6.2848  1895.58   32.184  1910.83   46.055  1881.03   44.993  742.639   8.9602  736.838   8.8227 5.801270 12.57477 
1 1 1   16   30    8 o  881.091   6.9314  2688.82   42.269  2693.78   60.456  2684.08   59.120  881.509   9.9091  879.951   9.7074 1.558105 13.87168 
1 1 1   16   30    9 o  302.824   8.0143  317.802   16.797   0.0000   0.0000  317.802   16.797  ?   ?   302.824   8.0143 0.000000 8.014339 
1 1 1   16   30   10 o  208.578   8.7099  150.902   12.574  161.952   15.309  128.000   22.040  215.984   10.241  190.765   16.867 25.21869 19.73279 
1 1 1   16   30   11 o   68.626   17.903   17.122   8.5925   24.382   12.659   10.921   11.701   81.719   21.927   60.539   21.829 21.17953 30.93991 
1 1 1   16   30   12 o  268.600   7.0237  250.337   13.057  262.900   16.045  225.707   22.466  275.095   8.4272  253.936   12.824 21.15926 15.34545 
1 1 1   16   30   13 o  139.741   11.076   68.569   10.624   72.197   12.825   60.634   18.968  143.008   13.103  128.555   22.116 14.45313 25.70601 
1 1 1   16   30   14 o  389.678   7.7899  528.289   21.009  528.289   21.009   0.0000   0.0000  389.678   7.7899  ?   ?  0.000000 7.789911 
1 1 1   16   30   15 o  172.311   7.4841  103.385   8.9254  105.452   13.447  101.757   11.933  172.994   11.293  170.212   10.176 2.782486 15.20136 
1 1 1   16   30   16 o   94.492   12.337   32.045   7.8754   29.762   11.618   33.986   10.712   88.881   19.428   96.021   16.727 -7.140076 25.63689 
1 1 1   16   30   17 o   87.691   14.001   28.119   8.2116   37.256   11.376   18.180   11.865  100.088   17.033   69.525   22.004 30.56308 27.82566 
1 1 1   16   30   18 o   61.971   16.939   14.606   7.4731   4.4255   10.873   23.722   10.288   48.881   20.066   78.222   19.157 -29.34063 27.74210 
1 1 1   16   32    0 o  239.038   6.7594  197.820   11.183  154.683   21.781  213.261   13.032  210.663   15.038  248.178   7.5868 -37.51576 16.84305 
1 1 1   16   32    1 o   71.751   25.591   15.298   16.038   0.0000   0.0000   15.298   16.038  ?   ?    71.751   25.591 0.000000 25.59074 
1 1 1   16   32    2 o  282.992   7.5801  277.298   14.847  309.415   26.738  262.982   17.851  298.767   12.931  275.549   9.3604 23.21848 15.96306 
1 1 1   16   32    3 o  596.393   5.7263  1231.30   23.637  1167.32   47.018  1252.94   27.343  580.368   11.705  601.578   6.5672 -21.20978 13.42169 
1 1 1   16   32    4 o  326.078   7.1279  368.169   16.086  350.732   28.388  376.416   19.523  318.049   12.896  329.667   8.5567 -11.61835 15.47669 
1 1 1   16   32    5 o  424.620   6.5321  624.292   19.197  596.097   33.706  637.829   23.355  414.666   11.744  429.146   7.8631 -14.48026 14.13358 
1 1 1   16   32    6 o  589.599   5.8432  1203.58   23.844  1235.67   34.597  1174.55   32.909  597.251   8.3695  582.306   8.1655 14.94476 11.69296 
1 1 1   16   32    7 o  409.706   5.7505  581.214   16.306  560.365   23.092  601.951   23.030  402.168   8.2960  416.842   7.9826 -14.67398 11.51283 
1 1 1   16   32    8 o  286.508   6.2362  284.296   12.366  300.963   18.629  271.167   16.534  294.650   9.1352  279.715   8.5405 14.93494 12.50564 
1 1 1   16   32    9 o  446.422   6.3231  690.416   19.537  697.561   36.523  687.552   23.123  448.126   11.776  445.397   7.5010 2.728943 13.96192 
1 1 1   16   32   10 o   69.959   17.750   17.789   8.6083   29.179   12.889   8.6169   11.566   89.343   21.169   57.271   21.517 32.07154 30.18443 
1 1 1   16   32   11 o   35.222   16.345  -8.2105   9.5391  -7.7756   11.395  -9.2293   17.441   39.915   18.283   50.824   23.023 -10.90833 29.39972 
1 1 1   16   32   12 o  276.698   6.9408  265.725   13.292  271.999   16.196  252.781   23.264  279.760   8.3646  268.991   12.496 10.76819 15.03724 
1 1 1   16   32   13 o  202.228   8.3600  142.285   11.701  159.693   14.351  107.756   20.211  214.046   9.6870  173.759   17.024 40.28743 19.58732 
1 1 1   16   32   14 o  402.061   6.3704  561.593   17.727  613.273   22.207  470.829   29.430  419.796   7.6434  366.494   11.603 53.30133 13.89387 
1 1 1   16   32   15 o   97.206   15.414   34.378   10.024   45.991   11.745   3.2429   19.232  112.722   15.462   61.324   26.035 51.39811 30.28016 
1 1 1   16   32   16 o  115.952   15.576   48.964   12.184   48.964   12.184   0.0000   0.0000  115.952   15.576  ?   ?  0.000000 15.57561 
1 1 1   16   32   17 o   32.630   14.619  -2.5806   6.8141   0.0613   10.425  -4.5514   9.0040   43.670   18.863   36.225   16.462 7.445469 25.03605 
1 1 1   16   32   18 o  114.268   9.9498   46.590   7.7904   47.872   11.524   45.512   10.572  113.740   15.006  111.308   14.035 2.432213 20.54623 
1 1 1   16   34    0 o  278.545   7.4674  268.660   14.396  203.756   23.089  309.941   18.414  242.004   13.842  299.142   8.8937 -57.13840 16.45321 
1 1 1   16   34    1 f  336.992   11.875  393.610   27.698  393.610   27.698   0.0000   0.0000  336.992   11.875  ?   ?  0.000000 11.87530 
1 1 1   16   34    2 o  243.469   8.0928  205.288   13.637  166.878   24.926  221.696   16.291  218.625   16.597  252.981   9.3045 -34.35646 19.02693 
1 1 1   16   34    3 o  434.008   6.4662  652.175   19.423  606.341   34.038  674.307   23.652  418.232   11.759  441.261   7.7447 -23.02908 14.08031 
1 1 1   16   34    4 o  186.587   9.3926  120.924   12.091   0.0000   0.0000  120.924   12.091  ?   ?   186.587   9.3926 0.000000 9.392646 
1 1 1   16   34    5 o  676.204   7.0561  1583.51   33.023  1602.93   58.760  1574.54   39.925  679.808   12.489  674.172   8.5566 5.636658 15.13876 
1 1 1   16   34    6 f  264.716   7.1465  242.706   13.093  227.286   18.913  256.898   18.144  256.035   10.673  272.251   9.6294 -16.21652 14.37489 
1 1 1   16   34    7 o  751.201   6.3912  1954.39   33.229  1884.48   46.080  2030.14   47.963  737.344   9.0295  765.308   9.0551 -27.96307 12.78773 
1 1 1   16   34    8 o  537.745   5.6582  1001.49   21.059  974.350   30.021  1027.78   29.547  530.177   8.1815  544.556   7.8395 -14.37970 11.33118 
1 1 1   16   34    9 o  184.852   11.893  119.283   15.135  119.283   15.135   0.0000   0.0000  184.852   11.893  ?   ?  0.000000 11.89284 
1 1 1   16   34   10 o  146.458   9.0662   74.774   9.1448   94.202   13.754   59.383   12.243  164.020   12.204  129.743   13.848 34.27708 18.45760 
1 1 1   16   34   11 f  232.632   7.8205  187.900   12.592  198.118   15.459  167.756   21.706  238.702   9.3570  218.477   14.436 20.22476 17.20326 
1 1 1   16   34   12 f  422.525   5.8510  619.249   17.110  633.659   29.536  611.970   20.991  426.457   10.007  419.778   7.2251 6.679413 12.34254 
1 1 1   16   34   13 o  132.370   8.8530   61.305   8.0639   62.162   12.093   60.619   10.821  132.381   13.383  131.011   12.069 1.369629 18.02127 
1 1 1   16   34   14 o  297.670   5.5080  307.609   11.348  333.445   17.299  288.096   15.034  309.352   8.0797  287.672   7.5510 21.68042 11.05894 
1 1 1   16   34   15 o   93.805   13.081   31.684   8.2616   28.917   14.765   32.945   9.9681   86.783   23.847   94.917   15.724 -8.133743 28.56470 
1 1 1   16   34   16 o  260.337   5.5735  235.713   10.043  218.785   14.108  253.104   14.299  250.108   8.1498  269.170   7.6754 -19.06271 11.19514 
1 1 1   16   34   17 f   99.762   10.516   35.571   7.1519   37.229   11.394   34.494   9.1870   99.636   17.141   97.027   14.093 2.609024 22.19057 
1 1 1   16   36    0 o  252.602   7.8822  220.984   13.780  193.805   23.935  234.461   16.854  235.871   14.735  260.148   9.3607 -24.27722 17.45718 
1 1 1   16   36    1 o  281.424   6.7186  274.234   13.086  249.659   25.567  282.958   15.233  267.912   13.836  285.839   7.6999 -17.92728 15.83392 
1 1 1   16   36    2 o  438.671   6.5826  666.309   19.985  578.536   33.983  712.718   24.711  408.484   12.020  453.635   7.8704 -45.15088 14.36755 
1 1 1   16   36    3 o  407.390   5.8438  574.614   16.477  586.829   37.819  571.752   18.306  411.286   13.286  406.351   6.5090 4.935059 14.79474 
1 1 1   16   36    4 o  335.836   6.0331  390.519   14.023  327.073   29.250  409.454   15.979  306.988   13.767  343.859   6.7143 -36.87030 15.31668 
1 1 1   16   36    5 o  296.517   7.4519  304.548   15.293  266.341   28.243  320.398   18.191  276.517   14.811  304.085   8.6432 -27.56845 17.14869 
1 1 1   16   36    6 o  385.007   5.7500  513.295   15.322  460.341   32.073  528.954   17.441  364.144   12.726  390.802   6.4481 -26.65860 14.26626 
1 1 1   16   36    7 o  377.323   5.5888  493.060   14.595  469.610   31.165  499.647   16.518  367.715   12.246  379.797   6.2841 -12.08206 13.76395 
1 1 1   16   36    8 o  438.852   6.5179  667.344   19.797  651.247   24.881  695.122   32.684  433.352   8.2956  447.419   10.555 -14.06766 13.42460 
1 1 1   16   36    9 o  368.277   5.5906  469.929   14.250  464.562   20.394  475.048   19.919  365.925   8.0526  370.064   7.7769 -4.138458 11.19483 
1 1 1   16   36   10 o   61.339   18.762   13.294   8.7062   37.417   13.091  -5.8377   11.658  101.434   19.353   41.991   18.941 59.44210 27.07940 
1 1 1   16   36   11 o   49.957   20.766   2.4058   11.844   3.1307   16.315   1.5980   17.221   58.169   24.292   58.235   24.675 -0.6627274E-01 34.62592 
1 1 1   16   36   12 o  469.190   5.2619  763.413   17.087  766.155   24.776  760.925   23.596  469.489   7.6249  467.973   7.2852 1.515472 10.54576 
1 1 1   16   36   13 o   69.041   16.612   17.577   7.8417   17.452   12.720   17.654   9.9594   70.124   22.841   69.257   19.790 0.8676834 30.22146 
1 1 1   16   36   14 o  110.477   10.039   43.066   7.5920   31.776   11.410   52.036   10.170   92.540   18.461  120.979   12.318 -28.43887 22.19381 
1 1 1   16   36   15 o   93.744   12.505   31.593   7.9114   28.242   11.054   35.112   11.328   86.630   18.962   97.350   17.454 -10.72054 25.77232 
1 1 1   16   36   16 o   76.342   13.416   21.353   6.8301   23.670   10.225   19.486   9.1777   78.798   18.976   71.621   18.413 7.176514 26.44084 
1 1 1   16   36   17 o   44.194   16.367   5.8946   6.6447   13.800   10.793   1.0697   8.4321   61.523   21.060   40.504   17.218 21.01919 27.20321 
1 1 1   16   38    0 o  483.230   6.4980  808.579   21.733  767.805   37.075  829.924   26.824  470.589   11.383  489.494   7.9178 -18.90457 13.86597 
1 1 1   16   38    1 o  1052.77   7.9290  3839.03   57.774  3614.63  108.934  3926.85   68.147  1020.22   15.427  1064.57   9.2491 -44.34827 17.98747 
1 1 1   16   38    2 o  543.740   5.9024  1023.67   22.212  935.610   43.380  1054.97   25.859  519.383   12.068  551.942   6.7694 -32.55896 13.83674 
1 1 1   16   38    3 o  412.682   6.7058  589.792   19.153   0.0000   0.0000  589.792   19.153  ?   ?   412.682   6.7058 0.000000 6.705754 
1 1 1   16   38    4 o  208.516   8.2033  150.644   11.839  154.244   27.050  149.792   13.167  209.621   18.846  207.895   9.1507 1.726608 20.95046 
1 1 1   16   38    5 o  618.486   5.9113  1324.70   25.304  1324.39   52.709  1324.79   28.846  617.676   12.330  618.442   6.7391 -0.7653809 14.05111 
1 1 1   16   38    6 o  540.903   6.7603  1013.60   25.308  964.390   42.948  1039.78   31.325  527.016   11.775  547.693   8.2637 -20.67725 14.38503 
1 1 1   16   38    7 o  205.446   8.2632  146.363   11.750  130.976   23.830  151.305   13.505  192.782   18.071  208.826   9.3442 -16.04440 20.34367 
1 1 1   16   38    8 o  203.841   9.2513  144.253   13.052  126.927   23.292  152.183   15.758  189.550   17.969  208.954   10.934 -19.40376 21.03452 
1 1 1   16   38    9 o   84.587   14.758   25.718   8.3256   32.234   19.733   24.307   9.1830   94.086   28.129   81.822   16.779 12.26461 32.75351 
1 1 1   16   38   10 o   36.363   16.659  -6.4866   9.4661   10.176   16.674 -14.4113   11.499   65.647   25.538   35.693   16.985 29.95377 30.67070 
1 1 1   16   38   11 o  339.264   6.5278  399.495   15.328  421.280   19.072  359.756   25.758  348.149   7.9151  320.925   11.597 27.22433 14.04041 
1 1 1   16   38   12 o  112.915   10.364   44.887   8.0090   45.530   12.719   44.466   10.310  112.193   16.905  111.692   13.619 0.5013733 21.70799 
1 1 1   16   38   13 o   37.284   15.853   0.3116   7.1509   4.7324   11.144  -2.7832   9.3237   50.903   20.529   39.071   17.327 11.83195 26.86378 
1 1 1   16   38   14 o  234.169   6.4201  190.751   10.405  204.782   14.087  173.902   15.436  242.181   8.4040  222.762   10.012 19.41866 13.07156 
1 1 1   16   38   15 o  134.173   8.3573   63.205   7.7223   33.962   11.427   87.790   10.477   95.354   17.973  157.866   9.6351 -62.51167 20.39301 
1 1 1   16   38   16 o   79.285   12.927   22.966   6.8491   17.268   12.088   25.660   8.3122   67.926   22.273   83.227   14.981 -15.30167 26.84227 
1 1 1   16   40    0 o  429.995   5.9017  640.229   17.564  600.000   33.568  655.393   20.610  415.903   11.662  435.012   6.8454 -19.10941 13.52228 
1 1 1   16   40    1 o  232.237   7.9794  186.852   12.826  151.805   25.896  198.243   14.764  208.062   18.165  239.178   8.9185 -31.11560 20.23625 
1 1 1   16   40    2 o  267.589   8.1768  248.094   15.144   0.0000   0.0000  248.094   15.144  ?   ?   267.589   8.1768 0.000000 8.176756 
1 1 1   16   40    3 o  464.153   6.7187  746.203   21.584  745.854   39.589  746.351   25.747  463.554   12.339  464.112   8.0153 -0.5573120 14.71421 
1 1 1   16   40    4 o  423.004   5.8776  619.677   17.208  638.049   37.453  614.762   19.374  428.641   12.625  421.278   6.6445 7.362762 14.26632 
1 1 1   16   40    5 o  138.935   11.075   67.431   10.561   73.902   23.440   65.783   11.830  143.110   24.549  137.022   12.616 6.088257 27.60069 
1 1 1   16   40    6 o  286.080   8.1774  283.797   16.191  268.049   28.166  291.570   19.788  277.010   14.744  289.837   9.8642 -12.82654 17.73939 
1 1 1   16   40    7 o  263.300   6.5545  240.292   11.944  240.488   26.798  240.244   13.343  262.141   14.831  263.221   7.3242 -1.080017 16.54122 
1 1 1   16   40    8 o  180.667   7.8582  113.269   9.8261  123.219   23.096  111.070   10.858  186.484   18.123  178.844   8.7718 7.640060 20.13460 
1 1 1   16   40    9 f  475.977   6.2298  785.652   20.523  811.707   39.348  775.915   24.054  482.504   11.783  472.824   7.3503 9.680084 13.88722 
1 1 1   16   40   10 o   39.837   16.260   2.1401   7.0884 -10.2195   20.343   3.8480   7.5623   54.784   24.837   43.413   17.108 11.37115 30.15861 
1 1 1   16   40   11 o   82.661   12.298   24.429   6.8213   5.9756   18.640   27.283   7.3297   63.709   26.227   87.413   12.469 -23.70399 29.04010 
1 1 1   16   40   12 o  145.770   7.1254   73.888   7.1888   47.102   20.837   77.506   7.6590  110.740   27.348  149.268   7.4136 -38.52797 28.33549 
1 1 1   16   40   13 o   43.319   16.686   4.6042   7.0638   2.9211   11.005   5.7834   9.2118   48.449   20.068   48.924   18.996 -0.4752083 27.63295 
1 1 1   16   40   14 o  131.627   8.4346   60.790   7.6436   48.741   11.357   70.768   10.335  116.198   14.432  141.516   10.629 -25.31747 17.92382 
1 1 1   16   40   15 o  124.105   9.9532   54.519   8.4773   78.829   18.783   48.301   9.5000  145.504   19.114  116.170   11.988 29.33333 22.56207 
1 1 1   16   40   16 o  133.718   8.1673   62.971   7.5224   60.976   12.353   64.146   9.4834  129.426   14.014  134.292   10.281 -4.865753 17.38131 
1 1 1   16   42    0 o  175.688   11.968  107.634   14.465  108.439   23.696  107.155   18.263  175.183   19.896  174.881   15.241 0.3016052 25.06318 
1 1 1   16   42    1 o  508.922   6.7462  897.179   23.762   0.0000   0.0000  897.179   23.762  ?   ?   508.922   6.7462 0.000000 6.746240 
1 1 1   16   42    2 o  192.330   8.8926  128.242   11.837  110.293   23.248  134.524   13.754  176.745   19.319  196.672   10.139 -19.92619 21.81816 
1 1 1   16   42    3 o  552.538   5.8796  1057.42   22.485  972.683   42.947  1089.41   26.391  529.257   11.724  560.753   6.7999 -31.49573 13.55358 
1 1 1   16   42    4 o   70.558   22.245   17.254   12.136   0.0000   0.0000   17.254   12.136  ?   ?    70.558   22.245 0.000000 22.24517 
1 1 1   16   42    5 o  326.790   6.1804  370.017   13.979  320.488   29.482  384.381   15.877  303.354   14.042  333.022   6.8883 -29.66891 15.64047 
1 1 1   16   42    6 o   33.865   15.971 -10.8731   9.7429   28.873   22.186 -20.3698   10.845   91.488   30.183   31.168   15.228 60.32040 33.80670 
1 1 1   16   42    7 o  157.418   9.0837   86.355   9.8548   93.805   21.598   84.396   11.075  162.123   19.650  155.454   10.353 6.669174 22.21022 
1 1 1   16   42    8 f  162.869   8.4763   92.390   9.5218   73.610   21.466   96.991   10.624  142.352   22.538  166.786   9.2397 -24.43483 24.35851 
1 1 1   16   42    9 o  290.461   6.3461  292.694   12.758   0.0000   0.0000  292.694   12.758  ?   ?   290.461   6.3461 0.000000 6.346064 
1 1 1   16   42   10 o  200.241   7.1998  139.291   9.9782  106.927   21.702  147.967   11.236  172.709   18.441  206.306   7.8693 -33.59732 20.04938 
1 1 1   16   42   11 o   42.380   16.076   4.6087   6.4924   0.1989   18.754   5.2091   6.9203   58.926   25.377   44.228   16.638 14.69825 30.34537 
1 1 1   16   42   12 o  110.602   8.7620   42.937   6.6523   35.073   19.544   43.967   7.0747   95.544   27.848  111.845   9.2216 -16.30061 29.33521 
1 1 1   16   42   13 o  187.058   5.8097  121.607   7.5215  116.976   21.303  122.267   8.0393  179.714   17.342  187.510   6.1947 -7.795822 18.41563 
1 1 1   16   42   14 o   73.538   16.147   20.157   7.9932   17.868   16.793   20.827   9.0889   72.150   26.130   74.374   17.878 -2.223495 31.66083 
1 1 1   16   42   15 o   57.746   13.330   12.371   5.2198   0.0000   0.0000   12.371   5.2198  ?   ?    57.746   13.330 0.000000 13.33048 
1 1 1   16   42   16 o   20.000   9.6514  -6.1329   4.0172 -19.6683   18.069  -5.4291   4.1203   43.949   21.018   21.023   10.049 22.92673 23.29656 
1 1 1   16   44    0 o  433.996   8.8021  653.195   26.439   0.0000   0.0000  653.195   26.439  ?   ?   433.996   8.8021 0.000000 8.802052 
1 1 1   16   44    1 o   95.749   17.176   32.940   10.964  -4.2766   21.241   46.459   12.801   60.709   26.565  114.250   16.681 -53.54073 31.36772 
1 1 1   16   44    2 o  197.185   8.9281  134.870   12.185  118.634   23.942  140.546   14.155  183.195   19.167  200.962   10.210 -17.76601 21.71654 
1 1 1   16   44    3 o  257.117   7.2880  229.165   12.969  197.268   25.851  239.893   14.993  237.289   15.831  263.005   8.2364 -25.71584 17.84576 
1 1 1   16   44    4 o  199.247   10.971  138.383   15.070  155.171   25.025  128.829   18.878  209.935   17.379  191.724   14.330 18.21133 22.52511 
1 1 1   16   44    5 o  248.240   8.0549  213.809   13.839  201.024   26.695  218.507   16.184  239.222   16.219  250.842   9.3218 -11.62024 18.70691 
1 1 1   16   44    6 o  131.105   18.214   61.486   16.081   58.293   22.254   64.976   23.263  125.581   26.439  132.796   26.241 -7.214737 37.25085 
1 1 1   16   44    7 o  313.077   7.4236  340.182   16.086  288.829   26.645  369.630   20.178  287.542   13.389  326.134   8.9391 -38.59213 16.09859 
1 1 1   16   44    8 o   40.061   17.712  -2.8643   9.6700   0.0000   0.0000  -2.8643   9.6700  ?   ?    40.061   17.712 0.000000 17.71186 
1 1 1   16   44    9 f  103.314   11.714   37.764   8.2279   23.176   20.168   40.677   9.0119   82.723   28.765  107.141   12.381 -24.41818 31.31606 
1 1 1   16   44   10 o  103.243   10.587   37.613   7.4583   24.390   18.017   40.347   8.1933   82.528   27.199  106.839   11.249 -24.31055 29.43338 
1 1 1   16   44   11 o   67.651   16.176   16.879   7.4717   26.541   17.768   14.804   8.2352   84.677   26.940   63.511   17.943 21.16648 32.36861 
1 1 1   16   44   12 o   54.623   15.988   10.849   6.4297  -3.7507   18.846   12.772   6.8401   55.656   24.661   58.911   16.249 -3.254631 29.53263 
1 1 1   16   44   13 o  185.040   5.7380  119.038   7.3486  117.902   19.227  119.233   7.9524  180.950   15.502  185.118   6.2069 -4.168381 16.69844 
1 1 1   16   44   14 o  107.294   7.7070   40.437   5.6850   27.805   17.822   41.868   5.9984   84.287   26.998  109.124   7.9978 -24.83645 28.15774 
1 1 1   16   44   15 f   97.391   7.3863   33.380   4.9417   14.805   17.983   34.897   5.1396   68.378   26.544   99.563   7.5138 -31.18492 27.58674 
1 1 1   16   46    0 o  440.850   5.9424  673.393   18.131  635.610   34.833  687.435   21.235  427.528   11.772  445.327   6.8895 -17.79974 13.63977 
1 1 1   16   46    1 o  201.400   10.805  141.356   15.006  167.171   23.868  124.480   19.298  218.235   15.912  188.333   14.927 29.90251 21.81738 
1 1 1   16   46    2 o  150.713   10.907   79.363   11.301  103.756   22.774   71.395   13.016  170.853   19.615  142.547   13.349 28.30621 23.72577 
1 1 1   16   46    3 o  193.963   8.7013  130.588   11.681  124.781   22.969  132.614   13.566  187.870   17.880  195.103   10.081 -7.233551 20.52650 
1 1 1   16   46    4 o  452.989   6.6310  711.473   20.790  671.707   36.967  729.867   25.142  439.151   12.163  458.619   7.9209 -19.46829 14.51446 
1 1 1   16   46    5 o  463.507   5.8403  744.693   18.736  696.097   38.399  759.875   21.464  446.834   12.417  468.098   6.6251 -21.26355 14.07350 
1 1 1   16   46    6 o  212.295   7.9223  156.496   11.640  169.902   25.616  153.008   13.068  219.230   17.016  209.811   8.9989 9.418839 19.24864 
1 1 1   16   46    7 o   40.544   18.149  -4.3497   10.480   0.0000   0.0000  -4.3497   10.480  ?   ?    40.544   18.149 0.000000 18.14945 
1 1 1   16   46    8 o  112.483   11.978   44.714   9.1818   44.868   20.217   44.673   10.306  109.028   26.946  112.108   13.558 -3.079468 30.16477 
1 1 1   16   46    9 f  215.342   6.6359  161.052   9.8901  158.293   21.527  161.791   11.135  211.496   14.799  215.733   7.4575 -4.237473 16.57212 
1 1 1   16   46   10 o  146.784   7.9810   75.230   8.0775  119.122   20.475   67.140   8.7905  182.535   16.381  138.428   9.2281 44.10733 18.80155 
1 1 1   16   46   11 o   62.819   18.298   14.478   8.4407  -4.3146   17.735   19.980   9.5973   53.656   23.841   73.182   18.837 -19.52628 30.38488 
1 1 1   16   46   12 o   20.117   10.060 -15.8962   5.8416 -40.7707   18.492 -13.1388   6.1568   37.834   18.750   22.454   11.071 15.38030 21.77397 
1 1 1   16   46   13 o   49.167   14.897   8.7418   5.5074   13.615   18.001   8.2386   5.7848   68.426   26.559   48.225   15.375 20.20145 30.68790 
1 1 1   16   46   14 o   84.522   9.0368   25.374   5.2045   31.200   18.193   24.854   5.4315   88.019   27.154   83.514   9.5696 4.504677 28.79105 
1 1 1   16   48    0 o  156.661   10.756   85.756   11.592   97.659   23.442   81.904   13.336  165.167   20.980  152.786   12.727 12.38042 24.53863 
1 1 1   16   48    1 f  318.720   6.5047  352.192   14.349  321.854   27.890  363.112   16.733  303.787   13.265  323.527   7.4728 -19.73935 15.22501 
1 1 1   16   48    2 o  454.409   6.5903  715.989   20.727  633.171   35.108  760.295   25.679  426.364   11.897  468.050   7.9271 -41.68588 14.29641 
1 1 1   16   48    3 f  221.594   8.7959  170.565   13.490  151.902   23.023  180.322   16.647  207.598   16.151  227.655   10.565 -20.05763 19.29992 
1 1 1   16   48    4 o  168.327   9.9233   98.895   11.510   91.659   24.769  100.888   12.998  159.004   23.189  169.839   11.119 -10.83423 25.71734 
1 1 1   16   48    5 o  363.604   6.9426  458.779   17.471  461.951   32.253  457.462   20.785  363.653   12.815  362.871   8.2760 0.7823792 15.25489 
1 1 1   16   48    6 o  407.872   7.8353  577.954   22.119   0.0000   0.0000  577.954   22.119  ?   ?   407.872   7.8353 0.000000 7.835296 
1 1 1   16   48    7 o  247.542   6.7877  212.754   11.629  240.000   25.929  205.893   13.011  261.033   14.408  243.400   7.7237 17.63312 16.34727 
1 1 1   16   48    8 o   82.839   21.072   25.527   12.110   68.244   20.701   3.3065   14.931  135.966   22.806   55.853   23.275 80.11264 32.58565 
1 1 1   16   48    9 o  274.478   5.8968  261.559   11.202  237.171   23.737  268.547   12.706  259.346   13.268  278.006   6.6036 -18.65985 14.82091 
1 1 1   16   48   10 o  128.571   9.8544   58.133   8.7023   40.683   20.192   62.113   9.6439  102.439   27.779  132.766   10.583 -30.32719 29.72705 
1 1 1   16   48   11 o  228.354   6.7864  181.498   10.726  171.024   23.239  184.333   12.090  218.550   15.463  229.963   7.5963 -11.41362 17.22837 
1 1 1   16   48   12 o  103.349   9.3995   37.738   6.6499   19.434   19.444   40.163   7.0767   75.846   28.015  106.574   9.7002 -30.72775 29.64713 
1 1 1   16   48   14 o   61.127   11.713   13.719   4.7748   38.010   17.735   11.821   4.9579   96.297   26.001   56.375   12.976 39.92166 29.05907 
1 1 1   16   50    0 o  137.292   14.988   66.749   14.011   0.0000   0.0000   66.749   14.011  ?   ?   137.292   14.988 0.000000 14.98826 
1 1 1   16   50    1 o  223.313   7.9261  173.150   12.250  127.122   23.656  190.016   14.320  189.152   18.299  233.841   8.8481 -44.68925 20.32569 
1 1 1   16   50    2 o  112.286   22.581   46.344   16.941   31.639   20.800   75.317   29.197   93.398   29.072  141.442   30.705 -48.04452 42.28453 
1 1 1   16   50    3 o  342.502   6.2902  406.880   14.911  368.878   28.774  420.831   17.434  324.954   12.794  348.196   7.2344 -23.24200 14.69767 
1 1 1   16   50    4 o  210.964   12.399  156.003   18.024  154.683   24.164  157.658   27.061  208.948   16.852  210.377   18.783 -1.429016 25.23469 
1 1 1   16   50    5 o  261.357   7.0609  237.176   12.772  226.488   26.868  240.296   14.518  253.370   15.394  262.949   7.9772 -9.579285 17.33839 
1 1 1   16   50    6 o   35.101   16.410  -9.3982   9.9019 -33.1610   22.612  -3.7600   11.014   47.513   22.921   42.148   18.755 5.365627 29.61648 
1 1 1   16   50    7 o  241.842   7.0931  203.242   11.873  226.146   26.792  197.645   13.244  252.731   15.390  238.350   8.0283 14.38153 17.35832 
1 1 1   16   50    8 f  197.131   9.8488  135.697   13.437  134.439   22.105  136.434   16.923  193.959   16.628  196.752   12.492 -2.793167 20.79750 
1 1 1   16   50    9 o   78.726   15.789   22.748   8.3037   25.546   19.593   22.136   9.1678   83.977   28.377   77.269   17.544 6.708839 33.36238 
1 1 1   16   50   10 o  117.819   9.8906   48.940   7.9906   49.951   20.190   48.752   8.7011  113.473   26.232  117.378   10.833 -3.905045 28.38117 
1 1 1   16   50   11 o  109.649   11.470   42.811   8.5759   83.122   22.259   35.785   9.2934  148.548   22.342   99.469   13.877 49.07813 26.30085 
1 1 1   16   50   12 o  222.762   6.2813  172.838   9.6843   0.0000   0.0000  172.838   9.6843  ?   ?   222.762   6.2813 0.000000 6.281310 
1 1 1   16   50   13 o   32.475   15.045  -6.0806   8.0336 -16.7561   17.173  -3.0900   9.0895   44.288   20.982   37.691   16.885 6.596729 26.93196 
1 1 1   16   52    0 o  193.474   9.4046  130.249   12.593  123.463   23.061  133.133   15.033  186.163   18.128  195.070   11.181 -8.907654 21.29909 
1 1 1   16   52    1 o  514.480   6.8687  918.701   24.458  942.927   41.990  906.261   30.089  519.766   11.672  510.579   8.5147 9.187195 14.44793 
1 1 1   16   52    2 o  168.948   10.729   99.907   12.480  142.439   23.787   83.751   14.660  200.229   17.335  154.001   13.904 46.22861 22.22269 
1 1 1   16   52    3 o  126.121   12.521   56.162   10.785   82.195   21.854   47.780   12.401  150.357   21.622  115.477   15.941 34.87926 26.86296 
1 1 1   16   52    4 o  119.685   12.823   50.713   10.457   32.634   19.985   57.528   12.271   93.734   28.374  127.259   14.172 -33.52512 31.71617 
1 1 1   16   52    5 o  207.910   9.1439  150.568   13.158   0.0000   0.0000  150.568   13.158  ?   ?   207.910   9.1439 0.000000 9.143888 
1 1 1   16   52    6 o  443.044   6.5832  681.794   20.187  657.073   36.893  692.358   24.117  432.940   12.312  446.127   7.8107 -13.18674 14.58081 
1 1 1   16   52    7 o  142.297   12.122   71.541   11.825   0.0000   0.0000   71.541   11.825  ?   ?   142.297   12.122 0.000000 12.12229 
1 1 1   16   52    8 o  103.746   13.508   38.568   9.4690   73.317   20.582   29.239   10.665  140.615   21.858   88.934   17.945 51.68088 28.28074 
1 1 1   16   52    9 o   58.833   19.269   12.171   9.0484  -3.3678   19.625   16.366   10.197   57.022   25.221   66.741   20.281 -9.718456 32.36382 
1 1 1   16   52   10 o   94.382   12.160   31.937   7.7585   42.376   21.700   30.408   8.3076  103.054   29.130   91.693   13.494 11.36098 32.10406 
1 1 1   16   52   11 o  113.353   13.010   46.199   10.021   48.585   21.482   45.536   11.330  109.787   28.141  111.843   15.016 -2.055962 31.89655 
1 1 1   16   52   12 o   93.831   10.641   31.482   6.7882   47.922   18.504   28.926   7.2969  109.676   24.941   89.470   12.094 20.20598 27.71820 
1 1 1   16   54    0 o  166.470   8.6417   96.679   9.9224   82.060   13.405  114.393   14.756  152.558   12.815  180.507   11.878 -27.94884 17.47299 
1 1 1   16   54    1 o  178.430   18.800  114.195   22.868  114.195   22.868   0.0000   0.0000  178.430   18.800  ?   ?  0.000000 18.80036 
1 1 1   16   54    2 f  119.839   13.352   50.968   10.886   91.463   21.228   36.520   12.680  159.143   19.693   99.813   19.050 59.32989 27.39925 
1 1 1   16   54    3 o  323.751   7.9018  364.519   17.706  346.146   27.669  377.260   23.041  314.253   12.721  328.840   10.124 -14.58649 16.25795 
1 1 1   16   54    4 o   65.441   21.951   14.681   11.723   0.0000   0.0000   14.681   11.723  ?   ?    65.441   21.951 0.000000 21.95096 
1 1 1   16   54    5 o   77.287   19.333   22.183   10.315   17.395   21.998   23.533   11.679   77.553   29.549   79.463   20.941 -1.910080 36.21697 
1 1 1   16   54    6 f   52.619   20.057   7.2691   10.137   10.263   22.162   6.4769   11.399   71.098   28.853   53.489   21.027 17.60812 35.70242 
1 1 1   16   54    7 o  134.608   12.441   64.274   11.459   87.805   22.332   55.864   13.351  154.192   21.512  124.440   15.863 29.75186 26.72808 
1 1 1   16   54    8 o   46.912   19.321   3.0466   10.121 -11.6488   19.816   8.2333   11.773   52.191   23.981   55.963   21.546 -3.771954 32.23851 
1 1 1   16   54    9 o  161.003   11.276   91.687   12.486   90.293   23.328   92.246   14.782  155.045   22.387  160.787   13.406 -5.742310 26.09413 
1 1 1   16   54   10 o  109.814   11.033   42.920   8.2718   5.1756   21.545   49.446   8.9583   64.848   27.544  117.918   11.108 -53.06952 29.69942 
1 1 1   16   54   11 o  147.660   8.1400   76.578   8.2867   77.415   21.538   76.432   8.9778  141.835   22.706  147.325   8.8457 -5.490311 24.36831 
1 1 1   16   54   12 o   85.532   12.026   26.563   6.9223   35.093   18.449   25.166   7.4680   92.092   27.118   82.716   13.511 9.375778 30.29708 
1 1 1   16   56    0 o   75.766   17.102   21.133   8.7554   10.746   11.522   35.327   13.469   59.490   21.629   97.586   20.589 -38.09545 29.86214 
1 1 1   16   56    1 o  139.546   12.181   68.749   11.646  123.366   22.277   48.207   13.662  185.597   17.551  115.258   17.692 70.33895 24.92027 
1 1 1   16   56    2 o   48.204   19.784   3.1840   10.567 -14.3805   20.095   9.8980   12.424   51.653   23.883   59.399   22.304 -7.746227 32.67801 
1 1 1   16   56    3 o  147.811   12.327   77.176   12.495   0.0000   0.0000   77.176   12.495  ?   ?   147.811   12.327 0.000000 12.32665 
1 1 1   16   56    4 o  136.018   11.298   65.251   10.539   81.220   19.927   59.049   12.419  149.225   19.781  128.635   14.185 20.59077 24.34136 
1 1 1   16   56    5 o  211.925   7.9283  156.445   11.629  178.634   23.006  148.830   13.477  224.142   14.915  206.422   9.4335 17.71974 17.64790 
1 1 1   16   56    6 o  170.136   9.3953  101.475   11.020  131.756   22.701   92.137   12.605  191.177   17.345  161.614   11.341 29.56320 20.72393 
1 1 1   16   56    7 o   56.394   20.940   9.4384   10.891  -0.4927   20.876   13.152   12.766   60.651   26.443   63.535   22.813 -2.883598 34.92329 
1 1 1   16   56    8 o  126.426   11.614   56.789   10.049   48.712   22.183   58.874   11.272  110.465   28.740  128.377   12.859 -17.91151 31.48540 
1 1 1   16   56    9 o  135.995   12.403   66.028   11.546   50.390   21.410   72.442   13.711  112.147   27.738  141.860   14.153 -29.71316 31.13986 
1 1 1   16   56   10 o   70.914   17.817   19.064   8.7336   0.0000   0.0000   19.064   8.7336  ?   ?    70.914   17.817 0.000000 17.81688 
1 1 1   16   56   11 f   87.334   13.084   27.871   7.6653   39.000   19.354   25.800   8.3479   96.965   27.546   83.284   15.036 13.68044 31.38258 
1 1 1   16   58    0 o  126.064   10.627   55.993   9.1859   63.889   12.168   45.532   14.006  134.083   13.287  111.385   18.840 22.69861 23.05433 
1 1 1   16   58    1 o   75.194   20.819   21.055   11.204   62.439   20.145   2.5195   13.482  129.127   23.402   52.477   22.011 76.65016 32.12720 
1 1 1   16   58    2 o  180.384   10.539  114.263   13.100   0.0000   0.0000  114.263   13.100  ?   ?   180.384   10.539 0.000000 10.53890 
1 1 1   16   58    3 o  132.026   11.955   61.720   10.805   55.463   21.210   63.912   12.557  120.229   26.227  133.892   13.745 -13.66290 29.61039 
1 1 1   16   58    4 o   86.225   22.021   28.136   13.188   48.780   20.167   12.711   17.432  112.366   26.383   67.938   26.200 44.42770 37.18241 
1 1 1   16   58    5 o  255.883   7.1124  227.966   12.596  244.000   24.465  222.183   14.693  262.335   13.520  252.311   8.4141 10.02338 15.92467 
1 1 1   16   58    6 o  153.408   11.600   83.313   12.226   83.805   22.123   83.097   14.669  149.683   22.012  152.412   14.065 -2.728668 26.12173 
1 1 1   16   58    7 o  182.522   9.9274  117.232   12.494   88.683   23.303  128.749   14.801  153.315   22.642  190.859   11.254 -37.54362 25.28458 
1 1 1   16   58    8 o  113.331   12.635   46.081   9.7418   26.224   21.483   51.221   10.930   83.799   29.646  119.274   13.477 -35.47491 32.56588 
1 1 1   16   58    9 o  144.792   10.489   74.337   10.440   0.0000   0.0000   74.337   10.440  ?   ?   144.792   10.489 0.000000 10.48902 
1 1 1   16   58   10 o   51.688   18.041   9.1193   7.9377   4.6780   19.133   10.043   8.7238   60.506   25.834   54.047   18.911 6.459244 32.01623 
1 1 1   16   60    0 o   29.003   14.057 -14.2031   8.7486 -25.7179   11.475   1.7835   13.520   30.000   14.850   51.648   21.872 -21.64844 26.43682 
1 1 1   16   60    1 o   44.337   18.783   1.0036   9.9776   23.434   14.364 -19.9106   13.870   79.107   24.079   37.449   18.038 41.65738 30.08582 
1 1 1   16   60    2 o  148.126   11.721   77.626   11.918   80.195   21.822   76.534   14.228  146.644   22.195  146.324   14.229 0.3208160 26.36428 
1 1 1   16   60    3 o  164.400   10.087   95.046   11.422  100.195   22.583   93.277   13.240  165.018   20.195  162.362   11.864 2.656128 23.42177 
1 1 1   16   60    4 f   78.803   19.400   23.384   10.510  -3.2746   21.073   32.211   12.126   58.947   26.100   92.646   19.526 -33.69895 32.59582 
1 1 1   16   60    5 o   64.325   20.109   15.146   9.9399   15.068   18.752   15.176   11.722   71.024   27.230   65.383   21.950 5.641960 34.97542 
1 1 1   16   60    6 o  155.456   9.9963   85.208   10.698   66.634   21.545   91.286   12.325  131.327   24.607  160.567   11.160 -29.24060 27.01981 
1 1 1   16   60    7 o   62.458   19.905   14.301   9.6970   25.449   19.996   10.873   11.088   82.187   28.638   58.170   21.208 24.01754 35.63548 
1 1 1   16   60    8 o  111.393   13.000   44.806   9.8338   49.756   22.798   43.674   10.900  109.476   29.447  109.305   14.788 0.1705322 32.95124 
1 1 1   16   62    0 o   97.464   14.138   34.380   9.2584   44.499   12.177   20.514   14.254  110.368   16.443   74.569   24.172 35.79901 29.23478 
1 1 1   16   62    1 o   50.409   18.649   7.4911   8.6228  -1.8852   11.638   18.902   12.839   44.620   19.590   71.639   22.912 -27.01901 30.14534 
1 1 1   16   62    2 o  110.084   12.312   43.302   9.2197   52.354   12.744   33.362   13.355  120.075   15.712   93.702   21.100 26.37263 26.30727 
1 1 1   16   62    3 o  131.626   11.995   61.652   10.808   98.488   22.523   50.632   12.319  162.910   20.424  118.082   15.443 44.82813 25.60553 
1 1 1   16   62    4 o   81.372   18.245   24.910   10.022   31.039   19.250   22.632   11.738   89.049   28.009   77.032   21.301 12.01738 35.18836 
1 1 1   16   62    5 o  114.257   16.527   47.971   12.690   66.439   19.691   34.853   16.596  132.000   22.351   94.051   25.048 37.94855 33.57018 
1 1 1   16   62    6 o   98.525   14.792   35.539   9.7755   7.7707   20.219   44.010   11.167   64.954   27.077  109.723   15.106 -44.76856 31.00607 
1 1 1   16   62    7 o   78.238   18.674   23.419   9.9712   10.693   20.537   27.345   11.406   67.234   27.586   84.218   19.886 -16.98426 34.00673 
1 1 1   16   64    0 o   45.706   19.377   1.3807   10.629   0.5342   12.519   3.5663   20.117   48.298   20.766   61.993   26.480 -13.69474 33.65165 
1 1 1   16   64    1 o  101.681   13.054   37.271   8.9744   48.389   12.173   24.033   13.283  115.142   15.683   79.080   22.932 36.06227 27.78173 
1 1 1   16   64    2 o   47.542   18.519   5.5787   8.7765   13.595   12.131  -3.2244   12.713   63.060   22.282   45.289   20.151 17.77172 30.04240 
1 1 1   16   64    3 o   98.189   16.811   35.758   11.014   34.590   18.508   36.399   13.704   93.037   27.095   97.478   20.938 -4.441170 34.24191 
1 1 1   16   64    4 o  168.830   10.227  100.790   11.894  102.390   19.934   99.905   14.822  166.818   17.527  167.031   12.922 -0.2131195 21.77558 
1 1 1   16   64    5 o  199.346   7.9769  139.167   11.006   85.463   21.116  159.197   12.896  150.026   20.904  212.954   8.7496 -62.92844 22.66116 
1 1 1   16   66    0 o   42.265   17.954   1.0789   9.1560 -13.3307   12.268   19.197   13.756   37.241   17.669   71.539   23.775 -34.29787 29.62192 
1 1 1   16   66    1 o   98.471   14.157   35.414   9.3708   32.502   12.675   38.925   13.917   91.867   20.459  100.646   20.671 -8.778587 29.08364 
1 1 1   16   66    2 o  203.302   7.4440  144.531   10.474  147.706   14.154  140.687   15.573  204.673   9.9919  198.915   11.359 5.758591 15.12815 
1 1 1   17    1    0 o  729.775   5.9727  1844.10   30.167  1849.31   42.779  1838.95   42.548  730.586   8.4602  728.539   8.4382 2.046936 11.94900 
1 1 1   17    1    1 o  484.415   5.0066  812.384   16.786  794.268   23.441  831.450   24.048  478.884   7.0725  489.964   7.0914 -11.07965 10.01539 
1 1 1   17    1    2 o  369.399   4.8622  472.388   12.431  470.848   17.613  473.916   17.547  368.727   6.9017  369.928   6.8535 -1.201569 9.726435 
1 1 1   17    1    3 o   39.139   15.694   2.4724   6.4720   3.8467   9.1045   1.0686   9.2018   46.884   18.677   43.546   18.219 3.337566 26.09161 
1 1 1   17    1    4 o  662.046   5.6264  1517.38   25.781  1502.19   36.207  1532.99   36.717  658.596   7.9432  665.313   7.9737 -6.716370 11.25500 
1 1 1   17    1    5 o  827.623   7.4784  2371.79   42.837  2434.55   53.444  2259.02   71.637  838.370   9.2106  807.232   12.822 31.13763 15.78752 
1 1 1   17    1    6 o  415.991   5.0084  598.988   14.420  586.347   20.160  612.230   20.634  411.529   7.0781  420.513   7.0896 -8.984497 10.01804 
1 1 1   17    1    7 o  189.435   6.8674  124.236   9.0039  135.032   13.051  114.428   12.438  197.458   9.5495  181.492   9.9398 15.96501 13.78378 
1 1 1   17    1    8 o  575.005   6.2674  1144.57   24.942  1178.05   43.575  1128.25   30.419  583.156   10.796  570.842   7.6992 12.31354 13.26043 
1 1 1   17    1    9 o  511.517   6.1830  905.813   21.889  905.052   26.860  907.317   37.770  511.251   7.5909  511.742   10.664 -0.4910889 13.08988 
1 1 1   17    1   10 o  748.211   6.2558  1938.29   32.395  1952.32   46.184  1924.70   45.452  750.718   8.8888  745.396   8.8102 5.321350 12.51521 
1 1 1   17    1   11 o  289.626   6.4710  290.486   12.971  301.319   18.229  279.373   18.462  294.884   8.9315  283.922   9.3952 10.96201 12.96306 
1 1 1   17    1   12 o   97.882   16.428   34.244   10.735   44.607   15.450   24.572   14.927  111.250   20.832   83.018   24.377 28.23174 32.06546 
1 1 1   17    1   13 o  542.939   5.7106  1021.16   21.459  1016.60   30.334  1025.73   30.361  541.444   8.0947  543.874   8.0658 -2.429749 11.42720 
1 1 1   17    1   14 o  251.882   8.1243  220.245   14.163  225.868   17.430  209.317   24.299  254.886   9.8804  244.315   14.434 10.57088 17.49219 
1 1 1   17    1   15 o   62.862   20.586   13.595   10.328   2.0500   14.568   25.259   14.644   54.300   22.833   82.902   24.088 -28.60155 33.19053 
1 1 1   17    1   16 f  173.232   9.2999  104.946   11.109   89.934   15.472  120.923   15.962  159.185   14.192  185.231   12.524 -26.04623 18.92805 
1 1 1   17    1   17 o  289.824   7.5261  292.612   15.097  259.171   25.812  309.998   18.612  270.314   13.843  297.880   9.0277 -27.56564 16.52685 
1 1 1   17    1   18 o   64.452   22.178   14.579   11.974   29.112   14.404 -17.9366   21.544   86.631   23.449   51.085   23.985 35.54601 33.54356 
1 1 1   17    1   19 o   73.449   18.693   20.675   9.5264   27.091   13.676   14.627   13.278   82.853   23.022   64.767   23.265 18.08581 32.73043 
1 1 1   17    1   20 o  114.099   12.093   47.208   9.4045   58.172   13.274   36.160   13.326  124.955   15.696   95.581   20.740 29.37468 26.00936 
1 1 1   17    3    0 o  367.321   4.9155  467.104   12.497  446.050   17.281  490.182   18.093  358.876   6.9573  376.211   6.9486 -17.33530 9.832976 
1 1 1   17    3    1 o  884.591   6.7494  2709.91   41.322  2686.57   57.968  2734.02   58.922  880.453   9.5127  888.183   9.5851 -7.730896 13.50423 
1 1 1   17    3    2 o  339.134   4.9088  398.155   11.522  379.374   16.032  418.218   16.570  330.975   6.9985  347.511   6.8895 -16.53549 9.820598 
1 1 1   17    3    3 o  657.710   5.6200  1497.63   25.583  1475.81   35.857  1520.26   36.511  652.758   7.9368  662.513   7.9626 -9.754578 11.24260 
1 1 1   17    3    4 o  586.846   6.1432  1192.33   24.951  1157.56   42.791  1210.24   30.713  577.956   10.698  591.170   7.5065 -13.21381 13.06844 
1 1 1   17    3    5 f  248.209   5.4535  213.266   9.3684  208.945   13.254  217.579   13.244  245.641   7.7961  250.668   7.6336 -5.027130 10.91108 
1 1 1   17    3    6 o  394.736   5.0197  539.342   13.714  506.732   18.925  575.400   19.901  382.570   7.1474  407.671   7.0532 -25.10071 10.04157 
1 1 1   17    3    7 o  662.757   6.5811  1520.61   30.188  1491.22   51.195  1536.28   37.377  656.083   11.274  666.099   8.1076 -10.01526 13.88681 
1 1 1   17    3    8 o  236.060   6.1672  192.903   10.076  180.799   14.395  204.530   14.109  228.489   9.1026  243.036   8.3877 -14.54698 12.37782 
1 1 1   17    3    9 o  887.467   6.8819  2726.88   42.271  2732.52   59.929  2721.30   59.631  888.164   9.7492  886.341   9.7207 1.823303 13.76735 
1 1 1   17    3   10 o  949.386   8.3603  3122.01   54.934  3122.28   67.343  3121.46   94.970  949.207   10.251  948.431   14.468 0.7763672 17.73119 
1 1 1   17    3   11 o   73.007   19.937   19.160   10.358   33.304   14.568   4.6995   14.730   95.804   22.375   57.909   23.515 37.89494 32.45927 
1 1 1   17    3   12 o  258.405   6.9996  231.322   12.518  231.748   17.848  230.910   17.563  258.500   9.9758  258.040   9.8341 0.4595947 14.00809 
1 1 1   17    3   13 o  349.776   6.9886  424.038   16.918  434.704   20.934  403.951   28.727  354.011   8.5439  340.850   12.177 13.16129 14.87548 
1 1 1   17    3   14 o  335.955   6.0557  391.268   14.081  400.400   20.229  382.685   19.612  339.547   8.6078  331.961   8.5360 7.586212 12.12259 
1 1 1   17    3   15 f  124.414   14.771   55.076   12.471   52.927   22.656   56.010   14.937  118.358   28.081  124.728   17.809 -6.369820 33.25173 
1 1 1   17    3   16 o   97.509   18.176   34.879   11.815   30.927   20.430   36.865   14.483   91.161   28.875   99.360   21.671 -8.198700 36.10246 
1 1 1   17    3   17 o  135.496   11.418   64.944   10.608   70.292   15.223   59.896   14.789  139.586   16.049  128.369   17.069 11.21658 23.42947 
1 1 1   17    3   18 o   42.981   18.418   0.3726   9.7887   4.9036   14.161  -3.7740   13.546   55.170   22.801   46.446   20.724 8.723858 30.81177 
1 1 1   17    3   19 o  131.640   11.100   61.824   10.019   64.248   14.791   59.769   13.619  131.876   16.571  127.517   15.767 4.359718 22.87409 
1 1 1   17    3   20 o   48.815   19.495   5.8253   9.9432   19.291   12.700 -15.5024   15.983   69.974   22.824   42.331   20.109 27.64277 30.41910 
1 1 1   17    5    0 o  483.398   5.0451  808.973   16.879  754.781   23.026  871.925   24.817  466.832   7.1264  501.751   7.1463 -34.91977 10.09235 
1 1 1   17    5    1 o  115.585   8.8952   46.564   7.0613   42.320   10.019   50.754   9.9539  109.607   13.492  120.360   12.114 -10.75302 18.13192 
1 1 1   17    5    2 o  729.388   5.9531  1842.03   30.052  1777.05   41.326  1914.95   43.782  716.227   8.3366  743.481   8.5083 -27.25391 11.91181 
1 1 1   17    5    3 o  379.471   4.8725  498.474   12.797  497.194   18.321  499.694   17.882  378.920   6.9860  379.878   6.8013 -0.9579468 9.749952 
1 1 1   17    5    4 o  334.292   5.6089  386.866   12.977  384.260   15.986  391.902   22.222  333.131   6.9335  336.342   9.5462 -3.210510 11.79848 
1 1 1   17    5    5 o  600.572   5.4071  1248.56   22.475  1240.53   31.791  1256.59   31.778  598.544   7.6743  602.409   7.6219 -3.864502 10.81610 
1 1 1   17    5    6 o  417.395   9.6328  603.415   27.828  603.415   27.828   0.0000   0.0000  417.395   9.6328  ?   ?  0.000000 9.632810 
1 1 1   17    5    7 o  826.994   7.4821  2367.88   42.826  2340.49   72.999  2382.26   52.882  821.812   12.834  829.398   9.2123 -7.585876 15.79820 
1 1 1   17    5    8 o  348.179   5.3366  419.626   12.860  426.581   18.451  413.055   17.934  351.007   7.5949  345.399   7.5020 5.607758 10.67539 
1 1 1   17    5    9 o  409.974   5.3692  581.824   15.235  591.750   21.725  572.222   21.370  413.392   7.5933  406.514   7.5953 6.878387 10.73996 
1 1 1   17    5   10 o  368.929   5.6700  471.216   14.478  469.145   20.476  473.287   20.474  368.037   8.0384  369.659   8.0024 -1.622498 11.34253 
1 1 1   17    5   11 o  461.160   6.4409  736.474   20.558  768.936   25.758  679.512   34.121  471.130   7.8994  442.657   11.137 28.47360 13.65417 
1 1 1   17    5   12 f  412.554   6.6858  589.580   19.090  600.958   23.556  567.805   32.587  416.413   8.1732  404.453   11.641 11.95990 14.22389 
1 1 1   17    5   13 o  793.615   6.5905  2182.65   36.200  2233.63   52.181  2135.36   50.262  802.240   9.3978  784.429   9.2578 17.81171 13.19186 
1 1 1   17    5   14 o  391.494   5.8272  531.278   15.789  541.353   22.861  522.089   21.833  394.840   8.3656  387.788   8.1346 7.052765 11.66861 
1 1 1   17    5   15 o  295.634   6.5107  303.324   13.322  301.264   19.101  305.276   18.589  294.173   9.3817  296.184   9.0680 -2.010193 13.04774 
1 1 1   17    5   16 o   47.958   20.309   1.1249   11.657 -11.3171   20.716   6.8901   14.101   54.278   24.783   58.080   23.209 -3.802197 33.95366 
1 1 1   17    5   17 o  143.579   10.438   72.632   10.302   62.177   14.341   83.776   14.807  131.130   16.143  153.178   14.126 -22.04770 21.45077 
1 1 1   17    5   18 o  155.768   9.5168   85.446   10.211   84.237   14.615   86.600   14.272  153.159   13.940  155.523   13.389 -2.363983 19.32855 
1 1 1   17    5   19 o   64.791   19.837   15.881   9.7298   20.188   13.753   11.564   13.767   72.615   23.755   61.283   23.370 11.33145 33.32350 
1 1 1   17    5   20 o   39.017   17.161  -1.0762   8.9655   4.6222   13.040  -6.1847   12.347   51.846   21.690   41.435   18.999 10.41101 28.83419 
1 1 1   17    7    0 o  323.854   5.0871  363.093   11.402  359.725   16.082  366.497   16.169  322.283   7.2099  325.304   7.1816 -3.020599 10.17635 
1 1 1   17    7    1 o  136.870   7.8086   65.099   7.3664   57.970   10.501   72.005   10.336  128.743   11.921  143.750   10.460 -15.00696 15.85962 
1 1 1   17    7    2 o  437.140   4.9190  661.511   14.882  626.638   20.657  699.148   21.460  425.386   7.0162  449.329   6.9006 -23.94315 9.841065 
1 1 1   17    7    3 o  844.107   6.5594  2467.07   38.321  2421.70   53.549  2514.69   54.863  836.081   9.2540  851.977   9.3041 -15.89600 13.12256 
1 1 1   17    7    4 o  183.809   6.5970  116.977   8.3925  117.437   12.573  116.607   11.271  183.846   9.9175  183.481   8.8757 0.3646240 13.30922 
1 1 1   17    7    5 o  684.558   6.6101  1622.41   31.318  1622.93   54.269  1622.16   38.348  684.361   11.457  684.428   8.0954 -0.6658936E-01 14.02882 
1 1 1   17    7    6 o  792.196   6.3001  2172.55   34.543  2103.64   47.602  2249.19   50.203  779.397   8.8245  805.897   9.0007 -26.50043 12.60494 
1 1 1   17    7    7 o  477.026   5.1971  787.648   17.159  778.365   24.084  797.215   24.452  474.152   7.3390  479.859   7.3624 -5.706329 10.39548 
1 1 1   17    7    8 o  435.800   5.2404  657.399   15.806  665.877   22.615  649.303   22.101  438.545   7.4509  433.055   7.3738 5.490112 10.48275 
1 1 1   17    7    9 o  338.475   5.6321  396.598   13.194  392.598   18.650  400.606   18.668  336.704   8.0032  340.123   7.9302 -3.418701 11.26670 
1 1 1   17    7   10 o  867.683   6.8350  2607.05   41.047  2657.01   59.038  2560.30   57.108  875.666   9.7413  859.600   9.5989 16.06665 13.67599 
1 1 1   17    7   11 o  530.003   6.5396  972.810   23.989  984.173   29.415  950.244   41.452  532.993   7.9739  523.419   11.442 9.574402 13.94676 
1 1 1   17    7   12 o  851.513   7.8895  2512.77   46.496  2544.96   57.540  2452.20   78.927  856.636   9.7051  840.009   13.576 16.62708 16.68803 
1 1 1   17    7   13 o  428.473   5.7367  636.032   17.012  641.719   24.241  630.513   23.881  430.141   8.1425  426.375   8.0926 3.766296 11.48001 
1 1 1   17    7   14 o  416.413   5.7548  601.064   16.586  594.738   23.415  607.434   23.496  413.865   8.1745  418.269   8.1165 -4.403900 11.51952 
1 1 1   17    7   15 o  123.757   13.064   54.203   11.020   47.924   15.943   59.949   15.251  114.310   20.923  129.150   17.513 -14.83962 27.28493 
1 1 1   17    7   16 o   87.242   17.031   27.912   9.9145   57.134   14.103  -0.6448   13.941  125.897   16.589   50.435   21.800 75.46181 27.39359 
1 1 1   17    7   17 o  141.593   12.057   71.083   11.703   61.707   20.552   75.582   14.237  127.362   24.200  145.335   14.340 -17.97360 28.12947 
1 1 1   17    7   18 o   55.692   19.469   10.436   9.2451   7.8245   13.013   13.098   13.137   56.656   22.405   63.288   23.083 -6.632790 32.16785 
1 1 1   17    7   19 o   48.171   18.914   5.7823   9.2119   21.465   13.421  -8.1885   12.667   74.336   23.387   41.126   18.996 33.21062 30.13003 
1 1 1   17    7   20 o   48.366   20.070   4.1354   11.035  -1.0978   12.995   17.668   20.897   46.486   20.543   71.591   28.366 -25.10508 35.02380 
1 1 1   17    9    0 o  439.213   5.0114  667.811   15.234  618.154   20.844  724.749   22.320  422.490   7.1283  457.473   7.0493 -34.98291 10.02528 
1 1 1   17    9    1 o  653.893   5.6275  1480.32   25.468  1405.74   34.688  1567.53   37.512  637.073   7.8671  672.722   8.0567 -35.64905 11.26067 
1 1 1   17    9    2 o  258.461   7.4286  231.342   13.289   0.0000   0.0000  231.342   13.289  ?   ?   258.461   7.4286 0.000000 7.428616 
1 1 1   17    9    3 o  409.160   9.6727  580.000   27.392   0.0000   0.0000  580.000   27.392  ?   ?   409.160   9.6727 0.000000 9.672661 
1 1 1   17    9    4 o  928.004   9.8767  2983.39   63.437   0.0000   0.0000  2983.39   63.437  ?   ?   928.004   9.8767 0.000000 9.876720 
1 1 1   17    9    5 o  763.901   7.1245  2020.40   37.668  1903.42   63.042  2085.35   46.975  741.094   12.291  775.985   8.7465 -34.89172 15.08527 
1 1 1   17    9    6 o  772.500   7.2041  2066.06   38.517  1935.12   63.811  2141.11   48.311  747.291   12.338  786.313   8.8772 -39.02240 15.19938 
1 1 1   17    9    7 o  680.073   5.8577  1600.98   27.572  1546.36   38.131  1660.82   39.914  668.276   8.2442  692.563   8.3269 -24.28723 11.71773 
1 1 1   17    9    8 o  475.183   5.9896  781.652   19.698  811.220   33.898  766.577   24.205  483.938   10.121  470.536   7.4324 13.40164 12.55666 
1 1 1   17    9    9 o  1061.78   7.8459  3904.11   57.657  4001.23   83.529  3815.72   79.686  1074.52   11.232  1049.35   10.972 25.17004 15.70154 
1 1 1   17    9   10 o  447.511   6.3398  693.432   19.636  699.741   24.101  680.976   33.866  449.479   7.7472  443.216   11.040 6.263153 13.48714 
1 1 1   17    9   11 o  149.261   10.538   77.634   10.817   76.231   14.983   79.161   15.632  147.384   14.893  150.168   15.252 -2.783508 21.31683 
1 1 1   17    9   12 o  563.216   5.7692  1098.61   22.489  1128.96   32.373  1070.31   31.264  570.711   8.1956  555.694   8.1290 15.01666 11.54338 
1 1 1   17    9   13 o  414.716   6.7537  596.146   19.385  592.594   23.652  603.415   33.836  413.313   8.2681  416.557   11.736 -3.244537 14.35614 
1 1 1   17    9   14 o  376.841   6.7136  492.590   17.510  490.732   30.021  493.549   21.557  375.262   11.559  376.979   8.2620 -1.716400 14.20805 
1 1 1   17    9   15 o   34.727   16.376 -11.1358   10.237 -30.8284   14.776   7.0390   14.195   34.947   17.215   58.687   23.339 -23.74006 29.00108 
1 1 1   17    9   16 o  197.004   8.1233  135.148   11.076  145.397   16.025  125.772   15.327  203.410   11.429  189.051   11.772 14.35837 16.40723 
1 1 1   17    9   17 o   88.580   16.339   28.853   9.6482   33.038   14.012   25.081   13.304   93.209   22.063   81.289   22.750 11.91916 31.69168 
1 1 1   17    9   18 o   86.806   21.335   28.992   12.727   50.488   19.263   12.341   16.954  113.314   25.212   66.025   25.733 47.28905 36.02608 
1 1 1   17    9   19 o   57.725   19.392   11.994   9.1491   32.684   13.402  -6.0653   12.521   91.310   21.553   42.313   19.299 48.99704 28.93072 
1 1 1   17    9   20 o   32.273   15.274  -9.2655   9.0541 -23.9199   13.332   3.2780   12.335   33.747   16.570   49.369   20.898 -15.62233 26.67013 
1 1 1   17   11    0 o  442.056   5.0325  676.466   15.397  606.584   20.731  762.424   22.993  418.530   7.1569  469.226   7.0800 -50.69620 10.06717 
1 1 1   17   11    1 o  550.589   5.2517  1049.44   20.013  999.302   27.569  1105.29   29.097  537.180   7.4152  564.948   7.4416 -27.76770 10.50534 
1 1 1   17   11    2 o  230.827   6.3628  184.475   10.165  207.707   17.915  173.443   12.345  244.823   10.573  223.787   7.9703 21.03653 13.24036 
1 1 1   17   11    3 o  206.003   8.3001  146.973   11.834   0.0000   0.0000  146.973   11.834  ?   ?   206.003   8.3001 0.000000 8.300055 
1 1 1   17   11    4 o  1098.08   9.2106  4176.34   70.000  4008.78  117.070  4269.58   87.331  1074.92   15.736  1110.01   11.368 -35.09363 19.41240 
1 1 1   17   11    5 o  457.881   5.9028  725.763   18.706  650.732   31.722  765.765   23.162  433.411   10.575  470.296   7.1159 -36.88483 12.74628 
1 1 1   17   11    6 o  898.807   7.9695  2797.16   49.576  2822.93   87.359  2784.92   60.212  902.425   13.987  896.720   9.7017 5.704468 17.02216 
1 1 1   17   11    7 o  748.913   7.1257  1941.78   36.935  1944.88   64.863  1940.29   44.931  749.169   12.510  748.548   8.6725 0.6213989 15.22176 
1 1 1   17   11    8 o  658.299   8.2787  1500.65   37.719  1568.78   56.088  1444.39   50.966  672.830   12.044  645.651   11.405 27.17920 16.58749 
1 1 1   17   11    9 o  498.824   5.4747  861.383   18.901  873.991   26.857  849.011   26.605  502.373   7.7243  495.140   7.7635 7.232971 10.95155 
1 1 1   17   11   10 o  390.432   5.6468  527.768   15.259  550.636   21.590  504.947   21.568  398.714   7.8239  381.799   8.1621 16.91495 11.30636 
1 1 1   17   11   11 f  509.802   5.6375  899.930   19.891  938.739   28.753  864.309   27.547  520.523   7.9813  499.462   7.9688 21.06042 11.27841 
1 1 1   17   11   12 o  650.329   5.9937  1464.90   26.978  1497.76   38.635  1433.63   37.687  657.282   8.4929  643.059   8.4677 14.22247 11.99297 
1 1 1   17   11   13 o  445.981   6.5275  689.405   20.148  699.024   34.099  684.245   24.975  448.424   10.987  444.113   8.1250 4.310608 13.66484 
1 1 1   17   11   14 o  102.381   18.488   38.024   12.618   35.291   15.573   43.249   21.532   97.653   23.356  107.510   28.483 -9.857674 36.83417 
1 1 1   17   11   15 o  241.156   7.1846  202.023   11.992  206.317   17.213  197.972   16.716  243.231   10.225  238.277   10.136 4.953842 14.39730 
1 1 1   17   11   16 o   76.860   18.583   21.942   9.7768   33.796   14.089   10.931   13.578   94.858   21.902   61.963   23.307 32.89513 31.98339 
1 1 1   17   11   17 o   75.566   20.233   21.509   10.793   16.309   14.035   29.034   16.884   68.791   23.991   86.975   26.023 -18.18326 35.39487 
1 1 1   17   11   18 o  175.717   8.5946  108.144   10.452  111.128   15.105  105.402   14.479  176.570   12.440  172.019   12.241 4.550598 17.45265 
1 1 1   17   11   19 o   37.589   17.209  -5.6692   10.077   8.9122   18.072 -12.2490   12.140   62.800   25.835   37.433   17.707 25.36663 31.32081 
1 1 1   17   11   20 o   39.968   17.929  -2.8270   10.285   12.078   18.815  -9.1783   12.282   64.775   26.471   39.141   18.291 25.63372 32.17560 
1 1 1   17   13    0 o  133.321   9.0176   61.851   8.2719   57.754   12.071   65.479   11.358  128.301   13.811  136.900   12.112 -8.599060 18.36996 
1 1 1   17   13    1 o  342.116   7.0832  405.279   16.772   0.0000   0.0000  405.279   16.772  ?   ?   342.116   7.0832 0.000000 7.083186 
1 1 1   17   13    2 o  634.404   6.4098  1393.42   28.144  1387.81   48.505  1396.27   34.556  632.831   11.074  634.978   7.8630 -2.146790 13.58191 
1 1 1   17   13    3 o  149.255   8.6518   77.412   8.8991   73.024   16.553   79.195   10.554  144.064   16.924  150.853   10.168 -6.789322 19.74377 
1 1 1   17   13    4 o  921.885   8.0850  2942.92   51.586  2784.88   85.577  3033.12   64.654  896.244   13.796  935.751   9.9829 -39.50684 17.02910 
1 1 1   17   13    5 o  934.082   8.1812  3021.18   52.890  3134.15   95.822  2971.69   63.428  950.766   14.562  926.271   9.8938 24.49591 17.60497 
1 1 1   17   13    6 o  124.085   11.583   53.807   9.8324   66.537   19.449   49.437   11.396  136.806   21.229  118.583   14.166 18.22298 25.52091 
1 1 1   17   13    7 o  236.248   7.2629  193.235   11.876  186.244   22.236  196.024   14.047  231.373   13.951  237.926   8.5300 -6.553772 16.35229 
1 1 1   17   13    8 o  231.965   7.7074  186.316   12.374  225.317   23.202  170.814   14.628  254.601   13.212  222.070   9.5173 32.53134 16.28317 
1 1 1   17   13    9 o  301.914   11.414  315.951   23.851   0.0000   0.0000  315.951   23.851  ?   ?   301.914   11.414 0.000000 11.41401 
1 1 1   17   13   10 o  138.540   10.779   66.940   10.254   43.546   14.389   91.083   14.617  110.229   19.577  161.482   13.194 -51.25287 23.60817 
1 1 1   17   13   11 o  472.678   5.6668  773.665   18.539  817.756   26.979  734.219   25.518  485.806   8.0238  460.325   8.0094 25.48090 11.33716 
1 1 1   17   13   12 o  723.425   7.1577  1813.57   35.838  1780.00   60.322  1831.88   44.553  715.764   12.177  726.801   8.8570 -11.03741 15.05718 
1 1 1   17   13   13 f  452.397   5.6888  709.173   17.812  681.759   24.968  737.584   25.418  443.265   8.1385  461.082   7.9651 -17.81683 11.38758 
1 1 1   17   13   14 o  161.258   9.8457   90.821   10.936   84.557   15.529   96.985   15.404  154.692   14.680  166.006   13.524 -11.31401 19.96019 
1 1 1   17   13   15 o   72.940   21.181   19.473   11.325   30.555   13.757  -3.8283   19.948   90.531   22.139   58.018   25.556 32.51290 33.81177 
1 1 1   17   13   16 o  149.615   9.7958   78.540   10.088   78.037   14.307   79.037   14.226  148.046   14.134  149.051   13.952 -1.005646 19.86060 
1 1 1   17   13   17 o   43.567   18.275   1.6410   9.2957   2.1619   13.685   1.1947   12.666   52.073   22.026   49.429   21.060 2.643822 30.47423 
1 1 1   17   13   18 o   96.717   14.960   34.279   9.6910   36.476   14.042   32.282   13.391   97.326   21.426   91.425   21.521 5.900940 30.36807 
1 1 1   17   13   19 f   83.966   18.490   27.066   10.455   12.327   19.845   32.728   12.300   67.398   27.320   91.903   19.913 -24.50443 33.80688 
1 1 1   17   13   20 o  109.906   12.754   44.265   9.5215   37.335   13.986   50.251   12.999   96.103   21.558  114.963   16.836 -18.86047 27.35337 
1 1 1   17   15    0 o  955.051   8.3094  3158.87   54.925  3080.98   93.119  3200.44   68.017  942.500   14.275  961.125   10.225 -18.62512 17.55936 
1 1 1   17   15    1 o  540.462   6.1218  1011.24   22.899  1022.44   39.769  1005.69   28.009  543.225   10.577  538.920   7.5092 4.305603 12.97192 
1 1 1   17   15    2 o  112.234   10.147   43.994   7.7967   46.360   11.436   41.940   10.658  114.673   14.751  109.017   14.484 5.655914 20.67280 
1 1 1   17   15    3 o  282.788   6.2270  276.845   12.188  251.610   22.234  287.685   14.572  269.454   11.922  288.250   7.3041 -18.79691 13.98184 
1 1 1   17   15    4 o  1143.04   9.5460  4525.17   75.519  4490.73  130.376  4542.56   92.644  1137.72   16.557  1144.99   11.691 -7.270020 20.26838 
1 1 1   17   15    5 o  506.603   7.3216  888.550   25.671   0.0000   0.0000  888.550   25.671  ?   ?   506.603   7.3216 0.000000 7.321595 
1 1 1   17   15    6 f  659.919   5.7666  1507.47   26.338  1502.31   37.360  1512.58   37.137  658.692   8.1950  660.944   8.1184 -2.251587 11.53541 
1 1 1   17   15    7 o  517.236   7.4798  926.285   26.777   0.0000   0.0000  926.285   26.777  ?   ?   517.236   7.4798 0.000000 7.479845 
1 1 1   17   15    8 o  137.995   11.011   66.403   10.429   54.328   13.092   87.366   17.250  124.168   15.577  157.868   16.009 -33.69994 22.33718 
1 1 1   17   15    9 o  188.326   12.009  123.466   15.571   95.366   23.931  144.098   20.505  164.112   21.593  203.244   14.676 -39.13153 26.10804 
1 1 1   17   15   10 o  659.421   6.9519  1505.97   31.728  1544.39   57.673  1489.30   37.994  667.188   12.490  655.643   8.3729 11.54486 15.03651 
1 1 1   17   15   11 o  381.807   8.0845  505.161   21.364   0.0000   0.0000  505.161   21.364  ?   ?   381.807   8.0845 0.000000 8.084543 
1 1 1   17   15   12 o  456.558   5.6784  722.020   17.943  721.775   25.702  722.253   25.061  456.253   8.1393  456.426   7.9332 -0.1732788 11.36592 
1 1 1   17   15   13 o  281.973   6.5537  275.658   12.790  261.045   17.933  290.786   18.247  274.122   9.4521  289.356   9.1113 -15.23386 13.12852 
1 1 1   17   15   14 o  217.980   7.5511  164.997   11.392  174.081   15.691  154.870   16.567  223.591   10.139  210.416   11.419 13.17442 15.27052 
1 1 1   17   15   15 o  197.088   7.9486  135.108   10.842  128.708   15.076  141.964   15.604  191.516   11.426  201.210   11.250 -9.694107 16.03506 
1 1 1   17   15   16 o  194.266   9.4974  131.841   12.770  142.799   15.448  108.195   22.692  201.534   11.118  172.505   19.339 29.02821 22.30730 
1 1 1   17   15   17 o   40.486   17.677  -1.2408   9.3586  -3.6928   13.682   0.9154   12.830   46.931   20.892   49.394   21.124 -2.462608 29.71030 
1 1 1   17   15   18 o  111.383   12.781   44.676   9.6747   32.313   13.806   56.608   13.562   91.156   22.109  124.209   16.158 -33.05342 27.38458 
1 1 1   17   15   19 o   67.627   18.470   17.604   8.8888   24.887   12.827   10.877   12.329   79.155   22.404   58.632   22.174 20.52360 31.52183 
1 1 1   17   17    0 o  465.312   6.0191  749.538   19.384  609.756   30.851  840.718   24.917  419.524   10.625  492.759   7.3060 -73.23505 12.89468 
1 1 1   17   17    1 o  412.988   5.1128  590.386   14.614  552.860   20.228  631.361   21.137  399.593   7.3140  427.025   7.1518 -27.43268 10.22950 
1 1 1   17   17    2 o  660.979   8.1327  1512.87   37.205  1512.87   37.205   0.0000   0.0000  660.979   8.1327  ?   ?  0.000000 8.132746 
1 1 1   17   17    3 o  1114.67   16.310  4310.24  125.827  4310.24  125.827   0.0000   0.0000  1114.67   16.310  ?   ?  0.000000 16.30996 
1 1 1   17   17    4 o  200.340   7.8313  138.967   10.859  122.732   20.793  145.055   12.733  187.417   16.189  204.664   8.9890 -17.24640 18.51709 
1 1 1   17   17    5 o  417.915   5.1670  604.533   14.945  614.085   21.633  595.811   20.672  421.153   7.4215  414.845   7.1996 6.308197 10.33988 
1 1 1   17   17    6 o  1237.05   8.8308  5299.25   75.607  5363.48  108.443  5238.50  105.469  1244.09   12.594  1229.54   12.394 14.55298 17.66975 
1 1 1   17   17    7 o  719.847   6.9772  1794.03   34.761  1787.40   42.830  1806.83   59.502  718.429   8.6137  722.089   11.906 -3.660095 14.69518 
1 1 1   17   17    8 o  422.376   5.3317  617.575   15.586  625.806   22.406  609.856   21.696  425.109   7.6152  419.662   7.4698 5.447021 10.66720 
1 1 1   17   17    9 o  166.775   8.7723   96.623   10.090   99.410   14.220   93.796   14.319  168.868   12.250  163.956   12.718 4.912262 17.65842 
1 1 1   17   17   10 o  548.470   5.6823  1041.59   21.570  1016.04   30.454  1067.31   30.555  541.542   8.1253  555.049   7.9539 -13.50616 11.37030 
1 1 1   17   17   11 o  653.696   8.3741  1481.11   37.887   0.0000   0.0000  1481.11   37.887  ?   ?   653.696   8.3741 0.000000 8.374056 
1 1 1   17   17   12 o  414.265   6.7079  594.750   19.233  671.707   37.770  567.810   22.347  439.478   12.417  404.652   7.9792 34.82642 14.75999 
1 1 1   17   17   13 o  312.789   7.3162  339.426   15.838  353.366   29.690  333.881   18.726  318.190   13.482  310.059   8.7260 8.131134 16.05919 
1 1 1   17   17   14 o  318.338   6.0796  351.524   13.395  363.142   19.116  340.318   18.775  323.182   8.5463  312.839   8.6712 10.34296 12.17492 
1 1 1   17   17   15 o  214.073   8.5228  159.569   12.628  164.202   15.635  150.878   21.414  216.830   10.419  206.292   15.103 10.53824 18.34792 
1 1 1   17   17   16 o  168.144   9.0967   99.011   10.547   98.416   15.095   99.578   14.742  166.554   13.203  167.662   12.801 -1.107864 18.38994 
1 1 1   17   17   17 o  117.591   14.425   49.925   11.494   38.963   13.695   76.049   21.141  101.675   20.173  142.006   22.240 -40.33070 30.02592 
1 1 1   17   17   18 o   61.413   19.688   13.874   9.4754   4.7961   13.997   21.554   12.874   54.437   22.597   74.791   22.802 -20.35377 32.10268 
1 1 1   17   17   19 o  114.135   11.877   47.006   9.2445   36.841   13.750   55.391   12.488   96.749   21.127  122.565   15.037 -25.81636 25.93163 
1 1 1   17   19    0 o  828.738   7.5735  2378.01   43.440  2328.59   52.420  2486.34   77.612  819.975   9.2368  846.942   13.240 -26.96625 16.14386 
1 1 1   17   19    1 o  1067.42   7.8503  3945.12   57.996  3738.71   77.842  4202.65   86.947  1038.85   10.826  1101.36   11.406 -62.50623 15.72637 
1 1 1   17   19    2 o  134.003   9.1935   62.481   8.4750   54.352   12.425   69.553   11.590  124.339   14.724  141.174   11.974 -16.83513 18.97851 
1 1 1   17   19    3 o  537.924   6.2008  1001.69   23.086  975.610   40.443  1014.29   28.117  530.687   11.011  541.257   7.5056 -10.57037 13.32569 
1 1 1   17   19    4 o  448.433   10.907  696.585   33.852  696.585   33.852   0.0000   0.0000  448.433   10.907  ?   ?  0.000000 10.90696 
1 1 1   17   19    5 o   97.797   12.647   33.694   8.3598   48.277   12.419   21.609   11.305  116.945   15.744   77.543   20.683 39.40223 25.99303 
1 1 1   17   19    6 o  276.944   6.6843  265.525   12.812  276.650   16.279  247.415   20.770  282.655   8.3211  267.235   11.229 15.41986 13.97652 
1 1 1   17   19    7 o  445.129   5.3157  685.877   16.377  700.080   23.742  672.987   22.619  449.644   7.6292  440.866   7.4129 8.778717 10.63742 
1 1 1   17   19    8 o  441.287   5.4023  674.135   16.500  689.455   23.951  660.299   22.763  446.186   7.7559  436.659   7.5319 9.526764 10.81121 
1 1 1   17   19    9 o  318.284   5.9331  350.760   13.070  349.473   18.820  351.958   18.165  317.607   8.5616  318.748   8.2340 -1.140594 11.87850 
1 1 1   17   19   10 o  168.451   12.490   99.021   14.458  108.781   20.002   88.341   20.924  176.070   16.610  158.032   19.547 18.03859 25.65120 
1 1 1   17   19   11 o   58.156   20.495   10.367   10.257  -2.1305   15.078   21.133   13.995   52.087   22.592   77.550   23.798 -25.46354 32.81367 
1 1 1   17   19   12 o  449.394   6.5846  699.964   20.480  734.634   39.746  687.432   23.897  459.461   12.499  445.219   7.7551 14.24237 14.70920 
1 1 1   17   19   13 o  310.835   9.0440  335.755   19.457  308.976   28.152  360.244   26.921  297.384   13.678  321.441   12.101 -24.05771 18.26211 
1 1 1   17   19   14 o  168.573   10.421   99.441   12.099  110.301   15.355   81.659   19.650  177.135   12.607  150.567   19.300 26.56764 23.05298 
1 1 1   17   19   15 o  150.014   9.9693   78.909   10.292   79.072   14.719   78.754   14.396  149.109   14.444  148.889   14.140 0.2197418 20.21280 
1 1 1   17   19   16 o  309.687   6.0152  333.281   12.893  343.345   18.616  324.004   17.874  313.653   8.5753  304.721   8.4749 8.932037 12.05652 
1 1 1   17   19   17 o   80.822   19.432   24.753   10.736   28.615   18.174   22.683   13.306   85.949   27.236   77.162   23.105 8.786789 35.71624 
1 1 1   17   19   18 o   77.486   20.177   23.173   10.927   18.898   13.449   31.478   18.745   70.877   23.506   88.322   27.616 -17.44541 36.26504 
1 1 1   17   19   19 o   81.049   15.926   24.836   8.6150   33.724   12.634   17.111   11.778   92.712   20.255   66.746   21.990 25.96555 29.89758 
1 1 1   17   21    0 o  393.797   7.3637  536.901   20.070   0.0000   0.0000  536.901   20.070  ?   ?   393.797   7.3637 0.000000 7.363703 
1 1 1   17   21    2 o  831.061   6.5803  2390.95   37.849  2354.99   53.139  2427.98   53.923  824.637   9.3105  837.320   9.3048 -12.68286 13.16298 
1 1 1   17   21    3 o  1107.00   8.0892  4243.06   61.977  4147.46   85.859  4347.06   89.556  1094.18   11.338  1120.17   11.551 -25.99707 16.18568 
1 1 1   17   21    4 o  423.077   6.1129  619.613   17.900  627.317   32.164  616.157   21.544  425.554   10.921  421.865   7.3786 3.688843 13.17958 
1 1 1   17   21    5 o  290.343   6.4832  291.829   13.028  302.829   16.593  274.146   21.038  295.734   8.1065  281.318   10.805 14.41586 13.50790 
1 1 1   17   21    6 o  362.234   7.7997  454.339   19.554  454.339   19.554   0.0000   0.0000  362.234   7.7997  ?   ?  0.000000 7.799731 
1 1 1   17   21    7 o  655.832   5.8638  1489.03   26.616  1473.56   37.648  1504.48   37.634  652.286   8.3392  659.101   8.2500 -6.815674 11.73054 
1 1 1   17   21    8 o  364.242   5.5177  459.312   13.910  469.976   20.354  449.966   19.054  368.363   7.9835  360.449   7.6376 7.913574 11.04852 
1 1 1   17   21    9 o  179.950   9.6032  112.548   11.917  106.293   20.289  115.843   14.725  174.018   17.065  182.381   11.727 -8.363251 20.70655 
1 1 1   17   21   10 o  198.979   8.2872  137.206   11.413  135.494   16.299  138.853   15.985  197.219   11.998  199.698   11.616 -2.478683 16.69988 
1 1 1   17   21   11 o  621.918   5.8816  1339.77   25.317  1419.09   37.698  1274.61   34.169  639.727   8.5142  606.339   8.1421 33.38873 11.78069 
1 1 1   17   21   12 o  166.374   10.730   96.627   12.290   87.415   23.838   99.962   14.343  155.784   22.783  168.999   12.348 -13.21550 25.91396 
1 1 1   17   21   13 o  194.936   7.7693  131.944   10.482  154.549   15.982  114.877   13.886  210.336   11.017  181.239   11.124 29.09729 15.65594 
1 1 1   17   21   14 o  229.222   16.539  186.390   26.062  186.390   26.062   0.0000   0.0000  229.222   16.539  ?   ?  0.000000 16.53867 
1 1 1   17   21   15 o  188.870   7.7093  124.145   10.078  121.489   14.979  126.342   13.621  185.802   11.708  189.818   10.408 -4.016342 15.66532 
1 1 1   17   21   16 o  103.186   14.677   38.504   10.186   40.922   18.025   37.370   12.347  102.835   25.461  100.445   18.440 2.389565 31.43680 
1 1 1   17   21   17 o   88.263   15.781   28.750   9.2865   28.141   13.891   29.243   12.487   85.219   23.012   87.375   20.925 -2.156403 31.10324 
1 1 1   17   21   18 f   96.008   13.713   33.663   8.8534   14.254   13.099   49.986   12.013   64.118   23.100  116.698   15.237 -52.58015 27.67224 
1 1 1   17   21   19 o  110.526   14.961   45.359   11.151   43.327   13.028   50.927   21.565  106.223   18.386  108.564   28.381 -2.340965 33.81601 
1 1 1   17   23    0 o  605.310   11.286  1269.27   47.282   0.0000   0.0000  1269.27   47.282  ?   ?   605.310   11.286 0.000000 11.28611 
1 1 1   17   23    1 o  767.072   8.8653  2037.50   47.066   0.0000   0.0000  2037.50   47.066  ?   ?   767.072   8.8653 0.000000 8.865290 
1 1 1   17   23    2 f  498.558   5.3534  860.358   18.472  816.473   25.818  906.388   26.441  485.616   7.6815  511.664   7.4665 -26.04794 10.71236 
1 1 1   17   23    3 o  889.216   6.9031  2737.37   42.484  2704.35   59.638  2771.38   60.536  883.665   9.7513  894.547   9.7776 -10.88196 13.80901 
1 1 1   17   23    4 o  173.839   11.371  105.141   13.606   94.293   20.899  113.122   17.926  163.759   18.778  180.058   14.507 -16.29861 23.72939 
1 1 1   17   23    5 o  506.679   5.4047  888.649   18.953  875.138   26.853  902.061   26.754  502.742   7.7175  510.421   7.5733 -7.679565 10.81275 
1 1 1   17   23    6 o  625.593   5.7641  1354.83   24.958  1352.46   35.645  1357.11   34.956  624.930   8.2412  626.013   8.0679 -1.082886 11.53293 
1 1 1   17   23    7 o  300.718   6.0320  313.085   12.555  330.684   18.346  297.586   17.217  308.982   8.5789  293.114   8.4869 15.86771 12.06752 
1 1 1   17   23    8 o  677.281   6.8245  1588.50   31.990  1663.42   57.052  1554.14   38.635  692.578   11.902  669.803   8.3341 22.77472 14.52994 
1 1 1   17   23    9 f  611.536   5.8120  1294.95   24.599  1348.60   36.193  1248.89   33.536  623.870   8.3822  600.392   8.0705 23.47772 11.63589 
1 1 1   17   23   10 o  261.773   6.8612  237.391   12.431  257.093   18.097  219.792   17.105  272.279   9.6034  251.741   9.8171 20.53767 13.73320 
1 1 1   17   23   11 o  325.129   5.9642  366.226   13.421  349.868   19.797  380.137   18.256  317.556   9.0076  331.100   7.9667 -13.54419 12.02518 
1 1 1   17   23   12 o  176.072   10.378  108.172   12.590  104.401   15.821  114.683   20.791  172.495   13.356  180.134   16.873 -7.638321 21.51933 
1 1 1   17   23   13 o  259.071   6.4588  232.853   11.581  221.197   16.889  243.199   15.911  252.107   9.6791  264.493   8.6917 -12.38597 13.00890 
1 1 1   17   23   14 o   82.359   16.205   24.751   8.9083   14.827   13.550   32.306   11.822   67.288   23.568   93.737   18.876 -26.44863 30.19465 
1 1 1   17   23   15 o   72.782   19.744   19.695   10.198   36.527   21.467   14.789   11.589   97.542   29.379   65.242   21.826 32.30062 36.59920 
1 1 1   17   23   16 o   65.486   18.497   15.939   8.7525   5.6937   14.168   22.262   11.130   56.329   22.989   76.777   20.543 -20.44793 30.83048 
1 1 1   17   23   17 o   48.774   18.646   6.4471   8.7768   3.3139   13.082   9.0118   11.836   51.807   21.704   56.495   21.639 -4.687347 30.64804 
1 1 1   17   23   18 o  125.910   10.481   56.469   9.0509   69.583   14.224   47.546   11.733  137.844   15.159  113.618   15.310 24.22525 21.54544 
1 1 1   17   23   19 o   43.677   18.225   2.8054   9.1722  -0.0982   12.355   6.3707   13.690   46.219   20.241   54.320   22.432 -8.101242 30.21413 
1 1 1   17   25    0 f  388.569   6.2747  522.665   16.875  496.283   20.391  580.000   30.060  378.603   7.7817  409.206   10.614 -30.60233 13.16094 
1 1 1   17   25    1 o  573.885   5.6307  1140.01   22.365  1081.23   30.908  1204.61   32.401  558.819   7.9915  589.846   7.9368 -31.02631 11.26311 
1 1 1   17   25    2 o  512.049   5.4409  907.564   19.282  870.531   26.865  946.914   27.693  501.430   7.7410  522.969   7.6509 -21.53894 10.88394 
1 1 1   17   25    3 o  264.519   7.0942  242.242   12.988  235.143   16.220  254.927   21.682  260.580   8.9935  271.259   11.549 -10.67950 14.63750 
1 1 1   17   25    4 o  560.769   6.4528  1088.63   25.044  993.659   41.998  1141.04   31.198  535.536   11.331  574.056   7.8524 -38.52014 13.78582 
1 1 1   17   25    5 o  116.971   12.193   47.934   9.7264   19.740   14.694   69.920   12.976   76.317   24.522  141.380   13.422 -65.06299 27.95519 
1 1 1   17   25    6 o  460.309   5.4960  733.500   17.510  754.331   25.285  714.309   24.271  466.713   7.8278  454.168   7.7212 12.54529 10.99509 
1 1 1   17   25    7 o  295.487   6.1326  302.309   12.542  298.700   18.575  305.333   17.003  293.625   9.1403  296.898   8.2744 -3.273499 12.32928 
1 1 1   17   25    8 o  653.235   5.9423  1477.53   26.866  1491.14   38.594  1464.74   37.422  656.037   8.4998  650.222   8.3154 5.814636 11.89089 
1 1 1   17   25    9 o  250.758   7.0147  217.812   12.174  214.102   17.805  221.070   16.684  248.469   10.354  252.520   9.5460 -4.050949 14.08267 
1 1 1   17   25   10 o  503.898   7.6397  880.013   26.644   0.0000   0.0000  880.013   26.644  ?   ?   503.898   7.6397 0.000000 7.639655 
1 1 1   17   25   11 o  647.258   5.9554  1451.65   26.679  1459.82   38.791  1444.33   36.750  648.612   8.6412  645.244   8.2291 3.368896 11.93268 
1 1 1   17   25   12 o   59.942   20.617   11.642   10.348   4.7464   13.907   20.195   15.488   56.115   22.825   76.584   25.217 -20.46933 34.01254 
1 1 1   17   25   13 o  160.879   8.7822   90.289   9.7418  117.936   14.897   69.632   12.877  183.394   11.799  140.398   13.415 42.99590 17.86543 
1 1 1   17   25   14 o  248.192   6.3144  213.895   10.847  210.081   16.172  217.014   14.623  245.438   9.5204  249.657   8.4629 -4.219025 12.73808 
1 1 1   17   25   15 o  206.328   7.9175  148.326   11.306  149.610   20.245  147.744   13.630  205.171   14.347  205.600   9.5783 -0.4293365 17.25085 
1 1 1   17   25   16 o   45.514   18.108   4.3199   8.5488 -19.5233   14.200   17.874   10.706   38.130   18.338   69.228   20.725 -31.09737 27.67340 
1 1 1   17   25   17 o   49.582   19.328   6.2277   9.5659 -11.2878   19.173   12.033   11.038   50.611   23.376   59.668   21.235 -9.056709 31.58105 
1 1 1   17   25   18 o   65.788   17.820   16.568   8.3146   0.2718   13.494   26.543   10.557   48.965   21.305   82.959   18.819 -33.99315 28.42631 
1 1 1   17   27    0 o  883.062   6.9524  2699.66   42.492  2581.46   57.887  2837.75   62.571  863.347   9.6876  905.168   9.9878 -41.82117 13.91422 
1 1 1   17   27    1 o  462.657   5.5087  740.933   17.640  728.822   24.931  753.074   24.961  458.798   7.8512  466.373   7.7332 -7.574768 11.02014 
1 1 1   17   27    2 o  398.779   6.3949  550.515   17.650  565.657   22.183  524.390   29.138  404.186   7.9297  389.070   10.821 15.11618 13.41523 
1 1 1   17   27    3 o  645.922   5.8948  1444.27   26.353  1413.13   36.990  1476.37   37.554  638.815   8.3662  652.954   8.3098 -14.13885 11.79179 
1 1 1   17   27    4 o  250.910   6.7795  217.966   11.773  190.353   17.122  242.727   16.214  234.400   10.554  264.734   8.8492 -30.33485 13.77322 
1 1 1   17   27    5 f  242.181   7.9179  203.115   13.272  188.732   23.530  209.825   16.072  232.784   14.680  246.111   9.4355 -13.32700 17.45058 
1 1 1   17   27    6 o  396.628   5.6312  544.623   15.458  533.694   22.167  554.969   21.568  392.537   8.1593  400.301   7.7848 -7.763306 11.27723 
1 1 1   17   27    7 f  395.854   5.6760  542.541   15.551  547.532   22.952  538.306   21.144  397.557   8.3415  394.222   7.7493 3.334564 11.38567 
1 1 1   17   27    8 o  219.344   10.479  166.827   15.908   0.0000   0.0000  166.827   15.908  ?   ?   219.344   10.479 0.000000 10.47901 
1 1 1   17   27    9 o  381.588   5.5905  504.247   14.765  506.188   21.835  502.611   20.041  382.163   8.2553  380.855   7.6029 1.308197 11.22295 
1 1 1   17   27   10 o  239.287   6.7974  198.425   11.257  207.225   17.187  191.813   14.898  244.324   10.164  235.133   9.1544 9.191422 13.67886 
1 1 1   17   27   11 o  523.006   6.3463  948.190   22.972  1002.47   29.591  865.854   36.444  537.510   7.9543  499.039   10.551 38.47058 13.21372 
1 1 1   17   27   12 o  151.314   9.3270   79.919   9.7203   94.934   14.847   68.655   12.859  164.318   13.166  139.510   13.486 24.80818 18.84701 
1 1 1   17   27   13 o  188.727   8.4596  123.898   11.050  140.195   19.397  116.069   13.445  199.352   14.151  182.074   10.716 17.27737 17.75046 
1 1 1   17   27   14 o   75.719   18.459   21.252   9.5861  -7.4927   17.198   34.207   11.546   50.912   22.981   96.572   17.935 -45.66052 29.15069 
1 1 1   17   27   15 o  282.527   5.8712  277.341   11.481  281.549   17.198  273.957   15.420  283.967   8.7503  280.331   7.9474 3.636505 11.82074 
1 1 1   17   27   16 o   66.955   17.520   16.800   8.2128   20.780   12.652   13.901   10.796   74.182   22.603   62.665   21.066 11.51743 30.89739 
1 1 1   17   27   17 o   87.327   14.375   28.025   8.3859   20.254   12.920   33.682   11.023   72.773   22.954   94.758   17.451 -21.98531 28.83420 
1 1 1   17   27   18 o   43.615   18.485   1.7230   9.6698 -15.7512   18.247   8.5463   11.402   46.073   21.767   54.495   21.141 -8.421829 30.34441 
1 1 1   17   29    0 o  848.520   7.7941  2492.99   45.773   0.0000   0.0000  2492.99   45.773  ?   ?   848.520   7.7941 0.000000 7.794098 
1 1 1   17   29    1 o  467.195   7.6636  755.766   24.780  703.415   35.265  806.829   34.828  450.574   11.308  482.604   10.427 -32.03018 15.38204 
1 1 1   17   29    2 o  444.011   5.6514  682.453   17.367  687.863   24.848  677.285   24.283  445.694   8.0551  442.258   7.9333 3.435883 11.30585 
1 1 1   17   29    3 o  536.945   5.6565  998.058   21.021  976.295   29.733  1019.81   29.724  530.964   8.0910  542.675   7.9138 -11.71143 11.31777 
1 1 1   17   29    4 o  1020.84   7.6895  3608.78   54.329  3567.90   76.260  3650.91   77.419  1014.69   10.859  1026.42   10.898 -11.73083 15.38439 
1 1 1   17   29    5 o  647.292   6.8662  1450.83   30.760  1354.15   51.547  1504.30   38.334  624.966   11.917  659.011   8.4046 -34.04529 14.58257 
1 1 1   17   29    6 o  569.508   6.5829  1123.12   25.947  1055.12   43.554  1160.53   32.306  551.644   11.407  578.823   8.0642 -27.17871 13.97004 
1 1 1   17   29    7 o  312.847   6.2896  338.926   13.618  354.453   19.974  325.437   18.617  319.818   9.0235  306.460   8.7772 13.35846 12.58821 
1 1 1   17   29    8 o  335.441   6.1104  389.685   14.186  372.624   20.454  405.497   19.692  327.868   9.0139  342.067   8.3176 -14.19910 12.26509 
1 1 1   17   29    9 o  134.454   10.615   63.133   9.7978   84.438   15.273   48.233   12.772  155.130   14.389  116.551   16.278 38.57855 21.72540 
1 1 1   17   29   10 o  142.978   11.316   71.505   11.107   95.788   15.012   42.137   16.510  165.337   13.230  107.378   22.913 57.95921 26.45831 
1 1 1   17   29   11 o  378.578   5.5203  496.703   14.464  508.145   21.092  486.545   19.873  382.610   7.9651  374.431   7.6685 8.178650 11.05660 
1 1 1   17   29   12 o  246.108   6.3037  210.123   10.737  213.864   15.742  206.869   14.683  247.945   9.1731  243.921   8.6975 4.024231 12.64091 
1 1 1   17   29   13 o   43.926   17.996   2.5750   8.7234   19.588   13.502  -9.6163   11.429   73.951   23.479   38.448   17.859 35.50238 29.49965 
1 1 1   17   29   14 o  121.871   10.444   52.329   8.7245   77.688   13.044   31.802   11.736  148.079   12.855   92.658   18.939 55.42086 22.89017 
1 1 1   17   29   15 o   90.448   13.804   29.600   8.3674   33.991   12.778   26.303   11.071   95.128   20.040   83.640   19.487 11.48759 27.95284 
1 1 1   17   29   16 o  240.079   9.0324  202.023   15.008  202.023   15.008   0.0000   0.0000  240.079   9.0324  ?   ?  0.000000 9.032375 
1 1 1   17   29   17 o  232.488   6.8564  188.773   11.032  196.829   14.628  178.146   16.802  236.643   8.9312  224.324   10.822 12.31943 14.03122 
1 1 1   17   29   18 o   67.361   16.743   17.430   7.7717   29.810   11.791   7.9211   10.334   87.027   19.996   52.176   20.159 34.85096 28.39412 
1 1 1   17   31    0 o  336.593   11.590  392.634   27.000  392.634   27.000   0.0000   0.0000  336.593   11.590  ?   ?  0.000000 11.58977 
1 1 1   17   31    1 o  369.946   5.7709  473.786   14.776  443.073   28.664  484.901   17.244  357.556   11.583  374.237   6.6574 -16.68185 13.35975 
1 1 1   17   31    2 o   96.481   15.348   33.095   9.9055   28.941   21.560   34.207   11.152   92.246   29.711   97.849   17.089 -5.603271 34.27508 
1 1 1   17   31    3 o   92.042   17.522   30.402   10.755   40.758   15.636   21.102   14.816  106.278   21.982   78.255   24.565 28.02277 32.96471 
1 1 1   17   31    4 o  346.124   6.0117  414.782   14.401  391.951   20.340  437.734   20.394  336.374   8.7367  355.495   8.2888 -19.12097 12.04297 
1 1 1   17   31    5 o  1124.58   11.686  4385.36   90.955   0.0000   0.0000  4385.36   90.955  ?   ?   1124.58   11.686 0.000000 11.68583 
1 1 1   17   31    6 o  509.733   8.0191  900.116   28.291   0.0000   0.0000  900.116   28.291  ?   ?   509.733   8.0191 0.000000 8.019119 
1 1 1   17   31    7 o  331.886   6.1652  381.459   14.162  402.320   20.644  362.915   19.463  340.713   8.7544  323.601   8.6902 17.11203 12.33530 
1 1 1   17   31    8 o   99.309   15.081   35.082   10.040   29.745   15.603   38.854   13.115   90.538   24.364  103.936   18.930 -13.39796 30.85318 
1 1 1   17   31    9 o   40.769   17.782  -1.8328   9.4486 -15.7097   15.270   6.7762   12.027   43.063   20.211   55.673   21.681 -12.60999 29.64019 
1 1 1   17   31   10 o  287.784   6.0097  287.039   11.970  282.192   17.892  290.965   16.105  285.069   9.0686  289.573   8.0356 -4.504303 12.11651 
1 1 1   17   31   11 o   99.244   13.323   35.013   8.9205   32.878   13.057   36.882   12.216   94.636   20.526  100.863   18.167 -6.227097 27.41071 
1 1 1   17   31   12 o  225.826   6.6390  177.021   10.377  174.011   15.391  179.529   14.050  223.473   9.9513  227.138   8.9371 -3.665451 13.37530 
1 1 1   17   31   13 o  183.728   7.4213  117.377   9.4369  139.209   14.032   99.348   12.752  199.408   10.201  168.197   11.015 31.21071 15.01289 
1 1 1   17   31   14 o   57.249   19.035   11.309   8.8176   24.049   16.016   5.7681   10.562   80.590   25.571   51.167   20.201 29.42326 32.58743 
1 1 1   17   31   15 o   31.416   14.693  -7.4013   7.9527 -10.8663   12.103  -4.7686   10.550   38.695   18.107   39.830   17.987 -1.134312 25.52231 
1 1 1   17   31   16 o   36.597   16.011  -1.1469   7.7131 -14.9520   11.612   9.7531   10.318   35.026   16.777   55.650   20.432 -20.62344 26.43735 
1 1 1   17   31   17 o  102.690   11.134   37.847   7.7868   26.774   11.286   47.907   10.757   83.050   19.896  114.641   13.838 -31.59090 24.23523 
1 1 1   17   31   18 o  111.886   10.550   45.004   8.0732   57.481   12.265   35.465   10.724  124.639   14.489   96.539   16.651 28.09965 22.07228 
1 1 1   17   33    0 o  649.134   5.9724  1458.84   26.832  1362.44   50.965  1495.81   31.561  626.920   11.746  657.256   6.9380 -30.33575 13.64189 
1 1 1   17   33    1 o  307.812   6.1844  328.040   13.175  293.220   25.817  340.303   15.321  290.784   12.828  313.489   7.0612 -22.70483 14.64277 
1 1 1   17   33    2 o  603.794   6.7240  1262.36   28.099  1229.27   49.377  1278.20   34.172  595.444   11.981  607.489   8.1275 -12.04504 14.47791 
1 1 1   17   33    3 o  195.703   8.2819  132.665   11.218  104.049   24.096  140.584   12.675  171.667   20.698  201.439   9.0913 -29.77223 22.60645 
1 1 1   17   33    4 o  497.780   6.7036  858.058   23.095  769.268   38.450  908.177   28.887  470.987   11.795  512.028   8.1515 -41.04065 14.33781 
1 1 1   17   33    5 o   50.250   20.514   3.1714   11.285  -6.4317   16.580   11.460   15.404   51.624   22.989   66.291   24.846 -14.66671 33.84991 
1 1 1   17   33    6 o  531.694   6.6918  979.132   24.625  938.537   42.551  999.576   30.196  520.083   11.821  537.107   8.1228 -17.02362 14.34288 
1 1 1   17   33    7 o  118.206   13.797   49.215   11.075   38.182   16.209   58.876   15.168  102.405   23.383  128.839   17.459 -26.43420 29.18206 
1 1 1   17   33    8 o  468.132   5.6379  759.068   18.267  745.463   26.245  771.851   25.440  463.684   8.1780  471.862   7.7899 -8.177399 11.29434 
1 1 1   17   33    9 o  305.757   8.9891  324.506   19.023  324.506   19.023   0.0000   0.0000  305.757   8.9891  ?   ?  0.000000 8.989122 
1 1 1   17   33   10 o  111.303   11.824   43.641   8.9690   39.759   13.608   46.623   11.926  104.610   19.513  114.403   15.457 -9.793129 24.89384 
1 1 1   17   33   11 o  263.874   6.0751  241.509   11.095  232.052   16.219  249.827   15.211  258.295   9.0725  268.130   8.1967 -9.835175 12.22684 
1 1 1   17   33   12 o  149.199   9.7075   77.916   9.9696   84.000   16.284   74.269   12.609  153.633   15.527  145.062   12.687 8.570709 20.05096 
1 1 1   17   33   13 o  198.156   6.9739  136.516   9.5645  151.107   14.229  124.489   12.918  207.989   9.8843  188.520   9.9360 19.46831 14.01513 
1 1 1   17   33   14 o   74.494   18.447   20.737   9.4609   23.333   13.283   18.063   13.479   78.712   22.962   70.998   23.531 7.714264 32.87822 
1 1 1   17   33   15 o   67.349   16.664   16.957   7.7251   20.900   11.775   13.977   10.236   74.247   21.608   62.411   20.497 11.83585 29.78342 
1 1 1   17   33   16 o   96.734   11.735   33.637   7.6957   36.101   11.515   31.649   10.346   98.155   17.596   92.039   16.862 6.115746 24.37140 
1 1 1   17   33   17 o  176.406   7.1373  108.944   8.7141  116.494   13.091  102.937   11.677  180.927   10.499  170.280   9.9515 10.64690 14.46608 
1 1 1   17   35    0 o  149.820   10.526   78.180   10.845   65.122   21.591   82.587   12.542  134.643   24.052  153.873   11.869 -19.23009 26.82103 
1 1 1   17   35    1 f  387.003   5.9295  518.559   15.882  521.951   31.335  517.386   18.424  387.983   11.669  386.531   6.8869 1.452057 13.54973 
1 1 1   17   35    2 o  266.216   8.0959  245.496   14.917   0.0000   0.0000  245.496   14.917  ?   ?   266.216   8.0959 0.000000 8.095855 
1 1 1   17   35    3 o  315.546   7.1563  344.847   15.629   0.0000   0.0000  344.847   15.629  ?   ?   315.546   7.1563 0.000000 7.156295 
1 1 1   17   35    4 o  276.285   6.7055  264.362   12.822  255.463   28.107  266.701   14.409  270.755   15.058  277.477   7.5029 -6.721802 16.82410 
1 1 1   17   35    5 o  232.642   9.3772  187.613   15.099  231.219   27.390  168.577   18.097  257.437   15.444  220.088   11.925 37.34827 19.51178 
1 1 1   17   35    6 o  261.148   8.4375  236.382   15.250  201.415   27.580  251.781   18.303  239.929   16.713  269.444   9.8145 -29.51520 19.38182 
1 1 1   17   35    7 o  598.948   8.3614  1243.83   34.661   0.0000   0.0000  1243.83   34.661  ?   ?   598.948   8.3614 0.000000 8.361428 
1 1 1   17   35    8 o  103.504   19.867   38.806   13.714   24.541   21.349   48.829   17.895   86.285   29.618  115.740   23.149 -29.45461 37.59064 
1 1 1   17   35    9 o  357.013   5.7615  441.736   14.236  432.518   20.813  449.842   19.516  352.955   8.5199  360.045   7.8316 -7.090393 11.57253 
1 1 1   17   35   10 f   52.184   18.712   8.2056   8.5855   6.8205   13.166   9.2304   11.324   57.150   22.556   57.513   21.353 -0.3631477 31.06030 
1 1 1   17   35   11 o  211.482   7.7325  155.419   11.318  168.634   20.717  149.797   13.513  218.895   13.744  207.414   9.4130 11.48097 16.65877 
1 1 1   17   35   12 o   53.031   18.537   9.0214   8.3814   8.0201   12.511   9.8367   11.289   57.194   22.157   57.921   21.356 -0.7269135 30.77381 
1 1 1   17   35   13 o  214.701   7.8582  160.562   11.677  164.846   14.068  151.073   20.937  217.252   9.3562  206.080   14.777 11.17216 17.49021 
1 1 1   17   35   14 o   74.635   19.440   20.957   10.142   22.413   12.102   17.522   18.586   76.988   21.751   73.663   27.354 3.324684 34.94814 
1 1 1   17   35   15 o   87.266   24.264   29.776   15.186   29.776   15.186   0.0000   0.0000   87.266   24.264  ?   ?  0.000000 24.26441 
1 1 1   17   35   16 o   65.000   19.856   15.982   9.7548   5.5032   11.115   51.122   20.353   50.783   20.495  112.091   26.629 -61.30778 33.60257 
1 1 1   17   35   17 o   35.901   16.707  -7.5841   10.078 -20.7057   11.369   40.551   21.775   31.309   15.358   96.308   29.707 -64.99951 33.44171 
1 1 1   17   37    0 o  510.752   5.7984  903.248   20.497  883.415   40.318  910.161   23.803  504.700   11.542  512.655   6.7085 -7.954803 13.35011 
1 1 1   17   37    1 o  635.138   6.0776  1396.85   26.716  1338.05   51.740  1418.23   31.197  621.065   12.037  639.912   7.0440 -18.84717 13.94635 
1 1 1   17   37    2 o  476.012   6.6874  784.729   22.032   0.0000   0.0000  784.729   22.032  ?   ?   476.012   6.6874 0.000000 6.687353 
1 1 1   17   37    3 o  442.019   6.6800  676.687   20.436  649.268   37.837  687.980   24.282  432.510   12.640  445.620   7.8731 -13.11026 14.89134 
1 1 1   17   37    4 o  398.129   7.1240  549.089   19.630  480.439   33.113  586.290   24.376  371.978   12.862  411.301   8.5629 -39.32306 15.45154 
1 1 1   17   37    5 o  894.379   7.0834  2771.37   43.847  2670.73   86.629  2806.03   50.841  876.432   14.281  899.783   8.1639 -23.35046 16.45002 
1 1 1   17   37    6 o  385.346   5.8085  514.343   15.491  477.415   31.561  526.063   17.781  370.655   12.303  389.659   6.5930 -19.00470 13.95805 
1 1 1   17   37    7 o  288.557   13.388  289.902   26.738  289.902   26.738   0.0000   0.0000  288.557   13.388  ?   ?  0.000000 13.38816 
1 1 1   17   37    8 o  244.152   8.6600  206.945   14.634  201.735   18.115  216.732   24.828  240.839   10.868  248.737   14.484 -7.898087 18.10802 
1 1 1   17   37    9 o  221.266   7.2480  169.894   11.100  169.236   16.649  170.419   14.892  220.452   10.912  221.364   9.7199 -0.9119110 14.61329 
1 1 1   17   37   10 o   78.522   18.532   22.657   9.9091   21.571   17.880   23.139   11.904   79.568   27.108   79.257   21.262 0.3109436 34.45132 
1 1 1   17   37   11 o  177.173   7.8419  109.153   9.6161  117.790   14.503  102.378   12.846  183.194   11.497  170.863   10.920 12.33153 15.85604 
1 1 1   17   37   12 o  237.128   7.5786  195.656   12.438  203.102   15.376  181.561   21.155  241.285   9.2077  226.689   13.546 14.59557 16.37878 
1 1 1   17   37   13 o   72.782   19.311   19.803   9.8882   28.070   12.316   4.8073   16.587   86.268   20.857   59.117   24.575 27.15071 32.23227 
1 1 1   17   37   14 o  104.790   12.399   39.333   8.8180   30.814   12.032   49.220   12.961   90.296   19.798  115.966   16.624 -25.67073 25.85191 
1 1 1   17   37   15 o   51.733   18.156   8.9261   8.0444   7.9645   11.161   9.9659   11.605   54.168   20.943   57.346   21.552 -3.178501 30.05184 
1 1 1   17   37   16 f   54.316   16.682   10.923   6.8748  -1.3104   10.254   20.912   9.2658   41.758   18.360   73.767   18.249 -32.00870 25.88663 
1 1 1   17   39    0 o  113.885   14.598   45.799   11.242   38.941   22.073   48.200   13.063  103.840   29.389  116.544   16.670 -12.70377 33.78738 
1 1 1   17   39    1 o  525.846   8.5890  958.294   31.259   0.0000   0.0000  958.294   31.259  ?   ?   525.846   8.5890 0.000000 8.589007 
1 1 1   17   39    2 o  377.431   6.1143  493.353   15.972  438.244   31.928  511.747   18.446  355.246   12.986  384.360   6.9340 -29.11459 14.72095 
1 1 1   17   39    3 o  192.188   11.761  128.691   15.569   0.0000   0.0000  128.691   15.569  ?   ?   192.188   11.761 0.000000 11.76133 
1 1 1   17   39    4 o  622.875   6.0392  1343.82   26.035  1284.88   52.479  1363.06   29.985  608.165   12.468  627.231   6.9073 -19.06647 14.25316 
1 1 1   17   39    5 o   94.713   16.677   32.197   10.533   32.615   23.547   32.092   11.777   96.698   31.039   94.208   18.722 2.490082 36.24850 
1 1 1   17   39    6 o  289.129   7.1244  289.793   14.257  268.634   26.941  298.023   16.802  277.320   14.083  293.115   8.2822 -15.79544 16.33745 
1 1 1   17   39    7 o   63.212   22.663   12.082   12.594   0.4073   22.222   17.606   15.286   65.104   27.821   73.215   25.064 -8.111198 37.44563 
1 1 1   17   39    8 o  337.574   5.7763  395.018   13.496  380.439   30.043  398.704   15.106  330.123   13.149  339.076   6.4367 -8.952667 14.63969 
1 1 1   17   39    9 o   85.009   14.926   26.062   8.4617   23.717   20.159   26.564   9.3227   83.678   28.777   85.554   16.340 -1.876007 33.09261 
1 1 1   17   39   10 o  213.381   7.2316  158.169   10.680  153.646   15.845  161.935   14.458  209.510   10.965  215.580   9.6900 -6.069641 14.63312 
1 1 1   17   39   11 o   61.779   18.788   13.730   8.7483   9.8333   13.443   16.592   11.522   60.614   23.098   68.198   21.694 -7.584549 31.68850 
1 1 1   17   39   12 o   85.841   17.815   27.259   10.238   22.163   12.527   37.507   17.765   77.038   22.249   98.866   25.718 -21.82761 34.00647 
1 1 1   17   39   13 o   85.169   14.114   26.373   8.0287   37.504   12.346   18.218   10.568  100.538   18.422   69.904   20.507 30.63402 27.56696 
1 1 1   17   39   14 o  132.755   8.9680   62.023   8.1916   52.737   12.176   69.701   11.072  120.559   14.911  140.033   11.526 -19.47369 18.84623 
1 1 1   17   39   15 o   46.444   17.132   6.5292   7.2662   21.482   10.957  -5.2083   9.7078   74.595   20.561   37.264   16.995 37.33048 26.67611 
1 1 1   17   39   16 o  122.778   9.8393   53.679   8.2908   62.049   14.439   49.562   10.127  128.934   16.564  116.843   12.728 12.09108 20.88922 
1 1 1   17   41    1 o  483.997   5.9388  811.344   19.894  717.073   38.155  846.540   23.313  454.391   12.132  494.315   6.8143 -39.92477 13.91509 
1 1 1   17   41    2 o  609.306   7.0942  1286.41   29.917  1184.88   48.745  1347.77   37.893  584.052   12.059  623.453   8.7817 -39.40106 14.91738 
1 1 1   17   41    3 o  617.236   6.9056  1320.17   29.500  1323.90   52.999  1318.50   35.510  617.188   12.407  616.658   8.3201 0.5308228 14.93858 
1 1 1   17   41    4 o  452.857   6.6955  710.691   20.986  695.122   38.417  717.313   25.054  447.102   12.415  454.829   7.9589 -7.727661 14.74700 
1 1 1   17   41    5 o  166.115   9.4944   96.114   10.870   84.439   23.750   99.208   12.226  153.112   23.133  168.653   10.527 -15.54108 25.41553 
1 1 1   17   41    6 o   50.078   19.673   5.1985   9.9711  -7.7024   21.382   8.7838   11.272   58.384   26.045   57.002   21.276 1.381649 33.62992 
1 1 1   17   41    7 o   65.264   22.639   13.730   12.490   2.5459   21.612   19.338   15.304   65.623   27.714   75.321   25.079 -9.697891 37.37688 
1 1 1   17   41    8 o  272.097   6.1609  256.784   11.602  263.561   26.727  255.210   12.879  274.008   14.142  271.189   6.8618 2.818390 15.71839 
1 1 1   17   41    9 o  111.939   12.758   44.403   9.7077   0.0000   0.0000   44.403   9.7077  ?   ?   111.939   12.758 0.000000 12.75813 
1 1 1   17   41   10 o  111.893   10.430   44.086   7.9838   60.488   21.437   41.445   8.6027  126.917   25.292  108.220   11.670 18.69740 27.85479 
1 1 1   17   41   11 o  142.229   7.9706   70.661   7.8146   94.732   19.756   66.197   8.5085  162.007   17.920  137.471   8.9921 24.53587 20.04921 
1 1 1   17   41   12 o  180.794   7.3455  113.837   9.1914  128.732   21.484  110.499   10.169  189.164   16.577  177.975   8.2555 11.18860 18.51855 
1 1 1   17   41   13 o  108.981   10.922   42.193   8.1275   41.232   12.366   42.923   10.784  105.648   17.526  108.822   14.693 -3.174301 22.87077 
1 1 1   17   41   14 o  107.254   10.752   40.975   7.8736   31.807   11.938   48.034   10.475   91.442   19.460  115.366   13.367 -23.92477 23.60868 
1 1 1   17   41   15 o   64.709   22.382   15.244   12.203   15.244   12.203   0.0000   0.0000   64.709   22.382  ?   ?  0.000000 22.38165 
1 1 1   17   43    0 o  191.309   9.2534  126.987   12.252   80.244   25.522  140.986   13.967  148.776   25.716  201.533   10.013 -52.75786 27.59666 
1 1 1   17   43    1 o  299.286   6.7496  310.412   13.981  325.024   28.524  305.792   16.040  305.599   13.486  296.979   7.8039 8.619781 15.58093 
1 1 1   17   43    2 o   88.325   18.808   28.328   11.145   38.029   21.868   24.925   12.953  102.151   29.366   82.776   22.167 19.37526 36.79290 
1 1 1   17   43    3 o  238.597   7.5978  197.412   12.547  196.342   24.861  197.778   14.533  236.733   15.255  238.735   8.7956 -2.001877 17.60886 
1 1 1   17   43    4 o  149.728   12.093   78.529   12.425   23.990   24.839   96.729   14.349   88.132   31.801  166.204   12.567 -78.07162 34.19412 
1 1 1   17   43    5 f  135.009   11.773   63.943   10.891   79.122   23.458   59.772   12.296  147.631   23.765  130.146   13.864 17.48466 27.51358 
1 1 1   17   43    6 o  219.551   12.341  168.630   18.676  133.707   24.898  213.561   28.241  193.960   18.782  246.130   16.677 -52.17023 25.11756 
1 1 1   17   43    7 o  156.421   9.4883   85.428   10.224   78.780   22.416   87.174   11.488  147.093   22.753  157.848   10.577 -10.75594 25.09117 
1 1 1   17   43    8 o  215.773   7.7958  161.787   11.642   0.0000   0.0000  161.787   11.642  ?   ?   215.773   7.7958 0.000000 7.795750 
1 1 1   17   43    9 o   67.619   17.795   16.807   8.4413 -22.5122   19.496   25.878   9.3646   46.772   22.216   84.149   16.669 -37.37724 27.77389 
1 1 1   17   43   10 o  215.258   6.3823  160.963   9.5085  161.268   23.126  160.901   10.431  212.844   15.812  215.133   7.0055 -2.289017 17.29420 
1 1 1   17   43   11 o  120.389   8.9206   50.869   7.3800   54.293   19.503   50.297   7.9729  119.509   24.404  119.550   9.7200 -0.4042053E-01 26.26869 
1 1 1   17   43   12 o   69.238   17.051   17.880   8.1171   6.8000   18.741   20.439   9.0056   63.382   26.215   73.908   17.814 -10.52617 31.69536 
1 1 1   17   43   13 o   29.378   13.410  -3.6999   6.0604 -41.9805   18.422   0.9461   6.4176   37.181   18.475   36.075   15.162 1.106567 23.89996 
1 1 1   17   43   14 o  152.087   6.6968   80.720   7.0491  109.268   19.444   76.400   7.5637  172.677   16.469  147.639   7.4258 25.03754 18.06572 
1 1 1   17   43   15 o   44.195   17.356   4.8329   7.7585   13.483   17.474   2.7089   8.6588   66.072   26.015   42.899   17.788 23.17243 31.51458 
1 1 1   17   45    0 o  380.072   6.1841  500.642   16.267  462.976   31.423  514.432   19.014  364.666   12.450  385.177   7.1322 -20.51016 14.34833 
1 1 1   17   45    1 o  209.344   10.456  152.318   15.150  144.878   24.117  157.168   19.471  202.683   17.359  211.953   13.341 -9.269928 21.89371 
1 1 1   17   45    2 o  200.608   8.5846  139.693   11.919  158.488   24.519  133.878   13.639  212.112   16.840  196.018   10.088 16.09419 19.63048 
1 1 1   17   45    3 o  267.551   7.1629  248.286   13.264  199.463   25.890  265.661   15.445  238.255   15.790  276.670   8.0657 -38.41476 17.73063 
1 1 1   17   45    4 o  164.209   11.177   94.306   12.628   73.805   24.275  101.912   14.786  141.789   25.682  170.493   12.620 -28.70462 28.61542 
1 1 1   17   45    5 o  105.998   17.587   40.526   12.450 -16.6293   26.119   57.330   14.162   60.224   27.621  126.761   16.536 -66.53671 32.19249 
1 1 1   17   45    6 o  251.613   7.0948  219.750   12.355  179.756   26.617  230.735   13.949  225.287   17.200  257.740   7.8196 -32.45364 18.89435 
1 1 1   17   45    7 o   64.598   20.988   14.484   10.743   0.0000   0.0000   14.484   10.743  ?   ?    64.598   20.988 0.000000 20.98819 
1 1 1   17   45    8 o  237.509   8.3250  196.279   13.685  190.976   23.900  198.866   16.692  232.427   14.936  238.763   10.101 -6.335876 18.03124 
1 1 1   17   45    9 o  170.047   8.1492  100.671   9.5909  112.195   21.425   97.783   10.726  176.728   17.756  167.185   9.3062 9.542969 20.04719 
1 1 1   17   45   10 f  167.760   7.4257   97.963   8.6220   92.537   20.820   99.086   9.4724  159.400   19.263  168.624   8.1164 -9.224091 20.90283 
1 1 1   17   45   11 o  170.141   7.5446  100.887   8.8842  119.512   20.124   96.378   9.9014  182.268   16.118  165.892   8.6537 16.37605 18.29455 
1 1 1   17   45   12 o   51.014   16.186   9.2628   6.4173  -7.3902   18.819   11.454   6.8264   52.761   23.907   55.891   16.506 -3.130665 29.05142 
1 1 1   17   45   13 o   28.947   13.134  -3.0593   5.7036 -14.3610   17.998  -1.7976   6.0136   47.120   22.059   31.333   13.904 15.78747 26.07593 
1 1 1   17   45   14 o  162.183   7.7700   92.177   8.7218   62.732   20.834   98.434   9.6038  125.176   24.924  167.453   8.2866 -42.27668 26.26513 
1 1 1   17   47    0 f  166.699   10.237   97.008   11.753   98.634   24.649   96.530   13.371  165.544   22.062  166.063   11.709 -0.5194092 24.97676 
1 1 1   17   47    1 o  263.105   7.2066  240.164   13.123  229.317   26.296  243.761   15.144  255.609   14.929  264.963   8.2579 -9.354202 17.06048 
1 1 1   17   47    2 o   75.907   19.806   21.080   10.515   45.341   21.799   13.723   12.004  110.182   28.405   64.768   22.210 45.41387 36.05690 
1 1 1   17   47    3 o  315.624   7.4088  345.752   16.184  346.000   28.609  345.635   19.627  314.747   13.133  315.351   8.9925 -0.6036377 15.91671 
1 1 1   17   47    4 o   73.524   20.479   19.729   10.808   29.468   23.387   17.084   12.187   91.965   31.004   69.844   22.321 22.12179 38.20300 
1 1 1   17   47    5 o  242.077   11.679  204.551   19.568  220.488   26.763  186.244   28.684  250.045   15.542  228.896   18.258 21.14917 23.97695 
1 1 1   17   47    6 o   87.766   19.526   28.396   11.555   0.0000   0.0000   28.396   11.555  ?   ?    87.766   19.526 0.000000 19.52564 
1 1 1   17   47    7 o  198.242   8.0275  136.697   11.014  122.585   23.095  140.852   12.531  184.941   18.282  201.100   9.0032 -16.15891 20.37874 
1 1 1   17   47    8 f  251.560   8.2856  220.351   14.426  227.366   25.341  216.988   17.547  253.537   14.501  249.244   10.172 4.293015 17.71302 
1 1 1   17   47    9 o  107.141   12.763   40.934   9.2781   29.585   21.258   43.604   10.312   89.364   29.548  110.361   13.802 -20.99716 32.61276 
1 1 1   17   47   10 o  124.542   10.246   54.704   8.7533   44.166   18.617   57.695   9.9180  106.924   25.513  127.659   11.343 -20.73516 27.92063 
1 1 1   17   47   11 o   70.547   15.099   18.402   7.1497   58.976   20.002   12.458   7.6556  123.864   24.199   58.346   17.538 65.51840 29.88655 
1 1 1   17   47   12 o  141.329   7.7309   69.998   7.5334   95.463   20.634   66.081   8.0920  160.542   18.935  137.107   8.5704 23.43481 20.78407 
1 1 1   17   47   13 o   37.231   15.352   1.8813   6.4001   0.0000   0.0000   1.8813   6.4001  ?   ?    37.231   15.352 0.000000 15.35234 
1 1 1   17   47   14 o   76.006   16.543   21.998   8.4552   20.888   17.363   22.343   9.6806   73.900   26.598   75.905   18.578 -2.005013 32.44359 
1 1 1   17   49    0 o  195.689   8.8133  133.114   11.937  132.537   23.291  133.320   13.901  193.223   17.609  195.412   10.315 -2.188904 20.40801 
1 1 1   17   49    1 o  410.044   6.0850  583.108   17.269  584.878   34.368  582.510   19.974  409.351   12.131  409.683   7.0442 -0.3320313 14.02758 
1 1 1   17   49    2 o  324.880   9.7677  367.363   21.963  359.415   28.864  378.293   33.848  320.635   13.007  328.430   14.891 -7.795776 19.77158 
1 1 1   17   49    3 o  133.393   12.161   62.657   11.104   70.000   21.663   60.040   12.932  138.086   23.509  130.050   14.621 8.036285 27.68479 
1 1 1   17   49    4 o   34.225   16.319 -13.8069   10.728   9.6049   23.843 -19.7492   12.012   73.372   29.870   33.941   16.456 39.43075 34.10325 
1 1 1   17   49    5 o  307.033   6.6052  327.284   14.036  321.463   30.613  328.833   15.794  302.387   14.627  307.629   7.4180 -5.241821 16.40091 
1 1 1   17   49    6 o   59.019   21.618   10.360   11.541   0.0000   0.0000   10.360   11.541  ?   ?    59.019   21.618 0.000000 21.61825 
1 1 1   17   49    7 o  142.068   10.357   70.893   10.114   68.683   21.516   71.520   11.458  135.724   23.771  142.403   11.730 -6.678665 26.50772 
1 1 1   17   49    8 o  116.292   12.276   48.029   9.7312   23.639   20.323   55.285   11.084   82.294   28.860  124.662   13.040 -42.36895 31.66936 
1 1 1   17   49    9 o   94.859   14.364   32.555   9.1356   96.878   21.797   18.849   10.062  162.591   19.777   71.076   19.747 91.51521 27.94777 
1 1 1   17   49   10 o   88.630   13.369   28.412   7.9456   27.517   19.792   28.584   8.6754   85.397   28.523   88.531   14.672 -3.134254 32.07524 
1 1 1   17   49   11 o   96.357   11.261   33.183   7.3686   52.341   20.396   30.307   7.9023  115.042   26.202   91.597   12.816 23.44451 29.16869 
1 1 1   17   49   12 o  140.447   10.063   69.856   9.7166   0.0000   0.0000   69.856   9.7166  ?   ?   140.447   10.063 0.000000 10.06272 
1 1 1   17   49   13 o  103.290   9.3121   37.907   6.5855   29.244   18.938   39.099   7.0239   84.623   27.885  104.769   9.8003 -20.14607 29.55689 
1 1 1   17   51    0 o  280.695   7.6362  273.745   14.835  250.683   26.680  284.066   17.849  266.856   14.500  285.712   9.0261 -18.85645 17.07986 
1 1 1   17   51    1 o  210.137   9.6618  153.798   14.052  123.219   23.847  170.064   17.392  185.548   18.830  220.396   11.441 -34.84822 22.03345 
1 1 1   17   51    2 o  136.688   11.699   65.751   10.961   79.073   22.019   61.363   12.638  147.080   22.333  131.508   14.105 15.57176 26.41395 
1 1 1   17   51    3 o  158.559   10.561   88.108   11.523   72.829   22.416   93.596   13.434  140.373   23.931  163.157   11.981 -22.78412 26.76209 
1 1 1   17   51    4 o  161.411   10.299   91.282   11.445   63.854   22.956  100.356   13.203  130.215   26.376  169.056   11.350 -38.84120 28.71458 
1 1 1   17   51    5 o   30.506   14.882 -18.4864   10.250 -18.0146   22.533 -18.6095   11.510   53.628   24.965   33.310   16.140 20.31752 29.72817 
1 1 1   17   51    6 o  134.115   14.707   64.225   13.427   41.566   23.562   75.122   16.340  103.774   30.672  144.582   16.632 -40.80759 34.89075 
1 1 1   17   51    7 f  158.827   9.9177   88.530   10.848   85.512   23.489   89.348   12.230  151.567   23.123  159.268   11.165 -7.701248 25.67787 
1 1 1   17   51    8 o  141.489   10.399   70.522   10.112   39.941   21.626   79.080   11.440  100.964   29.255  149.687   11.122 -48.72224 31.29756 
1 1 1   17   51    9 o   52.758   22.185   2.7932   13.753   6.9463   19.868  -1.0278   19.057   64.832   26.918   57.597   25.183 7.234760 36.86164 
1 1 1   17   51   10 o   66.981   17.202   16.823   8.0162   36.283   21.731   13.758   8.6244   95.263   29.726   61.126   18.669 34.13633 35.10202 
1 1 1   17   51   11 o   41.278   16.549   3.3625   7.1955  -3.6722   20.740   4.3252   7.6721   57.325   25.606   43.651   17.222 13.67363 30.85839 
1 1 1   17   51   12 o  135.373   9.5258   64.906   8.8682   32.361   19.101   73.849   10.013   88.806   27.894  144.242   10.093 -55.43607 29.66399 
1 1 1   17   53    0 o  191.924   10.244  128.898   13.559  144.098   23.916  121.699   16.459  200.948   17.367  185.871   12.874 15.07718 21.61791 
1 1 1   17   53    1 o   55.939   20.698   8.9977   10.622   12.132   21.057   7.9279   12.302   72.050   28.497   56.852   21.987 15.19808 35.99323 
1 1 1   17   53    2 o  263.584   7.2037  241.471   13.142  200.390   25.180  256.850   15.407  237.832   15.379  271.676   8.1936 -33.84370 17.42575 
1 1 1   17   53    3 o  325.148   9.0321  368.462   20.326  371.024   28.363  365.756   29.143  325.189   12.602  322.713   13.048 2.475830 18.13993 
1 1 1   17   53    4 o   47.563   20.238   0.7342   11.667   0.0000   0.0000   0.7342   11.667  ?   ?    47.563   20.238 0.000000 20.23756 
1 1 1   17   53    5 o  183.465   8.9194  117.405   11.326  127.512   22.916  114.139   13.028  188.244   17.801  180.330   10.484 7.914474 20.65829 
1 1 1   17   53    6 o   59.017   20.425   11.616   10.163   13.434   22.227   11.136   11.428   73.574   29.222   59.615   21.561 13.95921 36.31544 
1 1 1   17   53    7 o  123.864   12.409   54.582   10.495   68.439   23.133   50.991   11.776  133.486   25.974  119.053   14.598 14.43215 29.79471 
1 1 1   17   53    8 o  166.462   10.065   97.532   11.542   99.171   22.393   96.939   13.468  163.852   20.172  165.422   11.842 -1.570663 23.39117 
1 1 1   17   53    9 o   57.737   21.238   10.406   11.156   40.863   20.617  -2.2032   13.265  100.966   28.343   47.229   20.820 53.73716 35.16764 
1 1 1   17   53   10 f  119.628   10.048   50.715   8.2423   68.098   21.674   47.776   8.9118  132.025   24.625  115.734   11.269 16.29030 27.08112 
1 1 1   17   53   11 o  125.577   9.3619   55.813   8.0782   23.502   23.811   60.015   8.5876   80.652   30.740  130.170   9.5997 -49.51771 32.20377 
1 1 1   17   53   12 o   29.835   14.128  -8.3734   7.7667  -3.7902   18.811  -9.3153   8.5276   53.552   24.116   31.101   14.749 22.45064 28.26870 
1 1 1   17   55    0 o  141.780   9.7568   70.504   9.5158   58.151   12.879   85.354   14.121  127.509   14.873  155.239   13.270 -27.72980 19.93295 
1 1 1   17   55    1 o  285.980   7.2913  284.444   14.432  299.659   26.733  278.186   17.144  291.858   13.234  282.501   8.7685 9.356812 15.87556 
1 1 1   17   55    2 o   33.008   15.766 -13.1530   10.101   15.190   20.083 -22.7510   11.687   73.479   28.177   31.736   15.568 41.74296 32.19224 
1 1 1   17   55    3 o   82.068   21.325   25.269   12.223   0.0000   0.0000   25.269   12.223  ?   ?    82.068   21.325 0.000000 21.32519 
1 1 1   17   55    4 o  376.281   6.7381  492.359   17.548  442.049   29.204  520.787   21.953  354.724   11.895  386.539   8.2058 -31.81558 14.45112 
1 1 1   17   55    5 o  130.303   12.138   60.240   10.821   38.483   22.167   67.046   12.398   99.328   29.841  137.224   13.218 -37.89570 32.63724 
1 1 1   17   55    6 o   87.680   17.512   28.504   10.255   15.444   22.367   31.981   11.539   74.963   29.459   92.651   18.641 -17.68832 34.86142 
1 1 1   17   55    7 o   88.976   20.587   30.032   12.426   13.971   21.037   38.639   15.400   72.074   28.491  100.412   22.694 -28.33791 36.42469 
1 1 1   17   55    8 o   61.733   21.084   13.337   10.816   0.0000   0.0000   13.337   10.816  ?   ?    61.733   21.084 0.000000 21.08362 
1 1 1   17   55    9 o  123.610   11.048   54.376   9.3518   69.902   20.896   50.487   10.458  134.623   23.268  118.455   12.967 16.16853 26.63754 
1 1 1   17   55   10 f  116.980   11.946   49.134   9.5366   0.0000   0.0000   49.134   9.5366  ?   ?   116.980   11.946 0.000000 11.94650 
1 1 1   17   55   11 o  118.289   10.080   49.884   8.1741   55.561   22.131   48.987   8.7960  114.789   28.086  116.889   11.002 -2.100471 30.16379 
1 1 1   17   57    0 o  174.198   8.2200  105.781   9.9105  105.153   13.243  106.580   14.941  172.814   11.131  173.597   12.520 -0.7833252 16.75249 
1 1 1   17   57    1 o   65.024   20.832   15.137   10.611   19.907   21.088   13.519   12.278   78.649   29.151   63.826   22.429 14.82288 36.78092 
1 1 1   17   57    2 o   87.104   20.477   28.518   12.137   0.0000   0.0000   28.518   12.137  ?   ?    87.104   20.477 0.000000 20.47705 
1 1 1   17   57    3 o  123.410   12.739   54.241   10.724   63.024   22.335   51.610   12.225  128.025   26.092  119.666   15.097 8.359062 30.14497 
1 1 1   17   57    4 o   54.609   22.107   5.6454   12.976   36.883   18.980 -21.7624   17.779   97.274   27.155   43.710   20.888 53.56419 34.25953 
1 1 1   17   57    5 o  120.202   12.925   51.648   10.584   31.141   20.011   59.613   12.471   89.843   28.591  128.820   14.225 -38.97705 31.93423 
1 1 1   17   57    6 o   88.351   19.529   29.475   11.624   37.073   21.594   26.375   13.792   96.562   29.550   82.846   23.156 13.71632 37.54169 
1 1 1   17   57    7 o   92.912   16.469   31.944   10.203   65.171   22.242   23.090   11.482  128.934   25.825   77.707   20.896 51.22660 33.21946 
1 1 1   17   57    8 o  124.631   12.060   55.575   10.272   62.927   22.262   53.586   11.579  125.682   26.431  121.673   14.005 4.008507 29.91220 
1 1 1   17   57    9 o  157.961   9.6624   88.233   10.513   0.0000   0.0000   88.233   10.513  ?   ?   157.961   9.6624 0.000000 9.662351 
1 1 1   17   57   10 o   44.247   19.160   0.2449   10.808 -11.5171   19.457   5.4945   12.998   50.125   23.289   53.128   21.890 -3.002651 31.96187 
1 1 1   17   59    0 o   69.637   18.219   18.111   8.8817   18.191   11.976   18.014   13.241   70.341   22.086   70.679   23.317 -0.3382111 32.11675 
1 1 1   17   59    1 o  110.792   28.522   48.522   22.001   0.0000   0.0000   48.522   22.001  ?   ?   110.792   28.522 0.000000 28.52247 
1 1 1   17   59    2 o   39.090   17.949  -7.1899   11.074   0.8332   19.951 -10.7628   13.314   60.248   26.060   41.278   19.207 18.97050 32.37323 
1 1 1   17   59    3 o   97.975   16.186   35.197   10.592   42.488   21.326   32.809   12.204  103.387   28.757   93.448   19.500 9.938530 34.74504 
1 1 1   17   59    4 o  169.385   9.6059  100.899   11.215  101.756   22.264  100.607   12.982  165.961   19.772  168.664   11.185 -2.702881 22.71670 
1 1 1   17   59    5 o  167.161   10.063   98.516   11.588  108.683   21.984   94.603   13.637  171.836   18.791  163.102   12.168 8.733521 22.38646 
1 1 1   17   59    6 o   64.544   20.516   15.362   10.307   27.361   20.828   11.471   11.861   84.608   29.242   59.801   21.914 24.80759 36.54197 
1 1 1   17   59    7 o   84.705   17.580   27.041   9.9689 -15.2829   20.746   39.748   11.367   50.784   23.745  103.630   16.394 -52.84652 28.85512 
1 1 1   17   59    8 f  109.689   15.050   44.207   11.124   15.376   22.808   53.206   12.743   72.883   29.378  120.212   15.690 -47.32841 33.30497 
1 1 1   17   59    9 o   55.616   19.278   10.928   9.0553  -8.1317   23.811   14.151   9.7910   57.533   26.381   61.479   20.040 -3.945972 33.12947 
1 1 1   17   61    0 o   47.675   19.441   3.8468   10.121 -10.7610   15.261   15.316   13.522   44.827   20.757   66.763   23.531 -21.93667 31.37799 
1 1 1   17   61    1 o   95.794   14.198   33.327   9.1283   32.116   12.475   34.722   13.393   92.054   20.140   95.550   20.838 -3.496429 28.98064 
1 1 1   17   61    2 o  140.405   11.273   69.933   10.862   91.805   21.357   62.302   12.616  157.172   20.093  131.565   14.073 25.60777 24.53124 
1 1 1   17   61    3 o   91.290   17.297   31.041   10.529   44.341   20.754   26.431   12.218  105.056   28.026   83.009   21.193 22.04738 35.13699 
1 1 1   17   61    4 o  153.845   10.369   83.695   10.976   84.634   21.610   83.368   12.742  149.701   21.472  152.943   12.137 -3.242325 24.66509 
1 1 1   17   61    5 o   42.986   19.483  -5.4865   12.510 -15.5659   18.693   2.6904   16.836   47.608   22.349   56.629   24.208 -9.021671 32.94691 
1 1 1   17   61    6 o   77.698   18.866   23.108   10.044   16.605   20.152   25.258   11.585   72.316   28.092   80.746   20.649 -8.429512 34.86458 
1 1 1   17   61    7 o   58.092   19.887   12.038   9.6236   1.3961   19.270   15.574   11.108   58.179   25.384   64.627   21.359 -6.448135 33.17446 
1 1 1   17   63    0 o   93.515   17.451   32.672   10.880   44.159   12.841   3.4522   20.481  109.009   17.621   62.055   26.618 46.95439 31.92243 
1 1 1   17   63    1 f   67.385   18.365   17.159   8.7995   14.834   11.753   20.125   13.275   64.437   21.977   72.967   23.293 -8.529121 32.02462 
1 1 1   17   63    2 o   47.647   19.346   4.2490   9.9681   12.620   19.255   1.1844   11.651   68.217   27.166   47.199   20.156 21.01797 33.82684 
1 1 1   17   63    3 o  164.447   10.696   95.883   12.108   82.683   21.867  101.719   14.540  147.012   22.182  168.651   12.547 -21.63905 25.48404 
1 1 1   17   63    4 o   78.156   20.401   23.624   11.154   15.600   19.371   27.604   13.642   70.719   27.522   83.765   22.883 -13.04601 35.79247 
1 1 1   17   63    5 o   70.883   19.269   19.338   9.7013   31.405   19.086   15.135   11.265   87.710   27.923   64.089   21.518 23.62105 35.25250 
1 1 1   17   63    6 o   43.433   18.461   1.4489   9.6902   8.4732   20.386  -0.6014   11.014   64.486   27.058   43.840   19.158 20.64610 33.15364 
1 1 1   17   65    0 o  127.768   11.222   58.298   9.8231   54.144   13.218   63.422   14.681  121.112   16.173  131.030   16.558 -9.917824 23.14582 
1 1 1   17   65    1 f  195.090   7.7818  133.296   10.507  124.702   14.490  142.826   15.259  187.182   11.237  200.458   11.041 -13.27637 15.75339 
1 1 1   17   65    2 o  132.059   11.576   62.435   10.474   90.878   21.935   54.034   11.921  154.154   21.114  121.651   14.441 32.50286 25.57979 
1 1 1   17   65    3 o  106.647   16.471   42.421   11.766   70.439   20.588   28.833   14.338  133.993   23.030   84.889   23.567 49.10450 32.95162 
1 1 1   18    0    0 o  508.992   7.3246  897.286   25.791  897.286   25.791  897.286   25.791  508.992   7.3246  508.992   7.3246 0.000000 0.000000 
1 1 1   18    0    1 o  473.399   7.2307  776.234   23.679  776.234   23.679  776.234   23.679  473.399   7.2307  473.399   7.2307 0.000000 0.000000 
1 1 1   18    0    2 o   91.254   18.432   32.130   10.313   32.130   10.313   32.130   10.313   91.254   18.432   91.254   18.432 0.000000 0.000000 
1 1 1   18    0    3 o  507.758   7.2065  892.894   25.314  892.894   25.314  892.894   25.314  507.758   7.2065  507.758   7.2065 0.000000 0.000000 
1 1 1   18    0    4 o  989.735   10.399  3392.19   71.218  3392.19   71.218  3392.19   71.218  989.735   10.399  989.735   10.399 0.000000 0.000000 
1 1 1   18    0    5 o  556.616   7.4932  1072.92   28.855  1072.92   28.855  1072.92   28.855  556.616   7.4932  556.616   7.4932 0.000000 0.000000 
1 1 1   18    0    6 o  804.989   9.0849  2243.84   50.601  2243.84   50.601  2243.84   50.601  804.989   9.0849  804.989   9.0849 0.000000 0.000000 
1 1 1   18    0    7 o  324.692   10.338  366.049   23.179  366.049   23.179  366.049   23.179  324.692   10.338  324.692   10.338 0.000000 0.000000 
1 1 1   18    0    8 o   88.872   24.081   32.728   12.803   32.728   12.803   32.728   12.803   88.872   24.081   88.872   24.081 0.000000 0.000000 
1 1 1   18    0    9 o  347.645   7.9632  419.006   19.138  419.006   19.138  419.006   19.138  347.645   7.9632  347.645   7.9632 0.000000 0.000000 
1 1 1   18    0   10 o  382.105   8.0563  506.120   21.284  506.120   21.284  506.120   21.284  382.105   8.0563  382.105   8.0563 0.000000 0.000000 
1 1 1   18    0   11 o   54.040   29.455   14.283   15.623   14.283   15.623   14.283   15.623   54.040   29.455   54.040   29.455 0.000000 0.000000 
1 1 1   18    0   12 o   49.544   28.413   10.903   15.476   10.903   15.476   10.903   15.476   49.544   28.413   49.544   28.413 0.000000 0.000000 
1 1 1   18    0   13 o   38.474   24.950  -0.6905   15.787  -0.6905   15.787  -0.6905   15.787   38.474   24.950   38.474   24.950 0.000000 0.000000 
1 1 1   18    0   14 o   87.448   28.538   34.223   15.296   34.223   15.296   34.223   15.296   87.448   28.538   87.448   28.538 0.000000 0.000000 
1 1 1   18    0   15 o  118.369   20.276   53.317   15.148   53.317   15.148   53.317   15.148  118.369   20.276  118.369   20.276 0.000000 0.000000 
1 1 1   18    0   16 o   65.893   29.702   22.805   14.526   22.805   14.526   22.805   14.526   65.893   29.702   65.893   29.702 0.000000 0.000000 
1 1 1   18    0   17 o  117.011   30.988   59.707   21.682   59.707   21.682   59.707   21.682  117.011   30.988  117.011   30.988 0.000000 0.000000 
1 1 1   18    0   18 o  150.777   15.848   84.040   16.120   84.040   16.120   84.040   16.120  150.777   15.848  150.777   15.848 0.000000 0.000000 
1 1 1   18    0   19 o   22.281   16.101 -22.0863   12.883 -22.0863   12.883 -22.0863   12.883   22.281   16.101   22.281   16.101 0.000000 0.000000 
1 1 1   18    0   20 o   24.465   17.366 -13.0570   12.452 -13.0570   12.452 -13.0570   12.452   24.465   17.366   24.465   17.366 0.000000 0.000000 
1 1 1   18    2    0 o  296.349   5.2870  304.049   10.844  316.024   15.431  292.365   15.242  302.067   7.3810  290.533   7.5801 11.53354 10.57998 
1 1 1   18    2    1 o  558.008   5.3161  1077.99   20.531  1066.90   28.783  1089.48   29.295  555.013   7.4929  560.852   7.5469 -5.839966 10.63481 
1 1 1   18    2    2 o  165.607   7.0137   94.975   8.0390   84.130   11.456  105.498   11.284  155.423   10.715  174.238   9.3917 -18.81483 14.24839 
1 1 1   18    2    3 o  222.529   5.7621  171.439   8.8746  161.836   12.421  181.452   12.684  216.155   8.3027  228.889   8.0067 -12.73329 11.53441 
1 1 1   18    2    4 o  857.084   7.6571  2543.90   45.422  2612.68   80.892  2512.23   54.892  867.952   13.466  851.588   9.3133 16.36438 16.37277 
1 1 1   18    2    5 o  957.397   10.186  3175.53   67.496   0.0000   0.0000  3175.53   67.496  ?   ?   957.397   10.186 0.000000 10.18606 
1 1 1   18    2    6 f  685.430   6.7219  1626.54   31.888  1588.78   53.721  1647.08   39.624  677.141   11.463  689.665   8.3013 -12.52368 14.15300 
1 1 1   18    2    7 o  310.619   5.5195  333.988   11.866  315.606   16.662  352.904   16.902  301.902   7.9741  319.251   7.6496 -17.34866 11.05006 
1 1 1   18    2    8 o  214.916   7.7923  159.942   11.591  147.949   14.288  183.024   19.822  206.659   9.9894  229.445   12.530 -22.78610 16.02433 
1 1 1   18    2    9 o  604.753   5.7197  1266.16   23.940  1284.07   33.966  1248.47   33.748  608.890   8.0599  600.385   8.1217 8.504822 11.44215 
1 1 1   18    2   10 o  169.012   9.3308   99.292   10.872  103.364   15.650   95.494   15.116  172.076   13.242  165.347   13.322 6.728790 18.78363 
1 1 1   18    2   11 o  533.732   5.7712  986.487   21.319  971.640   29.724  1002.21   30.594  529.524   8.1105  537.781   8.2196 -8.256714 11.54740 
1 1 1   18    2   12 o  199.799   8.7594  138.437   12.113  147.831   17.006  128.764   17.257  205.933   11.984  192.007   13.063 13.92537 17.72728 
1 1 1   18    2   13 o  502.551   5.8292  875.206   20.275  910.321   29.068  841.935   28.295  512.186   8.1999  492.555   8.2999 19.63068 11.66733 
1 1 1   18    2   14 f  159.629   11.824   89.393   12.971  117.512   23.493   77.061   15.557  181.403   18.993  147.398   15.481 34.00540 24.50296 
1 1 1   18    2   15 o   43.604   18.812  -0.6537   10.343   2.9564   14.444  -4.4534   14.818   54.738   22.858   49.031   21.789 5.706299 31.57937 
1 1 1   18    2   16 f  107.455   16.694   42.034   12.012   45.307   21.049   40.453   14.629  107.964   27.950  103.990   21.047 3.974503 34.98880 
1 1 1   18    2   17 o  122.418   14.586   54.090   12.115   28.654   19.971   68.903   15.240   86.596   28.640  137.703   16.307 -51.10715 32.95707 
1 1 1   18    2   18 o   60.631   22.039   12.198   11.961   10.305   14.922   15.600   20.006   61.326   24.074   71.435   27.923 -10.10922 36.86805 
1 1 1   18    2   19 o  183.382   8.4244  118.300   10.692  105.914   15.262  130.237   14.984  171.184   12.979  190.820   11.398 -19.63504 17.27267 
1 1 1   18    2   20 o   64.724   20.398   16.605   10.205   24.875   12.849   2.4776   16.794   77.524   22.575   54.179   23.666 23.34505 32.70673 
1 1 1   18    4    0 o  994.582   7.4105  3426.00   51.011  3374.66   71.015  3480.73   73.322  986.706   10.399  1002.07   10.572 -15.36053 14.82925 
1 1 1   18    4    1 o  643.662   5.6231  1434.39   25.050  1400.47   34.852  1470.63   36.030  635.862   7.9193  651.589   7.9893 -15.72681 11.24919 
1 1 1   18    4    2 o  129.946   8.5523   58.748   7.6488   58.325   10.699   59.190   10.938  129.126   12.114  130.068   12.297 -0.9421082 17.26131 
1 1 1   18    4    3 o  530.836   5.1868  975.482   19.056  954.002   26.775  997.532   27.127  524.865   7.3706  536.710   7.3028 -11.84436 10.37576 
1 1 1   18    4    4 o  584.871   10.678  1185.37   43.225  1185.37   43.225   0.0000   0.0000  584.871   10.678  ?   ?  0.000000 10.67812 
1 1 1   18    4    5 o  543.112   6.0335  1021.16   22.680  1084.39   40.250  991.745   27.453  559.461   10.395  535.180   7.4115 24.28149 12.76653 
1 1 1   18    4    6 o  393.719   5.1508  536.576   14.036  537.193   19.863  535.961   19.836  393.894   7.2861  393.442   7.2843 0.4517822 10.30283 
1 1 1   18    4    7 o  574.003   5.4675  1140.51   21.721  1130.06   30.538  1151.22   30.901  571.284   7.7235  576.607   7.7431 -5.323792 10.93654 
1 1 1   18    4    8 o  585.508   5.5475  1186.74   22.481  1201.32   32.151  1172.78   31.446  588.997   7.8868  581.962   7.8072 7.035034 11.09747 
1 1 1   18    4    9 o  479.129   6.2649  794.832   20.775  790.485   25.499  803.415   35.831  477.753   7.7115  481.467   10.753 -3.713867 13.23198 
1 1 1   18    4   10 o   48.171   19.523   3.2882   10.132   1.7004   13.941   5.0659   14.750   53.580   22.422   58.328   23.585 -4.747932 32.54248 
1 1 1   18    4   11 o  654.453   6.0248  1483.31   27.290  1511.07   39.011  1456.70   38.189  660.299   8.5363  648.313   8.5110 11.98535 12.05427 
1 1 1   18    4   12 o  642.602   6.9410  1430.93   30.870  1426.21   37.719  1440.49   53.724  641.328   8.4977  643.872   12.056 -2.543762 14.74965 
1 1 1   18    4   13 o   82.397   19.712   24.814   11.090   16.199   15.939   32.898   15.441   72.032   25.531   94.588   23.649 -22.55566 34.80082 
1 1 1   18    4   14 o  459.484   5.7761  732.092   18.369  763.919   26.708  703.524   25.303  468.878   8.2301  449.986   8.1246 18.89255 11.56479 
1 1 1   18    4   15 o  293.313   8.9518  299.688   18.173   0.0000   0.0000  299.688   18.173  ?   ?   293.313   8.9518 0.000000 8.951790 
1 1 1   18    4   16 o   65.062   20.430   15.277   10.247   18.214   14.428   12.287   14.556   71.974   24.351   64.513   24.158 7.461182 34.30153 
1 1 1   18    4   17 o  123.490   12.337   54.410   10.403   55.382   14.179   53.276   15.311  122.946   17.128  119.759   19.115 3.187149 25.66591 
1 1 1   18    4   18 f   42.025   18.381  -1.0810   10.161   18.148   14.682 -18.7555   14.076   70.527   24.541   37.948   18.252 32.57946 30.58464 
1 1 1   18    4   19 o   73.811   19.420   21.249   10.055   39.001   14.678   5.5518   13.802   99.125   21.971   54.175   22.460 44.94978 31.41936 
1 1 1   18    4   20 o  104.791   13.727   40.787   9.7165   45.928   13.867   35.829   13.619  107.993   19.259   93.744   21.454 14.24890 28.83051 
1 1 1   18    6    0 o  559.281   5.3578  1082.90   20.739  1064.15   29.015  1102.49   29.655  554.303   7.5631  564.199   7.5944 -9.896118 10.71802 
1 1 1   18    6    1 o  303.446   5.2276  318.772   10.979  311.166   15.430  326.571   15.625  299.744   7.4378  307.077   7.3516 -7.333069 10.45788 
1 1 1   18    6    2 o  1028.38   7.6064  3662.64   54.139  3539.82   74.359  3801.19   78.978  1010.61   10.631  1047.21   10.897 -36.60535 15.22351 
1 1 1   18    6    3 o  736.874   8.5021  1880.74   43.361   0.0000   0.0000  1880.74   43.361  ?   ?   736.874   8.5021 0.000000 8.502134 
1 1 1   18    6    4 o  461.765   5.7504  738.167   18.378  781.463   32.781  718.320   22.194  474.933   9.9726  455.472   7.0404 19.46103 12.20741 
1 1 1   18    6    5 o  768.229   8.7321  2043.97   46.429   0.0000   0.0000  2043.97   46.429  ?   ?   768.229   8.7321 0.000000 8.732148 
1 1 1   18    6    6 o  520.141   5.2493  936.493   18.897  914.796   26.520  958.873   26.934  514.011   7.4547  526.250   7.3950 -12.23962 10.50040 
1 1 1   18    6    7 o  255.875   6.7763  226.671   12.000  229.219   19.543  225.128   15.205  257.216   10.978  254.968   8.6163 2.248596 13.95518 
1 1 1   18    6    8 o  237.361   6.4697  195.057   10.628  193.470   14.902  196.700   15.163  236.340   9.1104  238.303   9.1933 -1.962631 12.94282 
1 1 1   18    6    9 o  278.186   6.3353  267.949   12.198  273.336   17.177  262.470   17.324  280.897   8.8356  275.249   9.0939 5.648224 12.67937 
1 1 1   18    6   10 o  213.103   8.8617  157.362   13.070  151.408   15.883  169.854   23.004  208.667   11.037  220.605   15.159 -11.93837 18.75102 
1 1 1   18    6   11 o  175.404   10.887  107.145   13.151  120.199   15.837   78.146   23.605  185.658   12.396  147.560   23.932 38.09727 26.95231 
1 1 1   18    6   12 o  172.670   9.7043  103.781   11.550   78.597   16.178  129.966   16.496  149.338   15.896  192.973   12.417 -43.63467 20.17138 
1 1 1   18    6   13 o  301.751   6.5324  315.673   13.643  331.887   19.554  300.296   19.043  309.134   9.1393  294.028   9.3578 15.10565 13.08032 
1 1 1   18    6   14 o  201.066   8.5359  140.533   11.879  138.485   17.147  142.424   16.471  198.697   12.533  201.654   11.854 -2.957031 17.25049 
1 1 1   18    6   15 o  151.482   10.647   80.546   11.092   77.793   16.053   83.062   15.343  147.556   15.974  152.887   14.681 -5.331406 21.69540 
1 1 1   18    6   16 o   54.834   21.596   6.8959   12.045 -24.2488   21.922   20.365   14.416   49.466   23.513   74.883   24.312 -25.41732 33.82274 
1 1 1   18    6   17 f  142.437   10.780   71.767   10.548   72.400   14.710   71.097   15.134  141.558   15.255  140.015   15.899 1.543274 22.03392 
1 1 1   18    6   18 o   69.347   19.822   18.362   9.9903   14.982   13.973   21.895   14.289   65.931   23.843   75.429   24.176 -9.498123 33.95485 
1 1 1   18    6   19 o   68.601   23.696   17.849   13.676   17.849   13.676   0.0000   0.0000   68.601   23.696  ?   ?  0.000000 23.69611 
1 1 1   18    6   20 o   49.180   19.241   6.9425   9.5055   7.4099   13.589   6.4948   13.301   54.665   22.436   53.385   22.083 1.279610 31.48087 
1 1 1   18    8    0 o  474.971   5.9337  781.074   19.506  729.268   32.818  809.375   24.256  458.722   10.337  483.441   7.2492 -24.71887 12.62527 
1 1 1   18    8    1 o  1068.32   9.0212  3953.93   66.703  3841.46  112.267  4015.30   82.927  1051.89   15.421  1076.26   11.133 -24.37061 19.01927 
1 1 1   18    8    2 o  802.789   7.3189  2231.78   40.665  2154.63   68.397  2273.97   50.575  788.263   12.537  810.195   9.0192 -21.93207 15.44407 
1 1 1   18    8    3 o  285.505   7.2982  282.263   14.421  257.463   20.180  308.146   20.616  272.573   10.697  298.224   9.9883 -25.65073 14.63544 
1 1 1   18    8    4 o  522.315   5.2048  944.371   18.815  940.281   26.805  948.344   26.417  521.101   7.4322  523.337   7.2933 -2.235352 10.41295 
1 1 1   18    8    5 o  717.467   8.3954  1782.63   41.689   0.0000   0.0000  1782.63   41.689  ?   ?   717.467   8.3954 0.000000 8.395432 
1 1 1   18    8    6 o  464.327   5.1570  746.286   16.573  729.818   23.226  763.369   23.655  459.116   7.3093  469.552   7.2787 -10.43579 10.31531 
1 1 1   18    8    7 o  819.599   7.5275  2325.90   42.700  2307.24   52.028  2364.39   74.738  816.193   9.2102  825.891   13.075 -9.698120 15.99318 
1 1 1   18    8    8 o  672.584   5.9078  1566.06   27.501  1579.52   39.128  1552.93   38.660  675.334   8.3713  669.628   8.3417 5.705688 11.81790 
1 1 1   18    8    9 o  515.045   5.5311  918.376   19.717  939.468   28.281  898.431   27.502  520.814   7.8459  509.315   7.8018 11.49933 11.06465 
1 1 1   18    8   10 o  604.319   6.7084  1264.79   28.058  1259.66   34.314  1275.12   48.743  602.976   8.2223  606.312   11.615 -3.335876 14.23111 
1 1 1   18    8   11 f  443.685   6.5635  681.875   20.155  695.677   25.059  656.585   33.920  448.044   8.0810  434.981   11.267 13.06277 13.86540 
1 1 1   18    8   12 o   99.943   16.461   35.742   10.990   54.832   15.283   15.299   15.815  123.953   18.370   71.069   25.405 52.88435 31.35121 
1 1 1   18    8   13 o  509.161   5.7661  898.461   20.320  902.374   28.829  894.598   28.645  509.889   8.1690  507.690   8.1522 2.198669 11.54085 
1 1 1   18    8   14 o  244.811   8.2867  208.308   14.041  193.610   24.242  215.728   17.224  234.391   15.023  248.885   9.9988 -14.49480 18.04605 
1 1 1   18    8   15 o  163.085   9.9676   93.162   11.197   89.599   16.320   96.330   15.390  158.706   15.037  165.005   13.597 -6.298019 20.27302 
1 1 1   18    8   16 o   44.000   18.871   0.0718   10.292  -2.2206   14.939   2.1430   14.200   50.600   22.206   53.136   22.454 -2.535896 31.58020 
1 1 1   18    8   17 o   42.306   18.971  -4.1130   11.502   15.746   20.510 -13.2246   13.893   72.986   28.343   40.784   19.185 32.20252 34.22572 
1 1 1   18    8   18 o  155.309   11.325   85.906   12.089   69.250   15.157  115.024   20.041  137.267   16.271  177.157   16.536 -39.88962 23.19896 
1 1 1   18    8   19 o   77.502   18.175   23.228   9.5803   35.179   13.888   12.378   13.233   94.006   21.774   61.095   23.003 32.91064 31.67401 
1 1 1   18    8   20 o  117.684   15.077   52.081   11.998   60.842   14.705   34.629   20.754  125.779   17.354   87.126   29.207 38.65222 33.97386 
1 1 1   18   10    0 o  608.404   6.3777  1281.62   26.856  1261.46   46.033  1292.03   33.066  603.284   11.025  610.787   7.8219 -7.503052 13.51776 
1 1 1   18   10    1 o  358.946   5.8477  446.063   14.528  412.780   24.491  464.130   18.045  345.138   10.253  366.105   7.1215 -20.96606 12.48343 
1 1 1   18   10    2 o  745.615   6.1114  1924.76   31.538  1834.97   43.176  2027.46   46.177  727.854   8.5708  765.067   8.7207 -37.21265 12.22742 
1 1 1   18   10    3 o  698.918   5.8677  1691.11   28.384  1672.36   39.935  1710.25   40.349  694.895   8.3035  702.722   8.2961 -7.827271 11.73768 
1 1 1   18   10    4 o  781.619   6.2761  2115.04   33.952  2053.37   47.035  2182.15   49.059  769.980   8.8260  793.750   8.9301 -23.77026 12.55565 
1 1 1   18   10    5 o  219.131   6.2036  166.234   9.4085  165.161   13.301  167.308   13.310  218.381   8.8004  219.797   8.7494 -1.415817 12.40967 
1 1 1   18   10    6 o  515.645   7.4675  920.615   26.650   0.0000   0.0000  920.615   26.650  ?   ?   515.645   7.4675 0.000000 7.467482 
1 1 1   18   10    7 o  690.002   5.9414  1648.16   28.374  1655.73   40.470  1640.85   39.792  691.459   8.4564  688.351   8.3524 3.108459 11.88584 
1 1 1   18   10    8 o  242.527   6.6222  203.652   11.116  175.928   15.656  231.838   15.785  225.341   10.038  258.715   8.8157 -33.37453 13.35969 
1 1 1   18   10    9 o  796.481   7.4796  2197.09   41.232  2211.66   50.748  2168.78   70.725  798.955   9.1774  790.702   12.924 8.253723 15.85073 
1 1 1   18   10   10 o  332.864   6.0520  383.677   13.943  364.060   19.317  405.013   20.145  324.134   8.6105  341.884   8.5137 -17.75021 12.10882 
1 1 1   18   10   11 f  151.500   10.955   80.057   11.410   67.121   16.144   92.966   16.127  137.739   17.318  162.885   14.456 -25.14601 22.55802 
1 1 1   18   10   12 o  539.648   6.6669  1009.19   24.901  1022.82   30.788  983.415   42.340  543.087   8.1909  531.979   11.499 11.10718 14.11841 
1 1 1   18   10   13 f  315.915   7.2079  346.213   15.760  351.463   25.998  343.162   19.816  317.650   11.825  314.292   9.1099 3.357727 14.92740 
1 1 1   18   10   14 o  139.373   11.339   68.228   10.843   62.413   15.790   73.418   14.915  131.820   17.759  143.793   15.218 -11.97325 23.38713 
1 1 1   18   10   15 o  345.709   6.1620  414.979   14.744  394.564   20.814  435.539   20.888  336.477   8.9377  353.626   8.5344 -17.14917 12.35798 
1 1 1   18   10   16 o   40.925   18.034  -2.2258   9.9434   10.874   14.298 -14.4966   13.838   62.428   23.814   40.198   18.981 22.23031 30.45286 
1 1 1   18   10   17 o   85.399   19.701   27.665   11.407   25.759   14.428   30.844   18.631   81.753   23.955   88.748   27.496 -6.995087 36.46713 
1 1 1   18   10   18 o   81.495   20.075   25.661   11.249   23.780   20.396   26.483   13.486   79.593   28.802   82.048   22.884 -2.454697 36.78659 
1 1 1   18   10   19 o   24.717   12.383 -24.5067   9.0425 -27.3868   12.981 -21.7921   12.603   31.888   15.786   33.354   16.321 -1.466888 22.70644 
1 1 1   18   12    0 o  298.921   6.2230  309.359   12.874  267.317   21.502  332.856   16.074  277.722   11.186  310.032   7.4912 -32.31012 13.46297 
1 1 1   18   12    1 o  225.132   6.0903  175.476   9.4897  151.549   13.388  199.636   13.453  209.160   9.2483  240.090   8.0960 -30.92995 12.29132 
1 1 1   18   12    2 o  145.838   9.5822   73.998   9.6181   77.342   12.076   68.195   15.906  148.911   11.814  139.141   16.861 9.769440 20.58832 
1 1 1   18   12    3 o  365.857   5.0894  463.333   12.887  460.864   18.503  465.658   17.960  364.826   7.3278  366.726   7.0759 -1.899872 10.18650 
1 1 1   18   12    4 o  561.790   5.3789  1092.50   20.914  1045.65   29.037  1143.01   30.150  549.529   7.6345  574.547   7.5819 -25.01721 10.75972 
1 1 1   18   12    5 o  846.447   6.6350  2480.44   38.870  2467.47   54.945  2493.44   54.997  844.052   9.4055  848.484   9.3652 -4.431885 13.27294 
1 1 1   18   12    6 o  262.235   5.9409  238.054   10.783  241.003   15.619  235.368   14.904  263.807   8.5543  260.711   8.2597 3.096436 11.89115 
1 1 1   18   12    7 o  709.502   6.0301  1742.68   29.611  1781.60   42.774  1706.86   41.034  717.242   8.6165  702.047   8.4450 15.19580 12.06496 
1 1 1   18   12    8 o  349.549   6.4468  423.041   15.596  410.898   19.059  447.659   27.136  344.448   7.9946  359.405   10.909 -14.95670 13.52486 
1 1 1   18   12    9 o   43.219   18.424  -0.1875   9.7028  -2.3892   13.565   2.1193   13.885   49.134   21.370   53.914   22.454 -4.779587 30.99734 
1 1 1   18   12   10 o  393.813   5.7735  537.029   15.737  553.721   22.517  521.091   22.002  399.764   8.1381  387.803   8.1974 11.96100 11.55097 
1 1 1   18   12   11 o  461.637   5.7316  738.055   18.313  740.278   25.906  735.836   25.890  462.151   8.0991  460.760   8.1186 1.390381 11.46765 
1 1 1   18   12   12 o  116.838   16.013   48.511   12.608   16.083   20.458   68.370   16.010   76.627   28.651  138.879   17.012 -62.25214 33.32039 
1 1 1   18   12   13 o  368.590   6.8926  471.253   17.584  461.833   21.250  491.707   31.313  364.677   8.4194  375.600   12.045 -10.92310 14.69622 
1 1 1   18   12   14 o  166.273   9.5434   96.585   10.937   83.738   15.129  110.645   15.828  153.823   14.378  177.324   12.987 -23.50157 19.37455 
1 1 1   18   12   15 o   38.723   17.587  -5.6594   10.258   9.6175   14.341 -21.6654   14.680   61.436   23.745   38.382   18.504 23.05393 30.10338 
1 1 1   18   12   16 o   59.984   20.070   12.494   9.7992   19.805   14.145   5.7474   13.588   73.792   24.089   55.685   22.595 18.10687 33.02700 
1 1 1   18   12   17 o  169.921   9.2515  101.524   10.839   93.298   15.632  109.141   15.043  161.160   14.158  175.081   12.496 -13.92075 18.88414 
1 1 1   18   12   18 o   90.602   16.618   30.744   10.036   44.081   14.953   19.809   13.540  106.850   20.968   72.038   23.570 34.81243 31.54706 
1 1 1   18   12   19 o   41.484   18.987  -5.9727   12.255   0.0000   0.0000  -5.9727   12.255  ?   ?    41.484   18.987 0.000000 18.98660 
1 1 1   18   14    0 o  481.201   5.2797  801.563   17.584  729.493   23.910  886.449   25.949  458.984   7.5267  505.962   7.4102 -46.97827 10.56230 
1 1 1   18   14    1 o  222.755   6.2248  171.787   9.5969  168.771   13.542  174.829   13.602  220.741   8.8639  224.671   8.7476 -3.929413 12.45349 
1 1 1   18   14    2 o  234.001   8.3782  189.633   13.569   0.0000   0.0000  189.633   13.569  ?   ?   234.001   8.3782 0.000000 8.378188 
1 1 1   18   14    3 o  737.086   6.0938  1880.83   31.087  1905.64   44.655  1857.50   43.304  741.784   8.6980  732.365   8.5433 9.419861 12.19192 
1 1 1   18   14    4 o  425.780   5.1643  627.522   15.219  630.367   21.925  624.878   21.141  426.685   7.4242  424.830   7.1901 1.854584 10.33523 
1 1 1   18   14    5 o  245.772   8.4163  209.172   14.316   0.0000   0.0000  209.172   14.316  ?   ?   245.772   8.4163 0.000000 8.416267 
1 1 1   18   14    6 o  616.209   5.6589  1314.43   24.134  1278.03   33.800  1352.29   34.473  607.521   8.0385  624.926   7.9702 -17.40515 11.31998 
1 1 1   18   14    7 o  419.815   6.1598  610.155   17.898  613.471   22.462  604.390   29.621  420.906   7.7106  417.677   10.247 3.228821 12.82362 
1 1 1   18   14    8 o  446.059   5.4222  688.807   16.740  687.538   23.730  690.063   23.617  445.562   7.6952  446.381   7.6445 -0.8195801 10.84681 
1 1 1   18   14    9 o  159.117   9.6998   88.071   10.631   72.437   14.898  104.290   15.175  143.618   15.220  172.907   12.771 -29.28847 19.86826 
1 1 1   18   14   10 o  312.268   6.3253  337.709   13.671  358.155   19.914  319.487   18.800  321.455   8.9507  303.607   8.9469 17.84821 12.65556 
1 1 1   18   14   11 o  165.384   10.810   95.337   12.306  112.098   19.990   85.109   15.615  178.641   16.349  155.721   14.661 22.92018 21.96037 
1 1 1   18   14   12 f  359.040   6.0027  446.684   14.916  441.059   21.056  452.350   21.134  356.534   8.5329  361.078   8.4569 -4.543518 12.01369 
1 1 1   18   14   13 o  258.543   7.0851  231.935   12.678  233.461   18.080  230.458   17.783  259.040   10.084  257.382   9.9828 1.658081 14.18981 
1 1 1   18   14   14 o  109.741   16.316   43.345   12.016   39.398   14.486   52.049   21.513  103.337   20.970  117.414   27.033 -14.07657 34.21283 
1 1 1   18   14   15 f  185.226   8.7502  119.597   11.218  119.750   15.917  119.447   15.812  184.229   12.558  184.013   12.489 0.2155151 17.71107 
1 1 1   18   14   16 o  112.434   13.283   45.278   10.137   49.499   14.595   41.344   14.090  115.775   18.864  105.172   20.090 10.60349 27.55798 
1 1 1   18   14   17 o   72.631   18.887   19.992   9.5833   12.382   13.878   26.928   13.250   63.041   23.592   83.439   22.451 -20.39778 32.56717 
1 1 1   18   14   18 o   37.717   17.165  -4.9057   9.8339 -24.2061   14.626   11.016   13.285   36.424   17.771   60.063   22.945 -23.63842 29.02201 
1 1 1   18   14   19 f   67.627   18.768   17.852   9.0943   14.319   13.446   20.832   12.347   63.377   23.316   72.247   22.384 -8.869755 32.32128 
1 1 1   18   16    0 o   37.129   16.797  -5.2578   9.2490 -20.5073   16.309   1.9719   11.229   42.759   20.312   48.851   20.256 -6.092396 28.68631 
1 1 1   18   16    1 o  592.386   7.8175  1215.16   32.051   0.0000   0.0000  1215.16   32.051  ?   ?   592.386   7.8175 0.000000 7.817481 
1 1 1   18   16    2 o  520.158   7.4451  936.834   26.803   0.0000   0.0000  936.834   26.803  ?   ?   520.158   7.4451 0.000000 7.445062 
1 1 1   18   16    3 o  425.309   5.1744  626.136   15.232  633.255   22.056  619.646   21.060  427.660   7.4516  423.047   7.1927 4.612549 10.35671 
1 1 1   18   16    4 o  772.428   6.2882  2065.50   33.617  2086.69   48.221  2045.46   46.891  776.231   8.9757  768.534   8.8156 7.697021 12.58084 
1 1 1   18   16    5 o  506.265   5.3400  887.195   18.711  883.958   26.607  890.362   26.317  505.271   7.6086  507.102   7.4984 -1.831055 10.68255 
1 1 1   18   16    6 o  394.303   7.5405  538.336   20.578  528.781   30.477  546.341   27.897  390.651   11.272  397.133   10.150 -6.481384 15.16827 
1 1 1   18   16    7 o  1038.88   15.612  3745.37  112.252  3745.37  112.252   0.0000   0.0000  1038.88   15.612  ?   ?  0.000000 15.61177 
1 1 1   18   16    8 o  247.851   7.6190  212.754   13.070  202.781   23.975  216.971   15.590  241.294   14.422  250.255   9.0007 -8.961548 17.00046 
1 1 1   18   16    9 o   99.936   18.542   35.862   12.352   49.073   23.398   30.758   14.544  116.015   29.170   92.074   22.915 23.94129 37.09441 
1 1 1   18   16   10 o  384.703   8.2523  512.882   21.973   0.0000   0.0000  512.882   21.973  ?   ?   384.703   8.2523 0.000000 8.252346 
1 1 1   18   16   11 o  354.449   6.0129  435.197   14.751  431.101   21.149  439.076   20.584  352.588   8.6665  355.860   8.3574 -3.272064 12.03965 
1 1 1   18   16   12 o  402.901   5.7439  562.484   16.017  570.867   22.838  554.370   22.469  405.626   8.1351  399.724   8.1217 5.902222 11.49525 
1 1 1   18   16   13 o  170.826   9.3934  101.794   11.063   84.423   15.643  119.174   15.648  154.551   14.806  184.377   12.334 -29.82660 19.26994 
1 1 1   18   16   14 f  193.621   8.2240  130.403   11.021  135.116   15.634  125.748   15.538  196.267   11.560  189.236   11.925 7.031387 16.60822 
1 1 1   18   16   15 f  128.224   17.156   59.507   14.844   59.507   14.844   0.0000   0.0000  128.224   17.156  ?   ?  0.000000 17.15632 
1 1 1   18   16   16 o   46.586   18.973   3.5839   9.6246   17.761   14.189  -8.4968   13.098   70.804   24.148   42.351   19.474 28.45333 31.02211 
1 1 1   18   16   17 o   43.637   18.500   1.2374   9.6905  -7.4292   13.999   9.2105   13.427   44.466   20.330   58.654   22.890 -14.18758 30.61461 
1 1 1   18   16   18 o  132.853   11.044   63.042   10.063   57.179   14.717   68.189   13.790  123.523   17.722  136.558   14.828 -13.03507 23.10751 
1 1 1   18   16   19 f   66.193   18.648   17.121   8.9082   33.853   13.298   3.5014   11.998   91.851   21.328   49.097   20.688 42.75386 29.71298 
1 1 1   18   18    0 o  153.034   10.087   81.478   10.624   69.203   13.273  103.366   17.724  140.607   13.817  171.984   15.041 -31.37720 20.42455 
1 1 1   18   18    1 o  492.221   5.3124  838.664   18.098  826.490   25.685  850.667   25.504  488.565   7.5960  495.665   7.4344 -7.100250 10.62869 
1 1 1   18   18    2 o  328.122   7.8161  372.795   17.750  372.795   17.750   0.0000   0.0000  328.122   7.8161  ?   ?  0.000000 7.816088 
1 1 1   18   18    3 o  264.450   6.0359  242.092   11.047  223.133   15.871  259.913   15.387  253.829   9.0341  273.972   8.1147 -20.14278 12.14348 
1 1 1   18   18    4 f  214.690   6.6895  159.570   9.9399  161.755   14.611  157.687   13.562  216.104   9.7690  213.380   9.1829 2.723679 13.40742 
1 1 1   18   18    5 o  857.597   6.7863  2546.28   40.280  2566.82   57.604  2526.62   56.347  860.854   9.6682  854.097   9.5320 6.756287 13.57693 
1 1 1   18   18    6 o  781.929   9.0354  2117.66   48.898  2052.68   68.571  2184.88   69.748  769.499   12.875  793.910   12.694 -24.41113 18.08044 
1 1 1   18   18    7 o  417.935   6.2832  604.751   18.175  655.610   34.295  584.890   21.432  434.910   11.394  410.970   7.5347 23.94000 13.65958 
1 1 1   18   18    8 o  299.884   7.1122  311.444   14.762  343.805   28.157  299.178   17.335  314.805   12.923  293.871   8.5229 20.93469 15.48045 
1 1 1   18   18    9 o  552.402   6.6038  1056.82   25.248  1086.34   46.182  1044.23   30.153  559.567   11.925  549.006   7.9356 10.56042 14.32379 
1 1 1   18   18   10 o  221.198   10.650  169.753   16.305   0.0000   0.0000  169.753   16.305  ?   ?   221.198   10.650 0.000000 10.65001 
1 1 1   18   18   11 o  478.177   5.7326  792.053   18.972  775.894   27.113  807.557   26.557  473.020   8.2818  482.614   7.9506 -9.593964 11.48042 
1 1 1   18   18   12 o  271.904   6.7940  256.362   12.786  275.140   18.528  239.289   17.666  281.415   9.5125  262.418   9.7269 18.99731 13.60514 
1 1 1   18   18   13 o  199.354   11.254  139.025   15.464  139.025   15.464   0.0000   0.0000  199.354   11.254  ?   ?  0.000000 11.25371 
1 1 1   18   18   14 o  114.009   15.119   46.565   11.636   47.610   14.320   44.532   19.964  114.312   18.750  108.290   26.785 6.021454 32.69543 
1 1 1   18   18   15 o   96.317   15.660   33.708   10.080   28.222   14.798   38.458   13.769   86.339   23.933  101.623   20.287 -15.28376 31.37457 
1 1 1   18   18   16 o   61.748   21.732   12.803   11.529   2.6552   13.916   35.015   20.588   52.861   22.277   94.419   28.847 -41.55851 36.44711 
1 1 1   18   18   17 o  179.656   9.7544  113.846   12.083  102.878   19.808  120.347   15.249  167.367   17.352  183.828   12.052 -16.46109 21.12717 
1 1 1   18   18   18 o   85.474   16.461   27.536   9.3848   23.182   13.280   31.879   13.265   76.557   23.119   89.899   21.590 -13.34241 31.63226 
1 1 1   18   18   19 o  103.383   12.829   39.216   8.9824   43.830   13.414   35.466   12.094  106.083   18.966   95.157   19.029 10.92654 26.86652 
1 1 1   18   20    0 o  495.519   6.2349  850.009   21.383  835.276   26.183  879.512   37.052  491.159   7.7023  503.872   10.625 -12.71320 13.12291 
1 1 1   18   20    1 o  1011.74   7.5635  3544.18   52.963  3484.43   73.823  3607.54   76.028  1002.92   10.635  1020.47   10.765 -17.55084 15.13221 
1 1 1   18   20    2 o  147.218   9.1069   75.346   9.2336   71.118   13.485   79.077   12.669  142.562   13.842  150.563   12.264 -8.000320 18.49357 
1 1 1   18   20    3 o  228.368   6.5673  180.547   10.380  149.654   14.887  209.775   14.480  207.853   10.348  246.127   8.5005 -38.27339 13.39212 
1 1 1   18   20    4 o  177.672   8.0419  109.307   9.8891  107.645   13.997  110.965   13.974  175.879   11.563  178.599   11.364 -2.719788 16.21215 
1 1 1   18   20    5 o  400.182   7.5461  554.512   20.901  573.659   31.535  539.512   27.912  406.892   11.198  394.638   10.219 12.25397 15.15980 
1 1 1   18   20    6 o  419.299   6.2564  608.681   18.156  639.512   33.382  595.729   21.636  429.573   11.228  414.772   7.5369 14.80115 13.52291 
1 1 1   18   20    7 o  480.043   6.3656  797.894   21.149  786.829   37.647  802.997   25.565  476.415   11.417  481.516   7.6710 -5.101624 13.75512 
1 1 1   18   20    8 o  331.429   6.8939  380.418   15.814  433.024   30.186  360.519   18.565  353.305   12.345  322.588   8.3152 30.71646 14.88390 
1 1 1   18   20    9 o  374.649   8.0689  486.347   20.923   0.0000   0.0000  486.347   20.923  ?   ?   374.649   8.0689 0.000000 8.068873 
1 1 1   18   20   10 o  286.915   7.6785  285.288   15.248  329.854   29.937  269.676   17.718  307.990   14.044  278.868   9.1801 29.12247 16.77811 
1 1 1   18   20   11 o   95.826   22.677   33.598   14.805   0.0000   0.0000   33.598   14.805  ?   ?    95.826   22.677 0.000000 22.67659 
1 1 1   18   20   12 f  202.420   9.5687  142.420   13.405  160.488   25.198  135.287   15.832  213.164   17.227  196.735   11.680 16.42877 20.81270 
1 1 1   18   20   13 o   89.318   17.355   29.069   10.342   16.382   14.683   41.563   14.570   70.604   24.544  106.451   20.520 -35.84637 31.99139 
1 1 1   18   20   14 o  116.089   12.954   47.872   10.230   34.849   14.588   60.474   14.350   96.491   22.292  129.754   16.342 -33.26318 27.64084 
1 1 1   18   20   15 o  177.815   8.5855  110.316   10.566  113.726   15.235  107.156   14.666  179.361   12.348  174.110   12.249 5.251419 17.39277 
1 1 1   18   20   16 o   47.139   19.602   2.7062   10.560   2.3688   17.298   2.9066   13.332   57.550   24.568   52.077   21.868 5.472294 32.89051 
1 1 1   18   20   17 o   48.406   20.463   2.2013   11.801  -1.3438   14.285   9.8195   20.941   49.360   21.687   67.189   27.744 -17.82881 35.21489 
1 1 1   18   20   18 o  125.659   11.110   56.581   9.5630   84.126   13.591   29.568   13.459  152.510   13.000   86.052   22.385 66.45743 25.88600 
1 1 1   18   20   19 f   36.393   16.235  -2.0495   8.3101   2.4878   12.218  -5.9548   11.336   48.127   20.599   39.398   18.116 8.729347 27.43213 
1 1 1   18   22    0 o  591.864   6.5418  1212.72   26.798  1183.51   32.509  1274.63   47.334  584.636   8.0343  606.554   11.275 -21.91821 13.84490 
1 1 1   18   22    1 o  931.775   7.1524  3005.88   46.126  2927.39   63.894  3091.30   66.657  919.322   10.042  944.695   10.195 -25.37360 14.30985 
1 1 1   18   22    2 o  669.714   5.8990  1552.62   27.343  1494.46   37.958  1615.36   39.422  656.945   8.3482  683.002   8.3395 -26.05670 11.79996 
1 1 1   18   22    3 o  276.177   6.1169  264.043   11.692  245.837   16.557  282.152   16.513  266.431   8.9790  285.447   8.3585 -19.01547 12.26734 
1 1 1   18   22    4 f  499.505   10.602  864.390   36.652   0.0000   0.0000  864.390   36.652  ?   ?   499.505   10.602 0.000000 10.60185 
1 1 1   18   22    5 o  463.674   5.5301  744.248   17.747  739.951   25.708  748.161   24.529  462.248   8.0354  464.821   7.6247 -2.573730 11.07721 
1 1 1   18   22    6 o   74.466   20.890   19.824   11.204 -23.3024   21.597   35.706   13.106   50.852   23.920   99.610   19.708 -48.75795 30.99338 
1 1 1   18   22    7 o  397.113   6.4565  546.063   17.746  544.390   32.522  546.772   21.176  396.215   11.860  397.319   7.7006 -1.104462 14.14028 
1 1 1   18   22    8 o  131.142   12.849   60.255   11.512   55.268   20.222   62.647   14.003  123.614   24.502  133.386   15.455 -9.772392 28.96902 
1 1 1   18   22    9 o  297.507   6.3594  306.559   13.094  321.999   19.280  293.340   17.840  304.768   9.1403  290.904   8.8609 13.86340 12.73031 
1 1 1   18   22   10 o  368.071   5.9598  469.280   15.182  467.488   21.939  470.927   21.032  367.171   8.6333  368.553   8.2452 -1.381195 11.93809 
1 1 1   18   22   11 o  291.451   6.5809  294.439   13.275  292.560   19.099  296.195   18.464  290.258   9.5071  292.095   9.1332 -1.836487 13.18331 
1 1 1   18   22   12 f  190.090   12.926  126.734   16.906  141.073   25.484  115.463   22.593  199.217   18.701  180.152   18.377 19.06427 26.21931 
1 1 1   18   22   13 o  290.479   13.782  295.951   27.708  295.951   27.708   0.0000   0.0000  290.479   13.782  ?   ?  0.000000 13.78214 
1 1 1   18   22   14 o  368.424   5.7746  471.176   14.725  501.694   22.270  447.470   19.627  379.494   8.4788  358.554   7.9091 20.94019 11.59499 
1 1 1   18   22   15 o   70.636   18.273   18.607   9.0007   17.230   13.622   19.674   11.992   69.927   23.661   72.796   21.966 -2.869583 32.28523 
1 1 1   18   22   16 o   98.282   14.390   35.118   9.4985   21.569   14.319   45.765   12.693   75.705   24.195  111.506   16.984 -35.80064 29.56104 
1 1 1   18   22   17 o  106.402   13.213   41.027   9.5210   53.772   14.509   31.387   12.618  119.924   18.039   90.066   20.678 29.85806 27.44091 
1 1 1   18   22   18 o  202.532   7.4607  143.848   10.458  140.269   15.330  146.965   14.303  198.062   11.229  203.574   10.152 -5.511993 15.13787 
1 1 1   18   22   19 o   83.252   21.738   28.554   12.661   28.554   12.661   0.0000   0.0000   83.252   21.738  ?   ?  0.000000 21.73793 
1 1 1   18   24    0 o  548.316   7.9364  1041.02   30.118  1041.02   30.118   0.0000   0.0000  548.316   7.9364  ?   ?  0.000000 7.936367 
1 1 1   18   24    1 o  614.811   6.6522  1308.61   28.307  1295.05   34.491  1336.58   49.541  611.554   8.1489  621.092   11.525 -9.538391 14.11465 
1 1 1   18   24    2 o  786.325   6.4803  2140.55   35.267  2082.42   48.764  2204.29   51.066  775.424   9.0863  797.781   9.2486 -22.35687 12.96520 
1 1 1   18   24    3 o  202.667   8.7285  142.248   12.243  135.003   15.295  155.171   20.427  197.068   11.261  211.080   14.063 -14.01128 18.01589 
1 1 1   18   24    4 o  229.700   9.8508  182.778   15.661   0.0000   0.0000  182.778   15.661  ?   ?   229.700   9.8508 0.000000 9.850760 
1 1 1   18   24    5 o  491.216   7.7850  835.626   26.467   0.0000   0.0000  835.626   26.467  ?   ?   491.216   7.7850 0.000000 7.784994 
1 1 1   18   24    6 o  654.475   6.8804  1483.27   31.166  1502.44   55.945  1474.65   37.529  658.216   12.280  652.471   8.3105 5.745239 14.82815 
1 1 1   18   24    7 o  298.535   7.0589  308.666   14.585  302.878   25.469  311.491   17.791  295.470   12.454  299.840   8.5731 -4.369873 15.11968 
1 1 1   18   24    8 o  171.533   9.4374  102.304   11.161  109.708   16.264   95.713   15.345  177.251   13.355  165.472   13.516 11.77913 19.00158 
1 1 1   18   24    9 o  495.499   5.6979  850.286   19.540  865.683   28.218  836.101   27.085  499.764   8.1581  491.169   7.9675 8.595428 11.40328 
1 1 1   18   24   10 o  413.548   5.7658  592.446   16.503  594.920   23.841  590.170   22.867  414.179   8.3169  412.555   8.0084 1.624420 11.54579 
1 1 1   18   24   11 o   82.693   21.051   25.037   12.079   5.5366   22.722   32.719   14.261   69.577   28.829   94.386   22.203 -24.80965 36.38765 
1 1 1   18   24   12 o   95.406   20.172   33.416   12.904   50.927   19.876   20.659   16.965  117.020   25.280   77.961   26.406 39.05860 36.55576 
1 1 1   18   24   13 o  108.144   12.923   41.554   9.4807   32.534   14.283   48.658   12.676   93.376   22.390  116.360   16.178 -22.98349 27.62302 
1 1 1   18   24   14 o   72.715   20.126   19.628   10.473   56.098   22.325   9.3386   11.858  120.792   27.341   57.797   21.773 62.99498 34.95127 
1 1 1   18   24   15 o   82.270   21.010   25.635   12.005   0.0000   0.0000   25.635   12.005  ?   ?    82.270   21.010 0.000000 21.00959 
1 1 1   18   24   16 f   46.061   18.484   4.2605   8.9857   4.0678   14.209   4.3889   11.600   54.333   22.679   50.649   20.751 3.683723 30.73976 
1 1 1   18   24   17 o   53.646   19.117   9.6256   8.9487   9.6616   13.856   9.5999   11.721   59.127   23.203   56.652   21.573 2.474522 31.68218 
1 1 1   18   24   18 o   77.234   16.901   22.872   8.7836   14.462   13.248   29.468   11.733   63.558   23.180   86.500   19.998 -22.94175 30.61435 
1 1 1   18   26    0 o  307.478   6.0651  327.291   12.907  329.938   18.281  324.660   18.226  308.664   8.5574  306.184   8.6005 2.479919 12.13254 
1 1 1   18   26    1 o  617.137   8.2834  1318.89   35.381  1318.89   35.381   0.0000   0.0000  617.137   8.2834  ?   ?  0.000000 8.283427 
1 1 1   18   26    2 o  874.220   7.9667  2646.51   48.203  2602.41   58.332  2741.46   85.596  866.767   9.7237  889.167   13.909 -22.40021 16.97076 
1 1 1   18   26    3 o   43.878   18.659  -0.0276   9.9076 -11.2250   14.483   9.8207   13.583   44.385   20.434   62.024   23.315 -17.63991 31.00214 
1 1 1   18   26    4 o   71.335   19.535   18.247   9.9284   26.937   14.124   9.7598   13.959   86.466   23.144   62.451   23.600 24.01480 33.05465 
1 1 1   18   26    5 o  299.075   6.2695  309.699   12.978  310.697   18.568  308.745   18.146  299.474   8.9583  298.538   8.7820 0.9359436 12.54492 
1 1 1   18   26    6 o  225.638   10.322  176.477   16.120   0.0000   0.0000  176.477   16.120  ?   ?   225.638   10.322 0.000000 10.32197 
1 1 1   18   26    7 o   61.739   20.544   12.566   10.270   6.4125   15.192   17.745   13.937   60.389   24.104   72.799   23.918 -12.41074 33.95695 
1 1 1   18   26    8 o  329.106   6.1187  375.115   13.937  367.393   20.064  382.315   19.374  325.556   8.9044  332.131   8.4283 -6.574707 12.26068 
1 1 1   18   26    9 o  230.742   7.6156  184.533   12.162  192.819   17.873  177.388   16.597  235.671   10.958  226.066   10.608 9.604141 15.25098 
1 1 1   18   26   10 o  344.239   6.0345  410.619   14.377  406.243   20.625  414.756   20.053  342.156   8.7094  345.758   8.3796 -3.601654 12.08596 
1 1 1   18   26   11 o  228.749   10.783  182.126   17.072  182.126   17.072   0.0000   0.0000  228.749   10.783  ?   ?  0.000000 10.78303 
1 1 1   18   26   12 o  201.900   8.8693  141.794   12.394  173.044   16.587  102.293   18.648  222.772   10.758  169.778   16.061 52.99361 19.33113 
1 1 1   18   26   13 o  138.587   9.8460   67.337   9.3826   82.243   14.529   56.674   12.288  152.313   13.937  126.116   14.333 26.19726 19.99183 
1 1 1   18   26   14 o  118.355   12.519   49.808   10.100   51.707   18.844   49.043   11.963  116.796   24.111  116.714   15.168 0.8218384E-01 28.48503 
1 1 1   18   26   15 o  150.186   9.3035   79.259   9.6229   76.092   14.900   81.524   12.604  145.383   15.025  151.536   12.119 -6.152542 19.30328 
1 1 1   18   26   16 f  121.593   13.036   53.182   10.800   64.049   22.200   49.813   12.361  127.144   26.102  116.648   15.711 10.49564 30.46539 
1 1 1   18   26   17 o  106.155   12.801   40.864   9.2153   30.142   14.306   48.469   12.048   86.873   23.309  114.544   15.603 -27.67091 28.04919 
1 1 1   18   26   18 o   44.238   18.206   3.5275   8.9780  -3.8979   12.695   10.956   12.698   43.689   19.730   58.402   22.403 -14.71292 29.85278 
1 1 1   18   28    0 o   98.119   17.970   34.480   11.753   35.623   14.483   32.273   20.116   99.293   21.682   95.521   28.366 3.772079 35.70321 
1 1 1   18   28    1 o  720.164   7.2301  1795.82   36.038  1789.23   43.999  1809.27   62.814  718.735   8.8450  722.427   12.563 -3.691711 15.36416 
1 1 1   18   28    2 o  310.185   6.4770  333.121   13.905  315.847   19.426  351.272   19.913  301.957   9.2950  318.450   9.0348 -16.49289 12.96248 
1 1 1   18   28    3 o  516.038   5.7110  921.908   20.397  891.120   28.788  952.948   28.905  507.238   8.2001  524.552   7.9616 -17.31415 11.42929 
1 1 1   18   28    4 o  715.037   6.2477  1770.25   30.919  1724.59   43.106  1818.63   44.373  705.568   8.8272  724.548   8.8487 -18.97974 12.49876 
1 1 1   18   28    5 o  505.975   6.5478  886.521   22.930  863.903   39.274  898.218   28.243  499.151   11.368  509.220   8.0137 -10.06845 13.90885 
1 1 1   18   28    6 o  264.408   8.0646  242.205   14.758  236.976   27.150  244.398   17.583  260.739   15.110  265.542   9.5670 -4.802521 17.88386 
1 1 1   18   28    7 f  550.369   5.8129  1048.93   22.143  1025.42   31.387  1072.23   31.242  543.971   8.3369  556.270   8.1147 -12.29901 11.63406 
1 1 1   18   28    8 o   94.619   17.033   32.136   10.744   49.619   15.775   17.008   14.674  117.569   20.109   72.284   24.558 45.28527 31.74039 
1 1 1   18   28    9 o  404.200   5.7710  565.966   16.144  570.145   23.429  562.187   22.277  405.460   8.3491  402.657   7.9938 2.803284 11.55885 
1 1 1   18   28   10 o  265.039   7.5690  243.677   13.884  243.413   18.723  244.000   20.696  264.632   10.222  264.823   11.292 -0.1908875 15.23144 
1 1 1   18   28   11 o  250.974   6.5585  218.503   11.392  222.906   16.803  214.756   15.498  253.141   9.5904  248.546   9.0095 4.595734 13.15850 
1 1 1   18   28   12 o  287.366   6.0526  286.530   12.038  317.047   18.281  263.166   15.995  301.846   8.7506  275.063   8.4021 26.78320 12.13132 
1 1 1   18   28   13 o   82.069   18.365   24.925   10.171   22.473   19.795   25.805   11.856   81.037   28.479   83.142   20.687 -2.105110 35.19957 
1 1 1   18   28   14 o   33.979   15.640  -6.0400   8.4766  -4.3120   12.456  -7.5305   11.568   44.318   19.816   40.000   18.359 4.318436 27.01355 
1 1 1   18   28   15 o   53.675   18.975   9.4264   8.7993   7.8383   13.258   10.677   11.764   57.167   22.612   58.862   21.781 -1.694843 31.39639 
1 1 1   18   28   16 o  104.509   12.082   39.265   8.5778   35.302   12.727   42.563   11.611   96.162   19.783  107.391   16.119 -11.22908 25.51878 
1 1 1   18   28   17 o  110.060   12.474   43.878   9.3343   54.820   13.359   33.439   13.048  121.388   16.314   92.300   20.910 29.08849 26.52090 
1 1 1   18   28   18 o   97.873   14.475   35.778   9.5097   66.098   19.520   26.343   10.889  127.576   22.951   81.374   19.574 46.20288 30.16426 
1 1 1   18   30    0 o  401.932   11.616  560.000   32.314  560.000   32.314   0.0000   0.0000  401.932   11.616  ?   ?  0.000000 11.61603 
1 1 1   18   30    1 o  734.941   7.3599  1870.48   37.437  1723.90   61.191  1958.16   47.328  705.095   12.539  751.832   9.0953 -46.73773 15.49043 
1 1 1   18   30    2 o  279.723   8.0203  271.004   15.527  264.560   19.178  283.268   26.456  276.311   10.028  285.765   13.376 -9.454132 16.71805 
1 1 1   18   30    3 o   77.865   20.159   21.891   10.949   31.838   16.196   13.517   14.860   93.822   24.629   68.160   24.596 25.66230 34.80775 
1 1 1   18   30    4 o  585.263   5.9210  1186.00   23.984  1128.78   33.207  1248.40   34.678  570.815   8.4053  600.303   8.3465 -29.48846 11.84541 
1 1 1   18   30    5 o  523.049   5.8902  947.303   21.323  896.858   30.063  998.371   30.248  508.766   8.5377  536.818   8.1414 -28.05167 11.79724 
1 1 1   18   30    6 o  500.026   6.6783  865.977   23.112  907.805   41.776  847.528   27.745  511.492   11.801  494.570   8.1054 16.92224 14.31622 
1 1 1   18   30    7 o  303.208   6.6697  318.469   13.997  294.845   20.245  340.101   19.372  291.560   10.033  313.211   8.9365 -21.65140 13.43561 
1 1 1   18   30    8 f  224.721   7.7893  175.053   12.115  184.650   17.970  167.057   16.403  230.585   11.260  219.356   10.804 11.22862 15.60520 
1 1 1   18   30    9 o   32.478   15.428 -11.6969   9.4055 -15.1020   14.545  -9.2498   12.330   41.913   19.688   40.984   18.863 0.9291992 27.26630 
1 1 1   18   30   10 o  279.231   6.4007  270.364   12.370  296.005   18.522  249.719   16.620  291.863   9.1692  268.100   8.9569 23.76328 12.81793 
1 1 1   18   30   11 o   86.508   15.958   27.114   9.2025   34.315   14.188   21.884   12.091   96.318   21.792   77.266   21.710 19.05182 30.76081 
1 1 1   18   30   12 o  242.596   6.5149  204.358   10.939  209.170   16.378  200.483   14.698  244.936   9.6609  239.940   8.8507 4.996338 13.10221 
1 1 1   18   30   13 o  129.524   11.847   59.345   10.503   57.926   13.921   61.220   16.002  126.758   16.241  129.684   18.339 -2.925316 24.49703 
1 1 1   18   30   14 o  216.533   6.9257  163.231   10.379  183.172   15.320  146.314   14.111  228.729   9.6777  204.350   9.9771 24.37842 13.89964 
1 1 1   18   30   15 o   72.812   17.289   19.920   8.5827   25.225   13.002   15.823   11.426   80.910   22.436   65.930   21.656 14.97983 31.18245 
1 1 1   18   30   16 o   82.603   15.639   25.436   8.6137   11.738   13.171   35.673   11.386   60.989   22.952   97.428   17.530 -36.43853 28.88098 
1 1 1   18   30   17 o  165.539   7.8671   96.251   9.0135   96.341   13.161   96.171   12.369  163.792   11.687  164.003   10.960 -0.2113495 16.02212 
1 1 1   18   32    0 o  202.155   8.3595  141.564   11.696  118.732   22.426  150.095   13.708  183.958   17.838  208.126   9.5164 -24.16872 20.21786 
1 1 1   18   32    1 f  290.339   7.5761  291.959   15.224   0.0000   0.0000  291.959   15.224  ?   ?   290.339   7.5761 0.000000 7.576111 
1 1 1   18   32    2 o  209.399   9.1504  151.931   13.261  137.219   24.377  158.115   15.805  197.839   18.000  213.298   10.740 -15.45888 20.96066 
1 1 1   18   32    3 o  329.930   6.5702  376.956   15.003  358.369   21.295  395.273   21.140  321.568   9.5684  337.746   9.0435 -16.17798 13.16582 
1 1 1   18   32    4 o  380.927   7.0730  502.585   18.648  443.268   31.872  533.457   22.994  357.383   12.885  392.379   8.4670 -34.99640 15.41837 
1 1 1   18   32    5 o  440.197   5.9698  671.025   18.188  641.914   25.739  700.056   25.704  430.380   8.6411  449.477   8.2626 -19.09644 11.95570 
1 1 1   18   32    6 f  433.237   6.0287  650.050   18.077  612.222   25.433  688.674   25.699  420.256   8.7439  445.759   8.3299 -25.50290 12.07654 
1 1 1   18   32    7 o   86.720   21.201   27.374   12.618   38.502   23.221   22.712   15.031  103.301   30.425   80.314   24.666 22.98772 39.16777 
1 1 1   18   32    8 o  283.239   6.7486  278.048   13.229  301.759   19.575  258.113   17.949  294.838   9.5927  272.690   9.5103 22.14752 13.50800 
1 1 1   18   32    9 o  242.456   7.0540  203.876   11.837  218.021   17.543  192.054   16.038  250.436   10.121  235.076   9.8577 15.35953 14.12834 
1 1 1   18   32   10 o  117.979   11.730   49.011   9.4508   54.424   14.928   45.391   12.209  123.038   18.069  112.609   16.125 10.42883 24.21786 
1 1 1   18   32   11 o  153.823   9.1838   82.663   9.7327   80.450   14.692   84.393   12.992  150.742   14.251  154.874   12.220 -4.132538 18.77317 
1 1 1   18   32   12 o  294.553   6.6002  301.407   13.455  315.073   24.067  295.193   16.229  299.951   11.593  291.226   8.0514 8.725128 14.11454 
1 1 1   18   32   13 o   54.778   18.835   9.9937   8.6361   16.302   13.071   5.1061   11.505   68.401   23.178   51.871   20.880 16.53028 31.19597 
1 1 1   18   32   14 o  244.152   8.7636  208.444   14.809   0.0000   0.0000  208.444   14.809  ?   ?   244.152   8.7636 0.000000 8.763605 
1 1 1   18   32   15 o   48.670   18.034   7.0721   8.0698   15.995   11.811  -0.7396   11.051   66.213   22.032   44.236   19.264 21.97709 29.26590 
1 1 1   18   32   16 o  155.032   8.5086   84.667   9.0948   81.889   13.777   86.813   12.108  150.537   13.362  155.958   11.294 -5.420822 17.49548 
1 1 1   18   32   17 o  122.245   9.9963   53.391   8.3836   56.352   11.873   50.447   11.839  123.747   14.116  116.554   15.026 7.192772 20.61668 
1 1 1   18   34    0 o  158.616   10.211   87.573   11.150  111.219   23.157   80.437   12.721  177.734   19.126  151.786   12.213 25.94716 22.69308 
1 1 1   18   34    1 o  251.057   8.3384  218.370   14.489  197.024   25.147  228.978   17.727  237.652   15.371  257.019   9.9653 -19.36705 18.31874 
1 1 1   18   34    2 o  312.965   6.5551  339.203   14.199  294.976   29.875  352.108   16.138  291.025   14.882  318.834   7.3132 -27.80859 16.58182 
1 1 1   18   34    3 o  484.212   7.9497  812.306   26.642   0.0000   0.0000  812.306   26.642  ?   ?   484.212   7.9497 0.000000 7.949729 
1 1 1   18   34    4 o   99.238   17.898   35.334   11.841   26.327   17.286   43.297   16.253   86.489   26.434  109.383   22.227 -22.89401 34.53659 
1 1 1   18   34    5 o  653.367   8.8498  1479.86   40.019  1479.86   40.019   0.0000   0.0000  653.367   8.8498  ?   ?  0.000000 8.849806 
1 1 1   18   34    6 o  162.481   10.801   92.038   12.077   83.984   17.124  100.009   17.037  154.416   16.267  168.891   14.722 -14.47560 21.93966 
1 1 1   18   34    7 o  354.148   7.1301  434.734   17.477  428.000   30.990  437.874   21.163  350.766   12.765  355.293   8.6063 -4.526825 15.39543 
1 1 1   18   34    8 o   47.720   20.546  -0.8698   12.287   23.502   15.999 -35.9122   19.184   81.549   25.515   41.319   20.201 40.22993 32.54392 
1 1 1   18   34    9 o  141.738   14.079   70.907   13.629   0.0000   0.0000   70.907   13.629  ?   ?   141.738   14.079 0.000000 14.07921 
1 1 1   18   34   10 o  137.791   10.096   66.484   9.5616   65.843   14.644   66.961   12.624  135.959   15.860  137.673   13.419 -1.714401 20.77569 
1 1 1   18   34   11 o  189.458   8.4582  124.926   11.091  126.341   19.650  124.264   13.436  188.768   15.169  188.414   10.343 0.3536835 18.35911 
1 1 1   18   34   12 o  329.065   5.5636  375.866   12.671  384.604   18.351  367.905   17.517  332.335   7.9783  325.089   7.7856 7.246582 11.14759 
1 1 1   18   34   13 o   88.977   14.342   28.730   8.5317   21.090   12.710   34.995   11.510   75.146   22.600   97.370   17.733 -22.22408 28.72694 
1 1 1   18   34   14 o  247.040   7.0989  212.775   12.138  213.771   15.859  211.366   18.859  246.970   9.2780  244.900   11.126 2.069229 14.48698 
1 1 1   18   34   15 o   33.955   15.608  -5.5121   8.4036  -2.6763   11.562  -8.6878   12.235   43.353   19.257   40.081   18.569 3.271812 26.75163 
1 1 1   18   34   16 o  187.505   7.1326  123.055   9.2563  126.013   13.502  120.432   12.715  188.288   10.401  184.240   10.009 4.048462 14.43436 
1 1 1   18   34   17 o  148.733   8.6482   78.439   8.8640   79.301   13.154   77.722   11.997  147.344   13.033  146.477   11.937 0.8669128 17.67411 
1 1 1   18   36    0 o  218.242   8.0589  165.026   12.173  174.537   24.960  162.058   13.943  223.442   16.251  216.226   9.3172 7.216263 18.73273 
1 1 1   18   36    1 o  156.786   10.718   85.650   11.561   63.610   23.274   92.868   13.320  132.449   26.317  163.169   11.876 -30.71992 28.87264 
1 1 1   18   36    2 o  497.773   6.7094  858.220   23.115   0.0000   0.0000  858.220   23.115  ?   ?   497.773   6.7094 0.000000 6.709375 
1 1 1   18   36    3 f  312.168   7.4973  337.632   16.198  311.122   30.251  348.289   19.180  299.164   14.610  316.989   8.7422 -17.82523 17.02589 
1 1 1   18   36    4 o  487.505   5.8540  823.101   19.752  784.390   40.861  834.904   22.563  475.239   12.423  490.932   6.6405 -15.69342 14.08634 
1 1 1   18   36    5 f  160.340   10.215   89.574   11.277   96.293   25.554   87.949   12.567  164.100   23.142  158.726   11.518 5.374634 25.85001 
1 1 1   18   36    6 o  218.215   8.5241  165.167   12.874  167.183   18.556  163.295   17.876  218.930   12.296  216.405   11.982 2.524811 17.16847 
1 1 1   18   36    7 o  156.175   15.263   85.968   16.287  109.024   24.018   66.341   22.159  174.991   20.202  134.884   24.645 40.10732 31.86695 
1 1 1   18   36    8 o   93.281   20.843   31.920   13.118   5.9507   16.120   82.829   22.570   60.753   24.624  151.408   22.197 -90.65504 33.15205 
1 1 1   18   36    9 o  174.162   8.9837  105.755   10.792  110.923   15.857  101.297   14.730  177.673   12.985  169.820   12.622 7.852356 18.10906 
1 1 1   18   36   10 o  259.402   7.3200  233.778   13.142  241.512   24.490  230.651   15.574  262.077   13.548  257.446   8.7406 4.630951 16.12290 
1 1 1   18   36   11 o  194.662   7.4400  131.783   10.024  140.101   14.820  124.768   13.609  199.895   10.751  188.674   10.463 11.22118 15.00196 
1 1 1   18   36   12 o  326.012   5.6965  369.102   12.853  360.291   19.131  376.352   17.353  321.373   8.6011  328.739   7.6271 -7.366150 11.49567 
1 1 1   18   36   13 o   68.811   17.572   17.692   8.3982   18.468   12.437   17.041   11.386   70.835   22.539   68.169   21.553 2.666191 31.18582 
1 1 1   18   36   14 o   45.567   18.316   4.1051   8.8383   6.8932   11.757   0.4824   13.402   53.782   21.287   49.673   21.422 4.109230 30.20036 
1 1 1   18   36   15 f   47.334   17.790   6.5291   7.9080   20.253   12.077  -3.7724   10.463   72.416   22.087   40.072   18.021 32.34470 28.50592 
1 1 1   18   36   16 o   38.281   17.170  -2.9747   9.4293  -3.8103   10.647   0.0653   20.307   40.100   18.093   57.836   25.614 -17.73626 31.35947 
1 1 1   18   38    0 o  417.496   6.8501  603.814   19.794  594.146   34.162  608.699   24.286  413.702   11.931  419.073   8.3730 -5.370972 14.57598 
1 1 1   18   38    1 o  609.094   8.4288  1285.92   35.532   0.0000   0.0000  1285.92   35.532  ?   ?   609.094   8.4288 0.000000 8.428750 
1 1 1   18   38    2 o  439.504   12.000  670.732   36.504  670.732   36.504   0.0000   0.0000  439.504   12.000  ?   ?  0.000000 12.00043 
1 1 1   18   38    3 o  197.070   8.9157  134.669   12.161   95.024   27.581  144.236   13.549  162.546   25.343  203.917   9.5999 -41.37073 27.09992 
1 1 1   18   38    4 o  343.388   13.264  410.098   31.523  410.098   31.523   0.0000   0.0000  343.388   13.264  ?   ?  0.000000 13.26386 
1 1 1   18   38    5 o  422.289   5.9034  617.830   17.254  566.341   34.982  634.383   19.835  403.496   12.526  427.838   6.6983 -24.34250 14.20481 
1 1 1   18   38    6 o   93.102   17.924   31.371   11.131   36.741   23.024   29.733   12.715  100.654   30.451   90.170   20.799 10.48463 36.87607 
1 1 1   18   38    7 o  144.611   10.737   73.163   10.670   67.610   23.755   74.566   11.942  135.428   26.292  145.816   11.938 -10.38762 28.87535 
1 1 1   18   38    8 o  294.655   6.6042  301.209   13.468  299.162   19.541  303.061   18.589  293.237   9.6282  295.227   9.0973 -1.989227 13.24629 
1 1 1   18   38    9 o   73.039   19.248   19.613   9.8668   11.653   15.199   25.410   12.971   65.231   24.632   82.847   22.181 -17.61639 33.14739 
1 1 1   18   38   10 o   65.949   19.023   15.869   9.1623   14.146   14.001   17.159   12.117   66.735   23.899   69.499   22.262 -2.763557 32.66088 
1 1 1   18   38   11 o  242.551   6.4824  204.445   10.882  214.201   16.218  196.457   14.676  247.684   9.4608  237.317   8.9354 10.36662 13.01336 
1 1 1   18   38   12 o   68.569   17.945   17.515   8.6150   17.878   13.263   17.249   11.331   70.579   23.340   68.657   21.471 1.921753 31.71335 
1 1 1   18   38   13 o   63.678   18.024   15.114   8.3021   38.105   12.373  -3.7159   11.197  101.119   18.355   42.021   18.789 59.09866 26.26617 
1 1 1   18   38   14 o   41.578   18.184  -1.1185   9.9402  -2.4606   11.633   2.5132   19.136   43.724   19.374   59.463   25.621 -15.73924 32.12150 
1 1 1   18   38   15 o  153.180   10.390   83.435   10.950   72.100   12.517  120.390   22.602  141.294   12.944  179.321   18.476 -38.02664 22.55892 
1 1 1   18   38   16 o   89.441   13.670   29.631   8.1938   9.0585   15.072   38.261   9.7624   58.677   23.801  101.572   14.281 -42.89497 27.75674 
1 1 1   18   40    0 o  150.393   17.613   79.983   17.986   0.0000   0.0000   79.983   17.986  ?   ?   150.393   17.613 0.000000 17.61316 
1 1 1   18   40    1 o  127.184   12.799   56.793   11.113   89.463   22.971   46.809   12.698  158.378   21.513  114.729   16.463 43.64829 27.08944 
1 1 1   18   40    2 o  294.678   6.8346  300.910   13.939  223.171   27.250  328.461   16.222  252.564   15.666  307.822   7.6144 -55.25771 17.41881 
1 1 1   18   40    3 o  125.768   13.375   55.662   11.464   43.551   26.047   58.572   12.767  109.354   32.228  128.855   14.572 -19.50183 35.36895 
1 1 1   18   40    4 o  342.563   7.1081  406.833   16.853  415.171   32.211  403.690   19.775  345.245   13.481  341.118   8.3761 4.126984 15.87085 
1 1 1   18   40    5 o   70.360   21.329   17.580   11.288   10.873   23.444   19.604   12.878   74.844   29.920   74.370   22.830 0.4737167 37.63525 
1 1 1   18   40    6 o  346.478   7.5103  416.567   18.010  357.463   29.761  450.719   22.622  319.997   13.438  360.174   9.0751 -40.17661 16.21493 
1 1 1   18   40    7 o  321.428   9.4287  359.345   20.975  371.902   28.806  345.171   30.604  326.314   12.755  314.053   14.080 12.26147 18.99774 
1 1 1   18   40    8 o   34.885   16.805 -18.0276   12.048 -50.0976   21.218  -2.7684   14.636   40.044   19.886   50.209   22.008 -10.16463 29.66171 
1 1 1   18   40    9 o  184.764   7.5843  118.674   9.6986   67.366   23.448  129.265   10.653  133.904   26.239  192.784   7.9838 -58.87952 27.42642 
1 1 1   18   40   10 o  126.487   11.142   56.429   9.6544   60.774   14.515   52.982   12.929  129.904   16.518  121.382   15.762 8.522186 22.83145 
1 1 1   18   40   11 o   70.208   18.226   18.340   8.9342   22.393   13.796   15.413   11.725   77.535   23.597   66.134   21.948 11.40141 32.22645 
1 1 1   18   40   12 o  114.497   11.546   46.618   9.0247   45.391   13.326   47.657   12.266  110.919   17.973  114.444   15.916 -3.524788 24.00759 
1 1 1   18   40   13 o  120.509   13.182   52.218   10.816   63.853   12.981   25.805   19.558  132.963   14.332   82.508   28.347 50.45474 31.76418 
1 1 1   18   40   14 o   32.402   15.020  -6.1511   8.0225  -0.1460   11.928 -11.1119   10.841   46.207   20.068   35.488   16.770 10.71927 26.15246 
1 1 1   18   40   15 o  177.405   7.9485  110.538   9.7595  112.488   16.926  109.567   11.945  175.771   14.030  175.671   9.8646 0.1002502 17.15075 
1 1 1   18   42    0 o  139.276   12.397   68.012   11.825   52.488   23.931   73.026   13.601  119.098   29.246  144.143   13.802 -25.04534 32.33930 
1 1 1   18   42    1 o  193.827   11.262  131.030   15.043  142.976   24.604  123.898   19.010  201.365   17.838  187.930   14.733 13.43585 23.13613 
1 1 1   18   42    2 o  176.327   9.8792  108.321   12.008  105.073   24.386  109.360   13.796  171.636   20.964  176.989   11.322 -5.353119 23.82579 
1 1 1   18   42    3 o   76.671   20.268   21.418   10.918   10.288   23.502   24.482   12.329   74.459   29.889   81.866   21.488 -7.407402 36.81152 
1 1 1   18   42    4 o  129.793   15.751   59.780   13.860   0.0000   0.0000   59.780   13.860  ?   ?   129.793   15.751 0.000000 15.75126 
1 1 1   18   42    5 o  361.742   6.9262  453.945   17.341  394.293   31.078  480.914   20.896  336.027   13.363  372.165   8.1125 -36.13763 15.63262 
1 1 1   18   42    6 o   87.807   17.369   28.057   10.182   7.5122   22.033   33.636   11.481   69.876   28.611   96.231   17.897 -26.35492 33.74728 
1 1 1   18   42    7 o  113.771   12.828   45.838   9.9245   63.902   23.162   41.775   10.984  130.756   26.502  108.058   15.099 22.69779 30.50105 
1 1 1   18   42    8 o  107.382   20.628   42.477   14.774   0.0000   0.0000   42.477   14.774  ?   ?   107.382   20.628 0.000000 20.62831 
1 1 1   18   42    9 o  179.420   7.6739  111.994   9.5293  127.707   21.558  108.178   10.624  189.074   16.644  176.202   8.7112 12.87206 18.78584 
1 1 1   18   42   10 o  170.030   7.6046  100.660   8.9491   95.317   21.094  101.832   9.8826  161.829   19.209  170.910   8.3546 -9.080597 20.94692 
1 1 1   18   42   11 o   92.807   12.115   30.836   7.5961   36.259   20.543   29.978   8.1756   96.296   28.681   91.163   13.353 5.132347 31.63750 
1 1 1   18   42   12 o   99.366   11.291   35.237   7.6270   55.902   18.520   31.016   8.3697  120.825   22.987   92.546   13.462 28.27857 26.63855 
1 1 1   18   42   13 o   49.619   19.828   5.4337   10.291  -8.5413   12.079   42.434   19.655   39.901   18.473  102.303   27.265 -62.40218 32.93364 
1 1 1   18   42   14 o   48.167   17.602   7.3152   7.6443   2.6944   11.304   11.209   10.377   47.762   20.100   57.370   20.571 -9.608849 28.76094 
1 1 1   18   42   15 o   37.552   15.884   1.1634   7.1168  -0.5469   10.178   2.7996   9.9551   41.997   18.382   45.126   18.920 -3.128853 26.37969 
1 1 1   18   44    0 o  374.744   6.9620  487.013   18.057  472.293   31.526  494.199   22.028  368.193   12.371  377.311   8.4353 -9.117584 14.97341 
1 1 1   18   44    1 o  194.535   11.315  132.151   15.169  127.122   24.591  135.239   19.272  189.225   19.035  196.286   14.284 -7.060913 23.79850 
1 1 1   18   44    2 o   99.308   16.568   35.461   10.986  -2.7512   21.737   48.571   12.732   62.057   27.021  116.683   16.203 -54.62600 31.50680 
1 1 1   18   44    3 o  170.825   9.9471  101.824   11.710   87.659   25.088  105.769   13.240  155.234   24.134  173.948   11.055 -18.71416 26.54579 
1 1 1   18   44    4 o  325.792   7.4260  368.416   16.744  432.537   32.677  345.584   19.499  351.809   13.420  315.323   8.9347 36.48563 16.12237 
1 1 1   18   44    5 o  228.243   8.5580  181.078   13.519  170.293   25.783  185.167   15.877  219.262   17.126  230.628   9.9465 -11.36584 19.80478 
1 1 1   18   44    6 o  140.762   11.082   69.557   10.709  110.585   24.154   59.517   11.948  175.258   20.288  129.666   13.512 45.59203 24.37581 
1 1 1   18   44    7 f  105.024   15.382   39.641   10.850   0.0000   0.0000   39.641   10.850  ?   ?   105.024   15.382 0.000000 15.38232 
1 1 1   18   44    8 o  166.549   8.5787   96.870   9.8552   89.561   22.227   98.658   10.995  156.598   21.040  167.913   9.4999 -11.31563 23.08545 
1 1 1   18   44    9 o  186.517   7.6232  121.106   9.8408   91.902   22.041  128.376   10.998  158.409   20.591  191.932   8.2791 -33.52310 22.19283 
1 1 1   18   44   10 o   94.756   12.483   32.162   7.9871   20.180   19.142   34.687   8.7887   77.246   27.910   98.260   13.262 -21.01386 30.90087 
1 1 1   18   44   11 o   51.305   17.698   8.7959   7.6272 -14.2439   17.641   14.093   8.4587   47.004   21.951   61.815   18.402 -14.81080 28.64430 
1 1 1   18   44   12 o   44.167   18.646   1.5539   9.7766   22.805   18.701  -6.4387   11.469   78.605   27.676   40.245   18.400 38.36012 33.23469 
1 1 1   18   44   13 o   84.410   23.230   28.182   13.999   22.937   18.600   35.034   21.260   77.847   27.581   92.160   29.484 -14.31310 40.37340 
1 1 1   18   44   14 o   64.336   15.636   15.712   6.8941   0.0000   0.0000   15.712   6.8941  ?   ?    64.336   15.636 0.000000 15.63576 
1 1 1   18   46    0 o  288.072   6.9879  287.934   13.932  250.585   27.147  301.290   16.233  267.139   14.740  294.562   7.9626 -27.42276 16.75283 
1 1 1   18   46    1 o  256.493   7.3786  228.346   13.099  194.488   25.631  240.316   15.239  234.941   15.855  263.017   8.3714 -28.07616 17.92956 
1 1 1   18   46    2 o  213.095   10.330  158.096   15.236  145.268   24.249  166.464   19.584  202.421   17.480  217.892   13.046 -15.47174 21.81161 
1 1 1   18   46    3 f   50.727   20.881   3.1515   11.814 -23.9512   21.762   14.476   14.067   50.097   23.700   67.659   23.984 -17.56210 33.71808 
1 1 1   18   46    4 o   52.454   20.353   6.3909   10.569   3.8902   22.795   7.0757   11.928   67.805   28.540   55.460   21.593 12.34547 35.78826 
1 1 1   18   46    5 o  149.280   26.271   82.927   26.152   0.0000   0.0000   82.927   26.152  ?   ?   149.280   26.271 0.000000 26.27096 
1 1 1   18   46    6 o  114.382   15.061   46.836   11.633   0.0000   0.0000   46.836   11.633  ?   ?   114.382   15.061 0.000000 15.06139 
1 1 1   18   46    7 o   72.216   18.982   19.297   9.6126   2.8229   20.484   23.950   10.886   63.348   26.880   80.265   19.734 -16.91713 33.34575 
1 1 1   18   46    8 o   62.032   19.125   13.861   9.0262   22.200   20.224   11.787   10.087   80.726   28.742   59.299   20.358 21.42675 35.22161 
1 1 1   18   46    9 o  211.214   9.0266  155.843   13.195  115.415   22.822  176.146   16.173  178.137   18.794  224.201   10.423 -46.06339 21.49051 
1 1 1   18   46   10 o   50.803   18.310   8.0656   8.2313   6.1854   19.280   8.4847   9.1025   63.464   26.447   52.619   19.210 10.84496 32.68785 
1 1 1   18   46   11 o  144.186   8.1650   72.921   8.1146  103.902   20.508   67.170   8.8357  168.307   17.880  138.087   9.2992 30.21976 20.15325 
1 1 1   18   46   12 o   88.663   11.828   28.352   7.0770   29.493   20.866   28.204   7.5229   86.267   29.284   88.162   12.695 -1.895317 31.91741 
1 1 1   18   46   13 o   44.740   16.760   5.8720   7.0068   0.0000   0.0000   5.8720   7.0068  ?   ?    44.740   16.760 0.000000 16.75953 
1 1 1   18   46   14 o  105.790   9.4803   39.949   6.8678   29.815   18.637   41.541   7.3877   83.860   27.664  107.703   10.026 -23.84254 29.42440 
1 1 1   18   48    0 o  175.602   10.065  107.751   12.182   98.049   25.236  110.699   13.910  164.187   22.825  177.762   11.365 -13.57556 25.49795 
1 1 1   18   48    1 o  144.790   11.583   73.639   11.510   81.659   22.501   70.796   13.396  149.695   22.407  141.495   13.857 8.199615 26.34543 
1 1 1   18   48    2 o  183.120   11.050  117.416   13.939  147.854   23.861  101.645   17.175  204.034   17.053  169.519   14.787 34.51486 22.57106 
1 1 1   18   48    3 o   38.314   17.609  -7.5884   10.692 -12.9512   21.980  -5.9260   12.238   55.666   25.459   42.978   19.394 12.68833 32.00472 
1 1 1   18   48    4 o  133.096   12.301   62.519   11.203   67.220   24.815   61.316   12.556  133.320   27.794  131.416   14.021 1.904526 31.12975 
1 1 1   18   48    5 o  234.714   9.8905  192.196   16.067   0.0000   0.0000  192.196   16.067  ?   ?   234.714   9.8905 0.000000 9.890499 
1 1 1   18   48    6 o  308.940   7.3438  331.923   15.703  368.488   31.592  319.925   18.097  323.376   14.115  303.022   8.6287 20.35431 16.54369 
1 1 1   18   48    7 o   53.520   19.698   8.4432   9.5986 -21.2585   19.538   17.893   11.020   47.134   22.344   69.859   21.052 -22.72452 30.69959 
1 1 1   18   48    8 o  114.986   12.332   47.060   9.6607   36.766   19.774   50.288   11.072   97.317   27.910  118.518   13.753 -21.20059 31.11469 
1 1 1   18   48    9 o   94.125   18.752   33.073   11.787   20.527   20.273   39.481   14.488   78.012   28.640  102.184   21.181 -24.17172 35.62141 
1 1 1   18   48   10 f   65.535   17.372   16.091   8.0070   15.541   19.913   16.197   8.7452   72.143   27.952   65.743   18.461 6.399269 33.49790 
1 1 1   18   48   11 o  125.902   9.1247   55.932   7.8971   61.512   20.351   54.943   8.5685  125.372   24.332  124.530   10.026 0.8418655 26.31647 
1 1 1   18   48   12 o   93.857   12.553   31.962   7.9502   0.0000   0.0000   31.962   7.9502  ?   ?    93.857   12.553 0.000000 12.55318 
1 1 1   18   48   13 o   70.630   14.469   18.728   6.8354   27.893   20.347   17.562   7.2572   82.312   28.877   67.961   15.739 14.35125 32.88703 
1 1 1   18   50    0 o   68.589   21.735   16.706   11.574   31.429   20.484   9.8002   14.028   92.269   28.871   61.512   23.559 30.75713 37.26299 
1 1 1   18   50    1 o  332.434   7.3879  384.046   16.998  353.902   28.848  400.078   21.038  317.689   13.120  338.965   8.9675 -21.27621 15.89205 
1 1 1   18   50    2 o  278.644   6.9708  269.727   13.443  219.415   26.585  287.011   15.582  248.976   15.505  287.287   7.8368 -38.31143 17.37293 
1 1 1   18   50    3 o   58.245   23.010   7.4325   13.713  -4.3088   20.936   16.254   18.147   59.040   26.084   73.143   27.055 -14.10205 37.58170 
1 1 1   18   50    4 o  244.192   7.7467  207.454   13.093  224.000   28.355  202.971   14.760  250.929   16.418  241.346   8.8364 9.583313 18.64447 
1 1 1   18   50    5 o  104.498   15.140   39.364   10.631  -9.9463   23.318   52.303   11.945   58.779   26.625  120.893   14.569 -62.11385 30.35022 
1 1 1   18   50    6 f  195.285   8.6615  133.017   11.707  137.366   24.325  131.706   13.355  195.086   18.227  193.820   9.9897 1.265594 20.78474 
1 1 1   18   50    7 o  142.570   10.786   71.687   10.564   47.795   21.627   79.173   12.106  110.449   28.195  149.603   11.788 -39.15413 30.56007 
1 1 1   18   50    8 o  117.417   12.492   49.200   9.9959   29.112   21.280   54.888   11.323   87.815   29.574  123.807   13.429 -35.99232 32.48054 
1 1 1   18   50    9 o  177.304   10.518  110.950   12.850  122.683   22.637  105.372   15.608  183.110   18.099  171.803   13.228 11.30716 22.41750 
1 1 1   18   50   10 o   48.598   17.900   7.1591   7.9281   16.390   20.870   5.6023   8.5706   73.192   28.545   47.150   18.319 26.04221 33.91705 
1 1 1   18   50   11 o   29.852   14.026  -7.2145   7.3895 -26.9659   20.989  -4.4200   7.8949   45.825   22.101   33.589   15.322 12.23659 26.89272 
1 1 1   18   50   12 o  111.379   9.9486   44.232   7.5884   15.122   19.904   49.183   8.2083   69.592   27.649  117.403   10.203 -47.81090 29.47149 
1 1 1   18   52    0 o   81.075   21.489   24.519   12.253   19.532   20.879   27.138   15.132   78.771   29.043   85.171   24.412 -6.399521 37.94010 
1 1 1   18   52    1 o  359.577   6.3581  449.068   15.823  382.829   30.538  473.379   18.501  329.955   13.372  368.983   7.2444 -39.02722 15.20850 
1 1 1   18   52    2 o  137.262   11.876   66.526   11.172   84.585   22.064   60.300   12.955  151.770   21.616  129.940   14.661 21.83038 26.11880 
1 1 1   18   52    3 o   29.113   14.408 -24.3024   10.783 -29.1415   19.649 -22.2167   12.900   44.035   21.274   34.531   16.813 9.503490 27.11548 
1 1 1   18   52    4 o  176.221   9.7620  108.842   11.860   80.488   24.179  117.825   13.609  146.307   24.761  183.119   10.786 -36.81203 27.00818 
1 1 1   18   52    5 o  151.040   10.916   80.388   11.335   95.512   24.653   76.334   12.764  160.219   22.882  146.695   12.697 13.52481 26.16878 
1 1 1   18   52    6 o   34.127   16.156 -11.3528   10.147 -25.4829   22.388  -7.7000   11.383   49.496   23.594   39.437   18.141 10.05922 29.76193 
1 1 1   18   52    7 o   56.975   22.212   8.2459   12.634   0.0000   0.0000   8.2459   12.634  ?   ?    56.975   22.212 0.000000 22.21206 
1 1 1   18   52    8 o  190.781   17.214  132.439   22.486  132.439   22.486   0.0000   0.0000  190.781   17.214  ?   ?  0.000000 17.21445 
1 1 1   18   52    9 o   80.024   16.796   23.985   9.0060   39.410   20.889   20.464   9.9812   98.463   28.816   73.293   19.380 25.17019 34.72727 
1 1 1   18   52   10 o   95.750   13.060   33.297   8.4291   43.337   22.666   31.686   9.0803  101.674   30.091   92.827   14.617 8.847122 33.45353 
1 1 1   18   52   11 o   63.136   16.912   15.177   7.5386 -23.4488   22.320   20.151   8.0093   48.749   23.326   72.903   16.284 -24.15353 28.44759 
1 1 1   18   52   12 o  114.497   9.8170   46.837   7.7042   61.073   20.619   44.527   8.3058  121.416   25.355  111.201   10.933 10.21472 27.61175 
1 1 1   18   54    0 o  102.035   16.014   37.797   10.937   38.337   21.457   37.608   12.712   99.623   29.220  100.921   18.893 -1.297882 34.79564 
1 1 1   18   54    1 o   64.258   21.284   14.447   11.028  -8.6976   20.587   23.760   13.059   55.358   25.051   79.615   22.631 -24.25718 33.75948 
1 1 1   18   54    2 o   52.911   20.118   7.4952   10.183   1.0795   20.059   9.7225   11.819   61.041   26.267   58.149   21.770 2.892120 34.11544 
1 1 1   18   54    3 o  234.446   8.8840  191.898   14.415   0.0000   0.0000  191.898   14.415  ?   ?   234.446   8.8840 0.000000 8.883979 
1 1 1   18   54    4 o  145.981   14.139   76.150   14.106   76.439   21.346   75.927   18.796  143.065   22.283  143.833   19.374 -0.7679749 29.52765 
1 1 1   18   54    5 o  157.878   10.494   87.837   11.402   81.659   23.402   89.760   13.056  146.904   23.833  159.188   11.937 -12.28343 26.65535 
1 1 1   18   54    6 o   94.492   16.670   32.925   10.504   31.122   22.229   33.443   11.918   90.025   30.227   94.516   18.880 -4.490662 35.63925 
1 1 1   18   54    7 o  164.581   12.138   96.324   13.729   85.951   23.776  101.512   16.816  149.952   23.696  167.988   14.609 -18.03641 27.83769 
1 1 1   18   54    8 o   38.609   17.350  -3.7002   9.6746   7.7805   22.041  -6.4399   10.767   67.005   28.126   38.737   17.754 28.26818 33.26099 
1 1 1   18   54    9 o  142.710   9.7496   72.064   9.5722   48.068   21.816   77.785   10.652  107.712   28.734  148.048   10.463 -40.33669 30.57966 
1 1 1   18   54   10 o   58.897   22.705   10.395   13.087   0.0000   0.0000   10.395   13.087  ?   ?    58.897   22.705 0.000000 22.70491 
1 1 1   18   54   11 o  189.932   7.0593  126.426   9.2798  163.073   24.621  120.358   10.019  208.796   17.190  185.054   7.8223 23.74237 18.88653 
1 1 1   18   56    0 o   37.291   17.280  -8.2933   10.604  -5.0683   21.460  -9.3352   12.197   58.543   26.105   40.019   18.540 18.52354 32.01907 
1 1 1   18   56    1 o  107.077   14.921   41.461   10.758   43.717   20.771   40.634   12.576  105.567   27.978  105.023   17.946 0.5438919 33.23874 
1 1 1   18   56    2 o   45.619   21.498 -17.0984   17.594   0.0000   0.0000 -17.0984   17.594  ?   ?    45.619   21.498 0.000000 21.49838 
1 1 1   18   56    3 o  142.162   11.202   71.494   10.933   66.732   22.005   73.054   12.597  131.878   25.024  143.232   12.844 -11.35468 28.12788 
1 1 1   18   56    4 o   32.754   15.626 -12.3445   9.8600 -19.9707   19.132  -9.5866   11.506   46.637   22.109   38.266   17.822 8.371094 28.39825 
1 1 1   18   56    5 o  141.299   11.265   70.794   10.925   55.805   22.093   75.646   12.570  118.602   27.457  145.663   12.592 -27.06145 30.20642 
1 1 1   18   56    6 o   86.679   19.835   28.597   11.642   28.195   23.070   28.734   13.485   86.422   30.706   86.175   22.402 0.2464752 38.00943 
1 1 1   18   56    7 o   47.760   19.291   4.4908   9.8563  -8.7561   21.470   8.0279   11.094   55.332   25.251   54.168   20.899 1.163673 32.77725 
1 1 1   18   56    8 o  139.634   12.362   69.940   11.823   0.0000   0.0000   69.940   11.823  ?   ?   139.634   12.362 0.000000 12.36204 
1 1 1   18   56    9 o   83.446   18.030   26.635   10.109   0.0000   0.0000   26.635   10.109  ?   ?    83.446   18.030 0.000000 18.03007 
1 1 1   18   56   10 o   96.003   18.194   35.421   11.647   19.620   21.830   41.708   13.770   74.325   29.136  103.400   19.965 -29.07535 35.32010 
1 1 1   18   58    0 o   82.564   19.412   25.735   10.906   14.366   20.447   30.255   12.893   71.852   28.189   89.112   21.210 -17.26062 35.27732 
1 1 1   18   58    1 o   66.513   22.688   15.599   12.525   0.0000   0.0000   15.599   12.525  ?   ?    66.513   22.688 0.000000 22.68764 
1 1 1   18   58    2 f  127.687   13.714   58.549   11.929   74.146   22.337   52.324   14.110  139.189   24.057  119.226   17.632 19.96369 29.82619 
1 1 1   18   58    3 o   64.568   20.624   15.241   10.405   14.244   21.709   15.538   11.856   72.570   28.862   65.845   22.075 6.725067 36.33641 
1 1 1   18   58    4 o   97.690   16.147   35.164   10.536   36.498   19.995   34.651   12.397   95.485   28.263   95.793   19.364 -0.3071976 34.26017 
1 1 1   18   58    5 o  253.591   9.6016  225.975   16.852  231.756   26.053  221.816   22.097  253.727   14.902  249.455   12.842 4.272202 19.67179 
1 1 1   18   58    6 o   64.544   20.644   15.466   10.423   13.078   22.717   16.103   11.731   71.519   29.141   66.155   21.953 5.363960 36.48458 
1 1 1   18   58    7 o  132.327   11.630   62.651   10.544   80.439   22.942   57.888   11.872  143.226   23.992  126.317   13.804 16.90918 27.67984 
1 1 1   18   58    8 o   88.451   21.274   30.809   12.864   31.859   22.771   30.317   15.591   87.680   30.560   86.442   24.780 1.238297 39.34387 
1 1 1   18   58    9 o   39.710   17.270  -0.2545   8.8585 -28.2146   20.341   6.2897   9.8408   43.759   21.262   49.343   19.493 -5.584274 28.84485 
1 1 1   18   60    0 o   65.090   23.716   14.024   13.863   0.0000   0.0000   14.024   13.863  ?   ?    65.090   23.716 0.000000 23.71600 
1 1 1   18   60    1 o   38.595   17.632  -5.9601   10.506 -17.4927   21.351  -2.2759   12.067   50.880   23.885   44.859   19.812 6.020958 31.03251 
1 1 1   18   60    2 o   95.234   16.764   33.666   10.646   51.902   21.758   27.926   12.207  113.389   27.912   85.241   20.861 28.14774 34.84650 
1 1 1   18   60    3 f  136.992   11.796   66.940   11.075   92.488   22.112   58.384   12.796  156.672   20.914  126.753   14.869 29.91924 25.66052 
1 1 1   18   60    4 f  100.897   15.527   37.483   10.495   46.249   19.876   34.094   12.359  106.936   26.884   94.590   19.525 12.34538 33.22628 
1 1 1   18   60    5 o   36.760   16.969  -6.8761   10.082   25.756   19.506 -18.7717   11.777   81.483   28.291   33.306   16.182 48.17667 32.59159 
1 1 1   18   60    6 o  156.532   10.256   86.990   11.050   97.415   22.920   83.834   12.612  159.425   21.305  152.939   12.012 6.486053 24.45809 
1 1 1   18   60    7 o   69.792   19.725   18.933   9.9508  -3.8980   20.028   26.415   11.466   55.224   24.875   82.060   20.300 -26.83607 32.10732 
1 1 1   18   62    0 o   38.830   17.693  -5.4488   10.489  -8.6862   12.041   4.7395   21.361   39.683   18.397   63.647   27.239 -23.96421 32.86973 
1 1 1   18   62    1 o   88.285   17.560   29.363   10.352   15.244   21.734   33.506   11.774   72.394   28.851   93.977   18.759 -21.58293 34.41328 
1 1 1   18   62    2 o   89.782   17.327   30.324   10.377   25.585   20.998   31.855   11.936   81.832   29.272   91.218   19.497 -9.386223 35.17057 
1 1 1   18   62    3 o   95.499   18.053   34.492   11.495   43.054   20.753   30.702   13.807  101.845   28.382   88.247   22.529 13.59889 36.23625 
1 1 1   18   62    4 o   89.066   17.938   30.161   10.675   28.576   20.745   30.732   12.451   84.361   29.182   88.808   20.648 -4.447731 35.74778 
1 1 1   18   62    5 o   72.222   19.917   20.306   10.278   42.537   21.321   13.576   11.731   99.918   29.076   61.778   21.902 38.13950 36.40205 
1 1 1   18   62    6 o   39.868   18.687 -10.5632   12.984 -28.5171   20.836   0.8348   16.602   44.447   21.578   53.682   23.488 -9.235016 31.89490 
1 1 1   18   64    0 o  136.633   10.637   66.540   9.9792   57.866   13.519   76.925   14.792  125.086   15.981  144.996   14.954 -19.91026 21.88686 
1 1 1   18   64    1 o  111.101   13.919   45.107   10.468   77.171   21.170   34.730   12.043  140.603   22.514   95.159   18.952 45.44327 29.42875 
1 1 1   18   64    2 o   72.175   19.647   20.247   10.078   3.7141   21.022   25.180   11.483   61.588   26.694   80.109   20.597 -18.52095 33.71677 
1 1 1   18   64    3 o   50.811   20.669   5.5017   11.405   4.0980   20.206   6.1578   13.815   60.746   26.250   54.820   22.575 5.925915 34.62243 
1 1 1   19    1    0 o  231.424   8.4890  185.533   13.597  193.902   19.823  178.098   18.685  236.143   12.170  226.307   11.972 9.836365 17.07181 
1 1 1   19    1    1 o  714.370   6.9516  1767.24   34.370  1815.12   60.224  1744.12   41.856  723.478   12.027  709.555   8.5231 13.92297 14.74098 
1 1 1   19    1    2 o  774.864   7.2157  2079.28   38.698  2066.34   66.537  2085.89   47.570  771.898   12.455  775.953   8.8577 -4.054688 15.28319 
1 1 1   19    1    3 o  390.567   5.7939  528.114   15.662  528.293   26.724  528.020   19.329  390.470   9.8886  390.487   7.1520 -0.1773071E-01 12.20391 
1 1 1   19    1    4 o  307.355   7.4122  327.125   15.767  315.463   22.544  338.293   22.061  301.715   10.796  312.465   10.201 -10.74991 14.85300 
1 1 1   19    1    5 o  490.976   7.3033  834.689   24.817  887.317   35.772  785.854   34.459  506.075   10.213  476.250   10.454 29.82571 14.61488 
1 1 1   19    1    6 o  697.878   6.8446  1686.26   33.060  1732.06   41.466  1606.34   54.771  707.198   8.4717  680.819   11.624 26.37909 14.38335 
1 1 1   19    1    7 o  325.722   5.5089  367.274   12.419  378.462   17.731  356.500   17.400  330.591   7.7492  320.853   7.8357 9.737823 11.02036 
1 1 1   19    1    8 o  514.709   5.4539  917.151   19.429  933.163   27.740  901.732   27.221  519.081   7.7213  510.265   7.7077 8.816040 10.90994 
1 1 1   19    1    9 o  342.787   5.8296  406.851   13.831  419.118   19.769  395.090   19.356  347.822   8.2119  337.701   8.2816 10.12042 11.66281 
1 1 1   19    1   10 o  851.799   6.8175  2513.21   40.192  2519.86   56.997  2506.64   56.685  852.521   9.6599  850.286   9.6322 2.234985 13.64157 
1 1 1   19    1   11 o  239.882   7.7182  199.437   12.814  199.152   18.122  199.723   18.122  239.526   10.931  239.870   10.916 -0.3444214 15.44823 
1 1 1   19    1   12 o  119.545   16.626   50.868   13.384   57.513   16.292   37.078   23.471  126.725   19.175  101.349   30.764 25.37516 36.25029 
1 1 1   19    1   13 o   83.910   21.897   25.895   12.852   24.127   22.770   26.722   15.569   86.188   30.518   85.532   24.833 0.6561127 39.34534 
1 1 1   19    1   14 o  394.408   5.9861  539.757   16.340  545.964   23.275  533.724   22.946  396.135   8.4892  391.675   8.4647 4.459686 11.98826 
1 1 1   19    1   15 o  182.595   9.2541  116.658   11.657  104.712   16.853  127.614   16.140  171.638   14.318  190.211   12.326 -18.57294 18.89288 
1 1 1   19    1   16 o  125.004   14.395   56.208   12.227   50.878   20.822   59.013   15.105  113.975   26.840  126.954   17.671 -12.97868 32.13430 
1 1 1   19    1   17 o  117.286   19.186   51.621   15.036   76.537   20.847   24.610   21.706  141.781   21.955   81.788   29.695 59.99298 36.92957 
1 1 1   19    1   18 o  106.798   17.553   42.981   12.523   48.976   21.917   40.075   15.260  107.573   28.845  100.591   22.484 6.982071 36.57303 
1 1 1   19    1   19 o   98.017   14.953   35.959   9.8231   35.807   13.750   36.118   14.038   94.273   21.544   94.487   21.895 -0.2140121 30.71731 
1 1 1   19    3    0 o  917.604   9.8998  2917.91   62.872  2976.10   90.615  2863.90   87.306  926.027   14.138  908.451   13.886 17.57642 19.81684 
1 1 1   19    3    1 o  210.944   7.3844  154.106   10.781  153.317   18.454  154.515   13.283  209.855   12.767  211.182   9.0882 -1.326172 15.67099 
1 1 1   19    3    2 o  328.124   5.9650  372.766   13.546  365.561   23.142  376.522   16.708  324.780   10.295  329.732   7.3213 -4.951843 12.63307 
1 1 1   19    3    3 o  929.939   8.1335  2995.21   52.349  2950.24   89.399  3018.67   64.578  922.159   14.007  933.370   9.9967 -11.21155 17.20850 
1 1 1   19    3    4 o   88.456   13.152   27.724   7.8067   32.109   11.321   23.748   10.780   94.594   17.948   81.045   19.463 13.54971 26.47534 
1 1 1   19    3    5 o  184.543   7.0610  117.918   9.0186  110.062   12.657  126.020   12.854  177.936   10.322  190.479   9.7833 -12.54353 14.22149 
1 1 1   19    3    6 o  907.489   9.8014  2852.83   61.561  2790.24   84.976  2921.95   89.305  897.044   13.687  917.921   14.057 -20.87708 19.61975 
1 1 1   19    3    7 o  412.697   6.0518  589.644   17.286  588.104   21.217  592.683   29.813  412.115   7.4384  413.591   10.415 -1.476959 12.79838 
1 1 1   19    3    8 o  134.282   10.609   62.882   9.7796   64.941   13.598   60.675   14.075  136.010   14.678  131.258   15.812 4.752853 21.57438 
1 1 1   19    3    9 f  411.616   5.6339  586.620   16.050  561.502   22.406  613.092   23.002  402.598   8.0410  420.695   7.9000 -18.09674 11.27243 
1 1 1   19    3   10 o  348.844   6.0684  421.439   14.652  415.285   20.532  427.825   20.914  346.158   8.5702  351.344   8.6005 -5.185547 12.14152 
1 1 1   19    3   11 o  474.856   6.7689  781.245   22.246  790.770   27.078  761.463   39.021  477.610   8.1915  468.204   12.042 9.406219 14.56362 
1 1 1   19    3   12 o  235.287   7.8385  192.000   12.765  207.694   18.157  176.663   17.949  244.480   10.730  225.112   11.559 19.36794 15.77200 
1 1 1   19    3   13 o  143.791   11.692   72.539   11.535   66.935   16.236   78.252   16.392  136.894   17.539  148.490   16.213 -11.59615 23.88528 
1 1 1   19    3   14 o  350.681   7.1201  427.196   17.281  413.073   30.829  433.666   20.868  343.325   12.974  353.033   8.5407 -9.707825 15.53300 
1 1 1   19    3   15 f  162.923   11.582   93.547   12.975   88.146   22.989   96.071   15.718  154.507   22.130  164.462   13.940 -9.954666 26.15488 
1 1 1   19    3   16 o  171.273   9.5142  103.029   11.234  111.601   16.219   95.126   15.574  177.052   13.334  163.178   13.923 13.87453 19.27815 
1 1 1   19    3   17 o   69.208   22.581   17.813   12.430   14.079   15.110   25.629   21.861   66.016   24.635   82.864   29.843 -16.84809 38.69700 
1 1 1   19    3   18 f  128.356   14.069   60.089   12.294   63.223   15.558   54.878   20.061  129.800   17.786  116.131   25.644 13.66920 31.20825 
1 1 1   19    3   19 o   75.093   19.155   22.286   9.9871   31.402   14.143   13.220   14.105   87.345   23.057   62.181   23.669 25.16387 33.04306 
1 1 1   19    5    0 o  577.571   7.7307  1155.38   30.903  1087.32   42.072  1235.12   45.540  560.071   10.854  596.910   11.023 -36.83862 15.46981 
1 1 1   19    5    1 o  709.248   6.8695  1741.93   33.721  1703.90   57.476  1761.89   41.641  701.009   11.846  713.180   8.4361 -12.17163 14.54312 
1 1 1   19    5    2 o  565.349   6.1596  1106.63   24.102  1099.51   41.537  1110.24   29.593  563.240   10.655  566.198   7.5516 -2.958069 13.05991 
1 1 1   19    5    3 f  426.622   5.9100  630.122   17.451  595.610   30.428  647.037   21.302  414.570   10.605  432.266   7.1201 -17.69650 12.77326 
1 1 1   19    5    4 o  350.760   7.3757  426.034   17.906  426.034   17.906   0.0000   0.0000  350.760   7.3757  ?   ?  0.000000 7.375697 
1 1 1   19    5    5 o  130.285   9.3094   59.096   8.3392   59.608   11.932   58.607   11.659  130.431   13.409  129.344   13.209 1.087509 18.82252 
1 1 1   19    5    6 o  455.505   6.0722  718.298   19.143  724.280   23.614  706.829   32.695  457.352   7.4601  451.679   10.459 5.673065 12.84664 
1 1 1   19    5    7 f  510.003   5.4595  900.412   19.271  946.381   27.673  857.130   26.852  522.774   7.6483  497.507   7.7983 25.26779 10.92292 
1 1 1   19    5    8 o  601.409   6.5497  1252.39   27.263  1235.20   33.225  1287.81   47.698  597.181   8.0386  609.505   11.307 -12.32324 13.87312 
1 1 1   19    5    9 f  189.523   8.4864  124.450   11.132  133.548   15.461  114.655   16.041  195.900   11.453  181.319   12.866 14.58133 17.22483 
1 1 1   19    5   10 o   86.286   21.001   27.032   12.423   33.641   14.957   12.332   22.307   96.177   22.814   75.481   29.490 20.69627 37.28502 
1 1 1   19    5   11 o  271.216   7.1164  254.893   13.358  273.197   18.459  234.768   19.355  280.638   9.5036  260.066   10.753 20.57220 14.35106 
1 1 1   19    5   12 o  293.474   6.7634  298.551   13.738  314.552   19.555  282.959   19.303  301.002   9.3867  285.448   9.7708 15.55450 13.54907 
1 1 1   19    5   13 o  201.333   8.7337  140.859   12.170  127.770   17.282  153.734   17.141  190.809   13.167  209.641   11.862 -18.83220 17.72223 
1 1 1   19    5   14 o  296.059   7.4764  304.618   15.320  342.390   27.329  287.310   18.499  312.648   12.630  287.190   9.3070 25.45840 15.68843 
1 1 1   19    5   15 o  326.883   7.3284  371.797   16.580  377.171   30.342  369.510   19.797  327.153   13.400  325.488   8.7878 1.665314 16.02494 
1 1 1   19    5   16 o  135.489   13.473   65.653   12.466   44.346   21.491   76.457   15.304  105.663   28.661  145.615   15.420 -39.95202 32.54616 
1 1 1   19    5   17 o  130.935   12.036   61.279   10.785   51.437   15.278   71.055   15.227  116.838   19.586  139.426   16.074 -22.58884 25.33764 
1 1 1   19    5   18 o   57.827   20.721   11.490   10.527   17.897   14.809   4.9469   14.966   69.503   24.612   55.325   23.197 14.17763 33.82096 
1 1 1   19    5   19 o   48.503   20.390   3.6025   11.613   3.6834   19.954   3.5611   14.280   59.128   25.814   52.264   22.317 6.864388 34.12312 
1 1 1   19    7    0 o  780.518   7.3010  2109.74   39.441  2058.18   47.519  2223.90   70.711  770.786   8.9075  800.761   12.759 -29.97491 15.56054 
1 1 1   19    7    1 f  464.595   5.1755  747.227   16.642  718.528   23.177  777.773   23.911  455.501   7.3518  473.911   7.2899 -18.40973 10.35329 
1 1 1   19    7    2 o  398.631   5.0891  550.092   14.041  532.343   19.850  567.864   19.863  392.076   7.3150  404.955   7.0869 -12.87811 10.18496 
1 1 1   19    7    3 o  429.927   7.1737  640.047   21.346   0.0000   0.0000  640.047   21.346  ?   ?   429.927   7.1737 0.000000 7.173680 
1 1 1   19    7    4 o  429.187   5.1202  637.631   15.209  603.609   21.096  674.457   21.948  417.515   7.3005  441.342   7.1852 -23.82742 10.24320 
1 1 1   19    7    5 o  820.277   6.5110  2329.52   36.965  2258.98   51.060  2407.20   53.583  807.583   9.1352  833.645   9.2868 -26.06171 13.02679 
1 1 1   19    7    6 o  390.638   5.2833  528.234   14.284  542.142   20.502  515.112   19.913  395.688   7.4861  385.698   7.4596 9.989288 10.56824 
1 1 1   19    7    7 o  489.159   5.4226  828.314   18.359  824.477   25.947  832.161   25.979  487.940   7.6832  490.210   7.6571 -2.269836 10.84721 
1 1 1   19    7    8 o  214.749   7.4225  159.714   11.032  182.011   15.630  137.577   15.574  229.184   9.8537  198.887   11.361 30.29614 15.03869 
1 1 1   19    7    9 o  565.252   6.5844  1106.51   25.759  1123.37   31.612  1073.17   44.440  569.442   8.0208  556.245   11.543 13.19714 14.05637 
1 1 1   19    7   10 o  585.081   6.7777  1185.78   27.446  1191.45   33.480  1174.15   47.925  586.343   8.2500  581.616   11.906 4.726318 14.48458 
1 1 1   19    7   11 o  248.382   7.3852  213.810   12.696  227.664   18.065  200.290   17.846  256.131   10.191  240.203   10.735 15.92868 14.80142 
1 1 1   19    7   12 o  210.848   8.3876  154.259   12.240  142.024   17.119  167.054   17.508  201.631   12.327  218.849   11.600 -17.21814 16.92644 
1 1 1   19    7   13 o   89.651   18.327   29.327   10.988   35.805   16.189   23.793   14.962   98.244   24.011   81.129   24.548 17.11481 34.33902 
1 1 1   19    7   14 o   85.281   18.829   26.823   10.817   24.857   15.631   28.631   14.984   82.325   25.131   87.568   24.006 -5.242943 34.75475 
1 1 1   19    7   15 o  117.954   13.603   49.682   10.901   60.636   16.125   40.461   14.794  128.887   18.616  104.011   21.269 24.87606 28.26490 
1 1 1   19    7   16 o  169.841   13.993  103.105   16.302   84.293   23.074  121.854   23.035  149.419   23.054  182.669   18.474 -33.25023 29.54296 
1 1 1   19    7   17 o  117.582   13.403   49.918   10.712   62.293   15.154   37.557   15.145  129.859   17.291   98.113   22.746 31.74578 28.57183 
1 1 1   19    7   18 o   80.915   21.056   25.792   11.905   29.334   15.145   20.063   19.260   85.114   24.430   74.217   27.789 10.89692 37.00105 
1 1 1   19    7   19 o   57.787   23.100   9.5616   13.974   9.5616   13.974   0.0000   0.0000   57.787   23.100  ?   ?  0.000000 23.09988 
1 1 1   19    9    0 o  187.883   8.1402  122.264   10.585  106.424   12.994  153.512   18.251  174.902   10.787  210.024   12.614 -35.12221 16.59730 
1 1 1   19    9    1 o  674.412   5.8135  1574.67   27.136  1530.90   37.630  1622.09   39.168  664.831   8.1779  684.339   8.2697 -19.50732 11.63035 
1 1 1   19    9    2 o  713.820   6.9208  1764.35   34.192  1639.02   56.461  1836.93   42.966  687.601   11.864  728.240   8.5246 -40.63940 14.60912 
1 1 1   19    9    3 o  720.738   8.4740  1799.16   42.271   0.0000   0.0000  1799.16   42.271  ?   ?   720.738   8.4740 0.000000 8.474025 
1 1 1   19    9    4 o  742.449   6.1241  1908.36   31.469  1880.20   44.204  1937.30   44.810  736.797   8.6684  747.901   8.6567 -11.10492 12.25068 
1 1 1   19    9    5 o  555.400   5.4156  1067.81   20.817  1075.24   29.819  1060.75   29.075  557.239   7.7318  553.477   7.5901 3.762085 10.83467 
1 1 1   19    9    6 o  151.229   8.7644   79.475   9.1342   88.949   13.264   70.929   12.597  159.742   12.086  142.455   12.917 17.28734 17.69000 
1 1 1   19    9    7 o  577.127   6.4515  1153.20   25.770  1149.57   31.544  1160.49   44.683  576.146   7.9105  578.661   11.157 -2.514832 13.67673 
1 1 1   19    9    8 f  628.256   5.8682  1366.58   25.516  1425.31   37.242  1314.62   35.031  641.448   8.3886  616.050   8.2159 25.39783 11.74183 
1 1 1   19    9    9 o  576.004   6.6347  1149.04   26.450  1150.82   32.214  1145.37   46.334  576.342   8.0759  574.616   11.650 1.725891 14.17579 
1 1 1   19    9   10 o  799.020   7.6432  2212.16   42.268  2258.24   52.560  2127.80   71.113  807.034   9.4099  782.666   13.128 24.36786 16.15196 
1 1 1   19    9   11 o  576.332   5.9167  1150.59   23.601  1191.24   33.842  1112.10   32.931  586.139   8.3422  566.326   8.4015 19.81213 11.83964 
1 1 1   19    9   12 o   38.949   17.791  -7.0199   10.691 -12.2968   15.189  -1.8395   15.049   44.822   20.738   52.071   22.578 -7.248772 30.65666 
1 1 1   19    9   13 f  337.675   7.0649  395.744   16.511  406.683   27.743  389.744   20.546  341.433   11.740  334.825   8.8663 6.608704 14.71199 
1 1 1   19    9   14 f  252.948   7.2558  222.356   12.703  222.081   18.328  222.609   17.621  252.210   10.500  252.596   10.079 -0.3866577 14.55459 
1 1 1   19    9   15 o  122.452   15.376   53.961   12.744   29.395   22.807   65.113   15.366   89.610   30.615  134.174   16.923 -44.56452 34.98121 
1 1 1   19    9   16 o  131.128   12.170   61.210   10.919   38.332   15.458   83.989   15.425   99.916   22.850  152.851   14.764 -52.93556 27.20518 
1 1 1   19    9   17 o   47.427   20.848  -1.5121   13.215 -27.1707   19.711   19.439   17.811   44.014   21.275   73.964   26.892 -29.94937 34.28991 
1 1 1   19    9   18 o  172.190   9.4100  104.970   11.172  104.801   16.209  105.123   15.419  169.818   13.913  170.499   13.169 -0.6814880 19.15714 
1 1 1   19    9   19 o   40.905   17.955  -0.6351   9.7705  -2.5480   14.050   1.1561   13.596   46.758   20.967   49.045   21.362 -2.286392 29.93265 
1 1 1   19   11    0 o  276.596   6.5645  264.893   12.567  253.616   15.340  287.902   21.912  270.603   8.1907  288.220   10.985 -17.61603 13.70208 
1 1 1   19   11    1 o  345.885   5.2638  414.150   12.601  401.798   17.837  426.457   17.805  340.626   7.5659  350.930   7.3305 -10.30420 10.53466 
1 1 1   19   11    2 o  424.014   10.116  622.927   29.686   0.0000   0.0000  622.927   29.686  ?   ?   424.014   10.116 0.000000 10.11561 
1 1 1   19   11    3 o  419.108   5.1758  608.039   15.013  615.185   21.666  601.438   20.824  421.496   7.4268  416.767   7.2192 4.729065 10.35730 
1 1 1   19   11    4 o  257.518   5.9038  229.576   10.522  246.233   15.620  215.735   14.238  266.644   8.4637  249.590   8.2422 17.05397 11.81390 
1 1 1   19   11    5 o  223.888   6.4958  173.542   10.066  195.399   14.670  154.098   13.836  237.523   8.9238  210.921   9.4783 26.60208 13.01815 
1 1 1   19   11    6 o  278.474   5.8302  268.460   11.237  271.023   16.127  266.040   15.666  279.746   8.3292  277.167   8.1666 2.579590 11.66492 
1 1 1   19   11    7 o  552.197   5.5405  1055.60   21.175  1107.83   30.794  1008.76   29.164  565.583   7.8666  539.703   7.8077 25.87939 11.08344 
1 1 1   19   11    8 o  217.454   8.5030  163.814   12.797  174.747   15.776  142.781   21.883  224.541   10.152  202.139   15.766 22.40125 18.75154 
1 1 1   19   11    9 o  578.962   5.7730  1160.68   23.133  1203.34   33.476  1121.70   32.003  589.319   8.2073  568.985   8.1267 20.33411 11.55002 
1 1 1   19   11   10 o  255.584   7.1258  226.316   12.605  232.975   17.749  219.539   17.904  259.178   9.8947  251.571   10.283 7.606873 14.27049 
1 1 1   19   11   11 o  249.689   8.5495  216.214   14.775  230.462   18.368  190.098   24.868  257.658   10.300  233.044   15.507 24.61473 18.61567 
1 1 1   19   11   12 o  219.362   11.085  167.812   16.775  144.878   22.463  196.732   25.224  202.872   16.131  236.738   15.480 -33.86636 22.35706 
1 1 1   19   11   13 o   40.120   18.010  -4.6162   10.397   20.885   14.918 -28.6991   14.497   76.918   24.708   35.261   17.306 41.65723 30.16541 
1 1 1   19   11   14 o   59.433   20.812   11.425   10.566   13.508   15.087   9.4183   14.804   67.016   24.691   61.943   24.073 5.073483 34.48429 
1 1 1   19   11   15 o  198.263   10.052  137.884   13.748  137.645   16.684  138.390   24.265  197.444   12.270  195.723   18.118 1.720749 21.88192 
1 1 1   19   11   16 o   72.268   21.646   19.635   11.677   3.6808   14.624   47.698   19.395   54.816   22.954  110.321   25.853 -55.50472 34.57267 
1 1 1   19   11   17 o   43.990   18.828   0.7567   10.207   1.4179   14.701   0.1413   14.183   52.309   22.498   50.402   21.886 1.906933 31.38703 
1 1 1   19   11   18 o  173.107   9.5589  106.213   11.408  102.137   16.648  109.820   15.664  167.188   14.532  174.261   13.083 -7.073517 19.55343 
1 1 1   19   11   19 o   58.888   21.134   12.657   10.954   8.5171   19.843   14.472   13.138   62.223   26.432   62.738   23.053 -0.5142784 35.07213 
1 1 1   19   13    0 f  107.590   13.458   40.767   9.8021   28.236   12.131   64.341   16.638   88.367   20.266  134.872   18.297 -46.50531 27.30346 
1 1 1   19   13    1 o  646.963   5.7924  1449.02   25.937  1353.96   35.111  1563.21   38.481  625.263   8.1133  671.834   8.2757 -46.57068 11.58930 
1 1 1   19   13    2 o  1160.95   8.3954  4667.90   67.458  4583.88   93.738  4758.17   97.154  1150.01   11.777  1171.64   11.981 -21.62683 16.80006 
1 1 1   19   13    3 o  605.738   5.5823  1270.18   23.403  1269.74   33.504  1270.59   32.705  605.527   7.9943  605.739   7.8011 -0.2127686 11.16987 
1 1 1   19   13    5 o  1087.97   7.9837  4098.95   60.117  4084.86   84.884  4113.12   85.152  1085.73   11.296  1089.48   11.293 -3.750122 15.97272 
1 1 1   19   13    6 o  626.760   5.7315  1359.92   24.863  1341.14   34.993  1379.06   35.332  622.301   8.1246  631.040   8.0896 -8.739563 11.46522 
1 1 1   19   13    7 o  367.438   6.4057  467.464   16.290  478.555   20.302  447.415   27.297  371.719   7.8911  359.284   10.977 12.43497 13.51927 
1 1 1   19   13    8 o  501.260   5.5641  869.933   19.303  918.112   28.071  826.713   26.587  514.826   7.8782  488.530   7.8634 26.29617 11.13099 
1 1 1   19   13    9 o  485.316   6.4790  815.734   21.762  772.683   35.464  841.739   27.562  471.990   10.856  492.880   8.0797 -20.89008 13.53281 
1 1 1   19   13   10 o  243.459   7.4550  205.389   12.562  207.686   18.006  203.211   17.533  244.649   10.634  242.010   10.468 2.639542 14.92186 
1 1 1   19   13   11 o  238.675   8.4470  197.579   13.954  200.390   22.733  195.879   17.675  239.533   13.770  237.481   10.754 2.051895 17.47180 
1 1 1   19   13   12 o  344.657   7.2146  412.050   17.210  407.066   20.827  422.780   30.559  342.370   8.7892  348.257   12.678 -5.886749 15.42688 
1 1 1   19   13   13 o  297.746   7.7359  307.983   15.942  321.838   19.443  279.561   27.847  304.118   9.2373  282.003   14.314 22.11520 17.03604 
1 1 1   19   13   14 o  103.303   18.834   39.151   12.970   45.107   24.250   36.765   15.350  108.123   30.875   98.991   22.865 9.132538 38.41944 
1 1 1   19   13   15 o   34.342   16.292 -12.0911   10.425 -12.9970   14.713 -11.1777   14.773   42.764   19.996   43.972   20.383 -1.208912 28.55348 
1 1 1   19   13   16 o  147.583   10.802   77.056   10.957   78.042   15.922   76.170   15.102  146.687   15.940  145.175   15.259 1.512253 22.06599 
1 1 1   19   13   17 o   73.780   19.455   20.900   10.077   35.899   14.684   7.5504   13.853   95.672   22.545   56.975   22.920 38.69722 32.15006 
1 1 1   19   13   18 o   33.091   15.781 -11.7350   10.039  -4.2154   15.094 -17.7009   13.444   47.798   21.556   36.884   17.764 10.91332 27.93278 
1 1 1   19   13   19 o   61.112   19.622   14.549   9.4096   13.659   13.697   15.344   12.949   61.910   23.382   63.626   22.960 -1.715393 32.77056 
1 1 1   19   15    0 o  686.548   11.825  1633.66   56.187   0.0000   0.0000  1633.66   56.187  ?   ?   686.548   11.825 0.000000 11.82455 
1 1 1   19   15    1 o  850.419   7.7406  2504.38   45.560  2473.60   55.254  2569.76   80.526  845.039   9.4473  860.864   13.515 -15.82440 16.48981 
1 1 1   19   15    2 o  902.760   6.9615  2821.75   43.496  2811.30   61.428  2832.25   61.599  900.852   9.8522  904.202   9.8431 -3.350891 13.92667 
1 1 1   19   15    3 o  603.630   7.8465  1261.74   32.781   0.0000   0.0000  1261.74   32.781  ?   ?   603.630   7.8465 0.000000 7.846504 
1 1 1   19   15    4 o  761.368   6.2565  2006.85   32.969  2019.11   47.056  1995.02   46.206  763.531   8.9046  758.969   8.7962 4.561768 12.51654 
1 1 1   19   15    5 o  776.242   6.3514  2086.08   34.123  2078.27   48.263  2093.89   48.251  774.616   9.0022  777.525   8.9663 -2.908875 12.70567 
1 1 1   19   15    6 o  503.728   6.2927  878.503   21.939  870.302   27.085  894.146   37.410  501.307   7.8064  507.970   10.641 -6.662964 13.19715 
1 1 1   19   15    7 o  869.615   6.8399  2618.70   41.168  2623.30   58.479  2614.17   57.964  870.090   9.7109  868.583   9.6421 1.507874 13.68471 
1 1 1   19   15    8 o   92.927   16.073   30.865   9.9635   34.021   14.122   27.738   14.059   96.890   21.609   87.553   22.929 9.337212 31.50735 
1 1 1   19   15    9 o  815.387   6.6709  2302.87   37.646  2332.97   53.883  2274.17   52.620  820.317   9.4905  809.930   9.3870 10.38727 13.34861 
1 1 1   19   15   10 o  441.510   6.5603  675.312   20.047  654.634   33.281  687.086   25.114  434.260   11.073  445.211   8.1502 -10.95093 13.74930 
1 1 1   19   15   11 o  114.118   14.406   46.089   11.124   53.787   15.693   38.313   15.772  122.504   19.134  102.361   22.843 20.14261 29.79764 
1 1 1   19   15   12 o  100.278   16.101   36.092   10.796   30.790   14.870   42.004   15.701   91.382   23.407  107.059   21.927 -15.67714 32.07312 
1 1 1   19   15   13 o  213.823   9.4228  159.189   13.945  154.158   16.647  171.024   25.531  209.796   11.509  219.529   16.934 -9.733170 20.47495 
1 1 1   19   15   14 o  235.269   8.6949  192.876   14.158  202.872   17.382  173.171   24.405  240.926   10.424  220.548   16.099 20.37885 19.17935 
1 1 1   19   15   15 o  117.715   15.107   49.988   12.024   46.601   14.792   56.585   20.644  112.012   19.805  121.388   25.389 -9.375771 32.19993 
1 1 1   19   15   16 o  121.504   12.758   52.888   10.568   39.482   15.407   64.803   14.525  101.210   22.569  133.395   16.054 -32.18534 27.69669 
1 1 1   19   15   17 o   88.924   16.947   29.709   10.050   10.380   14.622   47.016   13.835   60.846   23.847  111.670   18.552 -50.82358 30.21376 
1 1 1   19   15   18 o  117.049   12.903   49.880   10.279   55.153   15.141   45.372   13.999  120.008   18.851  108.352   19.379 11.65581 27.03538 
1 1 1   19   15   19 f   51.482   19.233   8.8001   9.2153   0.9644   13.500   15.637   12.610   48.416   21.182   63.686   22.694 -15.27085 31.04342 
1 1 1   19   17    0 o  298.480   6.0229  308.422   12.442  304.165   17.497  312.775   17.696  296.357   8.5305  300.523   8.5080 -4.165710 12.04809 
1 1 1   19   17    1 o   64.669   20.317   14.350   10.133   12.127   12.814   18.059   16.553   64.031   22.871   75.631   26.073 -11.60078 34.68226 
1 1 1   19   17    2 o  161.807   8.3260   90.909   9.2926   65.105   13.356  115.123   12.938  136.262   14.379  182.000   10.313 -45.73857 17.69506 
1 1 1   19   17    3 o  860.251   9.5398  2563.35   56.799   0.0000   0.0000  2563.35   56.799  ?   ?   860.251   9.5398 0.000000 9.539847 
1 1 1   19   17    4 o  285.772   8.6492  282.834   17.107  282.834   17.107   0.0000   0.0000  285.772   8.6492  ?   ?  0.000000 8.649189 
1 1 1   19   17    5 o  574.918   10.943  1145.37   43.544   0.0000   0.0000  1145.37   43.544  ?   ?   574.918   10.943 0.000000 10.94326 
1 1 1   19   17    6 o  545.344   5.5696  1029.58   21.022  1043.39   30.172  1016.54   29.306  548.878   7.9424  541.777   7.8156 7.100769 11.14291 
1 1 1   19   17    7 o  133.648   10.991   62.341   10.076   71.400   14.699   54.311   13.839  142.602   15.124  123.938   16.547 18.66341 22.41754 
1 1 1   19   17    8 o  354.750   5.8400  435.770   14.339  441.902   20.520  429.919   20.045  357.125   8.3019  352.254   8.2218 4.871246 11.68411 
1 1 1   19   17    9 o  259.142   7.9524  232.712   14.263  208.683   23.619  246.505   17.894  244.651   14.007  266.622   9.6971 -21.97165 17.03613 
1 1 1   19   17   10 o  219.721   9.0062  167.438   13.696  145.073   22.457  180.682   17.282  203.407   16.083  228.124   10.946 -24.71761 19.45435 
1 1 1   19   17   11 o  176.714   9.7317  108.775   11.857   98.670   17.043  118.252   16.505  167.524   14.854  183.814   13.059 -16.28987 19.77768 
1 1 1   19   17   12 o  260.603   7.0977  235.658   12.802  249.564   18.418  222.660   17.807  267.836   9.9358  252.955   10.171 14.88094 14.21861 
1 1 1   19   17   13 f   37.501   17.205  -6.9830   10.145   1.7059   14.211 -16.0142   14.488   53.280   22.486   40.979   19.372 12.30124 29.67962 
1 1 1   19   17   14 o  121.981   14.776   53.292   12.220   73.732   14.978   12.600   21.134  143.591   15.308   72.101   28.539 71.49007 32.38545 
1 1 1   19   17   15 o  254.016   8.3324  225.227   14.649  223.876   17.864  228.000   25.596  252.708   10.214  252.904   14.686 -0.1958618 17.88869 
1 1 1   19   17   16 o  159.222   9.7599   89.384   10.703   72.353   15.097  106.597   15.177  141.066   15.731  172.833   12.779 -31.76695 20.26683 
1 1 1   19   17   17 f   66.844   20.916   16.979   10.751   23.717   18.742   13.674   13.125   78.573   27.702   63.281   23.073 15.29201 36.05257 
1 1 1   19   17   18 o   81.369   17.968   25.618   9.8485   51.385   14.322   2.5021   13.565  115.814   18.489   50.633   21.689 65.18129 28.50013 
1 1 1   19   17   19 o   43.123   17.945   3.1759   8.8582  -2.6928   12.817   8.5426   12.256   44.231   19.914   54.188   21.643 -9.956219 29.41081 
1 1 1   19   19    0 o  791.685   6.4713  2169.90   35.459  2138.08   49.729  2202.80   50.573  785.691   9.1450  797.494   9.1626 -11.80304 12.94540 
1 1 1   19   19    1 o  563.821   11.007  1101.46   42.953   0.0000   0.0000  1101.46   42.953  ?   ?   563.821   11.007 0.000000 11.00723 
1 1 1   19   19    2 o  189.255   7.6313  124.023   9.9959  135.616   14.614  113.830   13.703  197.554   10.729  180.921   10.995 16.63365 15.36217 
1 1 1   19   19    3 o  417.295   5.4450  602.794   15.726  600.762   22.360  604.782   22.122  416.524   7.7563  417.919   7.6480 -1.394958 10.89274 
1 1 1   19   19    4 f  290.332   6.8802  291.852   13.825  299.433   17.296  278.439   23.007  294.038   8.4991  283.441   11.728 10.59695 14.48383 
1 1 1   19   19    5 o  375.212   5.5785  487.375   14.487  499.997   20.896  475.694   20.101  379.967   7.9460  370.621   7.8364 9.345734 11.16012 
1 1 1   19   19    6 o  513.435   5.5470  912.648   19.712  891.917   27.851  933.454   27.902  507.458   7.9299  519.149   7.7654 -11.69116 11.09887 
1 1 1   19   19    7 o  665.614   5.9904  1534.07   27.597  1560.01   39.802  1510.06   38.297  671.013   8.5703  660.200   8.3813 10.81396 11.98734 
1 1 1   19   19    8 o  316.359   6.1715  346.599   13.513  364.318   19.695  330.837   18.575  324.223   8.7767  308.970   8.6861 15.25244 12.34825 
1 1 1   19   19    9 o  430.164   5.8359  640.856   17.375  632.027   24.866  649.280   24.287  427.007   8.4137  432.822   8.1077 -5.814697 11.68437 
1 1 1   19   19   10 o  278.579   7.9350  269.068   15.299  270.760   19.056  266.000   25.663  279.311   9.8574  276.504   13.410 2.806763 16.64327 
1 1 1   19   19   11 o  176.925   13.136  109.692   15.970   0.0000   0.0000  109.692   15.970  ?   ?   176.925   13.136 0.000000 13.13597 
1 1 1   19   19   12 o  171.754   9.7378  102.980   11.528   96.376   16.718  108.966   15.917  165.188   14.779  176.075   13.156 -10.88792 19.78684 
1 1 1   19   19   13 o   53.036   21.242   5.3245   11.842   22.265   14.510 -28.4781   20.496   78.282   24.267   45.891   22.061 32.39075 32.79583 
1 1 1   19   19   14 o   41.943   18.257  -1.2295   9.9169  -4.2968   14.105   1.7689   13.946   47.600   21.199   52.502   22.223 -4.902035 30.71261 
1 1 1   19   19   15 o  104.480   14.531   39.498   10.223   37.826   14.445   41.176   14.470   99.853   21.535  104.578   20.725 -4.725388 29.88733 
1 1 1   19   19   16 o  227.642   10.271  182.498   16.182  172.439   21.393  195.951   24.740  219.153   14.180  232.905   15.435 -13.75183 20.96002 
1 1 1   19   19   17 o  219.379   7.5253  168.546   11.426  197.309   16.938  144.531   15.478  236.107   10.365  201.445   11.145 34.66133 15.21996 
1 1 1   19   19   18 o   50.468   19.188   7.7473   9.2627   17.020   13.310  -0.9606   12.898   66.771   23.359   46.427   20.495 20.34417 31.07563 
1 1 1   19   19   19 o   75.706   17.656   22.747   9.0814   26.301   13.119   19.476   12.584   78.761   22.775   68.627   22.736 10.13389 32.18125 
1 1 1   19   21    0 o  470.185   5.5031  765.279   17.908  747.235   25.222  783.623   25.431  464.534   7.8449  475.715   7.7239 -11.18076 11.00917 
1 1 1   19   21    1 o  836.737   7.7238  2424.34   44.730  2376.87   53.907  2529.27   80.142  828.380   9.4024  854.102   13.557 -25.72180 16.49871 
1 1 1   19   21    2 o  147.181   9.8928   75.379   10.019  106.326   14.667   48.307   13.718  174.723   12.205  116.677   17.530 58.04651 21.36023 
1 1 1   19   21    3 o  248.334   7.6794  213.549   13.199  213.880   16.573  212.976   21.825  248.480   9.6371  247.529   12.783 0.9503479 16.00853 
1 1 1   19   21    4 o  578.106   5.6726  1156.98   22.697  1128.37   31.802  1186.68   32.404  570.804   8.0498  585.371   7.9981 -14.56653 11.34763 
1 1 1   19   21    5 o  460.171   5.5745  733.101   17.754  718.371   25.151  747.731   25.066  455.427   7.9793  464.650   7.7943 -9.222382 11.15440 
1 1 1   19   21    6 o  256.385   6.7024  227.629   11.893  241.426   17.532  215.866   16.188  263.947   9.5969  249.592   9.3708 14.35527 13.41319 
1 1 1   19   21    7 o  442.506   5.6295  677.998   17.241  665.254   24.429  690.644   24.336  438.199   8.0550  446.494   7.8752 -8.295166 11.26508 
1 1 1   19   21    8 o   75.765   21.568   20.553   11.853   4.4337   21.834   27.289   14.114   68.170   28.254   86.801   23.090 -18.63090 36.48905 
1 1 1   19   21    9 o  166.229   10.296   96.247   11.787  110.484   17.366   84.086   16.050  177.658   14.243  154.693   15.186 22.96455 20.82081 
1 1 1   19   21   10 f  479.346   5.7464  796.017   19.064  790.047   27.310  801.691   26.626  477.264   8.2676  480.803   8.0012 -3.538940 11.50531 
1 1 1   19   21   11 f  190.023   10.194  125.921   13.358   95.951   22.184  142.969   16.732  163.847   19.976  202.226   12.008 -38.37891 23.30748 
1 1 1   19   21   12 f  111.528   14.259   44.289   10.755   51.815   15.455   37.223   14.975  119.516   19.345  100.280   22.166 19.23611 29.42070 
1 1 1   19   21   13 o  131.325   11.937   60.881   10.731   71.200   15.480   51.335   14.889  141.030   16.151  118.726   18.742 22.30396 24.74052 
1 1 1   19   21   14 o  104.586   14.732   39.451   10.369   49.574   14.904   29.955   14.434  116.008   19.236   88.828   23.219 27.17979 30.15202 
1 1 1   19   21   15 f  178.570   8.8586  111.553   10.948  126.468   15.773   97.688   15.209  188.879   12.130  165.460   13.396 23.41846 18.07173 
1 1 1   19   21   16 o   47.125   19.230   3.9290   9.9105   6.2020   13.838   1.5358   14.200   55.710   22.727   51.736   22.177 3.974014 31.75407 
1 1 1   19   21   17 o  142.434   12.589   73.178   12.282   70.742   15.231   77.707   20.768  138.213   16.231  141.350   21.940 -3.137039 27.29123 
1 1 1   19   21   18 o   95.330   15.043   34.092   9.5958   26.512   13.809   41.170   13.344   80.188   23.418  102.462   19.530 -22.27433 30.49306 
1 1 1   19   23    0 o  1073.40   7.9651  3989.90   59.174  3839.76   80.626  4165.20   87.119  1052.67   11.066  1096.32   11.481 -43.64832 15.94642 
1 1 1   19   23    1 o  1044.74   7.8069  3779.63   56.450  3667.06   77.381  3907.67   82.532  1028.75   10.868  1061.91   11.229 -33.16760 15.62732 
1 1 1   19   23    2 o  352.958   8.1773  431.437   19.976  431.437   19.976   0.0000   0.0000  352.958   8.1773  ?   ?  0.000000 8.177302 
1 1 1   19   23    3 o  580.832   5.7531  1167.93   23.127  1120.21   32.109  1219.39   33.340  568.728   8.1572  593.375   8.1183 -24.64636 11.50855 
1 1 1   19   23    4 o  484.717   5.5809  813.389   18.723  759.467   25.857  872.825   27.147  468.276   7.9780  502.017   7.8130 -33.74109 11.16657 
1 1 1   19   23    5 o  224.156   7.4684  174.021   11.587  165.474   16.514  182.309   16.261  218.482   10.921  229.350   10.244 -10.86876 14.97334 
1 1 1   19   23    6 o  499.342   5.6095  863.318   19.387  844.131   27.276  882.906   27.559  493.630   7.9838  504.846   7.8874 -11.21634 11.22280 
1 1 1   19   23    7 o  290.343   7.3043  292.023   14.678  291.122   26.091  292.440   17.754  289.571   13.018  290.481   8.8307 -0.9104614 15.73094 
1 1 1   19   23    8 o  232.868   8.9648  188.002   14.449  168.878   27.052  195.634   17.091  219.383   17.975  237.473   10.398 -18.08989 20.76558 
1 1 1   19   23    9 o   67.637   22.667   15.124   12.500   57.073   23.153  -2.1307   14.849  124.741   27.553   51.622   22.405 73.11916 35.51307 
1 1 1   19   23   10 o  190.364   10.275  126.271   13.487  164.293   24.767  110.244   16.080  216.124   16.687  177.420   13.189 38.70451 21.26983 
1 1 1   19   23   11 o  152.442   15.656   82.279   16.284   69.220   24.360   92.829   21.894  136.743   26.697  160.910   20.097 -24.16704 33.41600 
1 1 1   19   23   12 o   75.291   23.040   20.497   13.128   13.420   23.439   23.731   15.847   76.014   30.066   81.043   25.399 -5.029556 39.35839 
1 1 1   19   23   13 o  383.090   5.8248  509.443   15.444  482.730   21.731  536.705   21.953  372.278   8.4341  392.644   8.0782 -20.36633 11.67869 
1 1 1   19   23   14 o   91.392   16.418   30.636   10.003   47.873   14.970   16.729   13.446  113.630   19.752   69.139   23.508 44.49131 30.70456 
1 1 1   19   23   15 o   50.286   19.880   5.7840   10.242   15.805   18.945   1.6455   12.175   71.688   27.397   48.830   20.721 22.85754 34.35042 
1 1 1   19   23   16 o  118.649   12.190   50.542   9.8677   41.760   15.138   57.031   13.012  103.771   21.772  124.840   15.385 -21.06929 26.65946 
1 1 1   19   23   17 o   92.755   15.354   32.094   9.5117   38.391   14.326   27.131   12.720   98.545   21.601   82.527   21.905 16.01833 30.76386 
1 1 1   19   23   18 f   85.561   19.543   29.109   11.319   34.539   13.467   16.039   20.891   92.247   21.492   69.278   28.049 22.96885 35.33609 
1 1 1   19   25    0 o  519.253   6.5870  933.520   23.673  901.169   28.539  1004.88   42.385  510.111   8.0833  538.465   11.373 -28.35355 13.95295 
1 1 1   19   25    1 o  642.244   6.8851  1428.20   30.604  1406.83   37.238  1472.68   53.721  637.330   8.4420  651.805   11.908 -14.47510 14.59714 
1 1 1   19   25    2 o  147.270   12.445   75.732   12.566   75.541   15.501   76.098   21.461  146.720   15.499  146.279   21.869 0.4411316 26.80452 
1 1 1   19   25    3 f  694.529   6.1383  1670.10   29.507  1600.62   40.674  1747.29   42.870  679.762   8.6454  710.218   8.7213 -30.45563 12.28020 
1 1 1   19   25    4 o  347.989   6.0136  419.280   14.484  418.702   20.768  419.828   20.209  347.653   8.6313  348.131   8.3875 -0.4779358 12.03536 
1 1 1   19   25    5 o   92.376   17.174   30.616   10.576   40.856   15.198   21.001   14.727  106.398   21.380   77.970   24.493 28.42751 32.51172 
1 1 1   19   25    6 o  375.426   6.6885  488.150   17.379  439.415   29.344  514.479   21.569  355.876   11.914  385.345   8.0872 -29.46909 14.39935 
1 1 1   19   25    7 o  631.611   8.5789  1382.68   37.502  1382.68   37.502   0.0000   0.0000  631.611   8.5789  ?   ?  0.000000 8.578916 
1 1 1   19   25    8 f  285.367   7.8821  282.253   15.568  288.488   29.019  279.733   18.447  287.583   14.628  283.997   9.3849 3.585571 17.37954 
1 1 1   19   25    9 o  232.381   8.8091  187.340   14.168  207.854   25.948  178.627   16.912  243.663   15.467  226.773   10.775 16.89069 18.84973 
1 1 1   19   25   10 o  120.074   15.537   51.232   12.609   63.512   23.344   46.174   14.983  131.253   26.609  112.954   19.891 18.29870 33.22176 
1 1 1   19   25   11 o  154.724   15.596   84.856   16.473   88.000   22.788   81.415   23.842  155.926   21.704  149.194   23.896 6.732849 32.28143 
1 1 1   19   25   12 o  196.171   9.6014  134.126   13.036  136.146   26.742  133.496   14.930  194.358   20.173  195.171   11.099 -0.8127289 23.02493 
1 1 1   19   25   13 o  132.367   12.683   62.135   11.477   21.717   22.973   75.577   13.248   82.171   30.432  145.944   13.260 -63.77370 33.19530 
1 1 1   19   25   14 o   72.658   22.300   19.607   12.288   0.0000   0.0000   19.607   12.288  ?   ?    72.658   22.300 0.000000 22.30041 
1 1 1   19   25   15 o  101.845   14.138   37.655   9.6967   34.272   15.166   39.994   12.611   93.806   23.429  103.509   18.271 -9.703545 29.71125 
1 1 1   19   25   16 o   61.640   19.531   14.144   9.3458   21.138   14.733   9.4342   12.090   74.232   24.601   56.894   21.851 17.33805 32.90444 
1 1 1   19   25   17 o   50.611   19.216   7.6961   9.2825  -6.8661   14.192   18.584   12.271   44.407   20.364   69.056   22.431 -24.64904 30.29627 
1 1 1   19   25   18 o   42.530   18.246   1.3644   9.6255  -4.9975   12.679   10.020   14.788   42.442   19.382   58.597   23.643 -16.15518 30.57227 
1 1 1   19   27    0 o  572.917   6.8272  1136.57   27.071  1085.88   32.425  1253.17   49.182  559.911   8.3674  601.224   11.819 -41.31226 14.48139 
1 1 1   19   27    1 o  187.814   8.8190  122.195   11.464  124.913   16.431  119.617   16.002  189.373   12.608  185.301   12.552 4.071121 17.79052 
1 1 1   19   27    2 o  241.452   8.7696  201.962   14.655  190.561   18.073  223.854   25.043  234.461   11.137  253.574   14.328 -19.11327 18.14746 
1 1 1   19   27    3 o  737.681   6.3788  1884.28   32.567  1819.10   44.991  1956.02   47.203  724.598   8.9712  751.362   9.0770 -26.76440 12.76225 
1 1 1   19   27    4 o  198.964   8.5297  137.153   11.746  142.616   16.618  131.699   16.604  202.426   11.914  194.449   12.402 7.977036 17.19781 
1 1 1   19   27    5 o  371.603   6.9056  478.273   17.761  459.171   29.942  488.643   22.061  363.800   11.892  375.527   8.4879 -11.72726 14.61009 
1 1 1   19   27    6 o  331.625   6.3145  380.884   14.493  358.010   20.959  401.843   20.063  321.353   9.4236  340.515   8.5129 -19.16122 12.69936 
1 1 1   19   27    7 o  229.325   8.0075  182.266   12.709  185.076   18.688  179.847   17.336  230.589   11.749  227.645   11.003 2.943176 16.09646 
1 1 1   19   27    8 o  276.069   8.0385  264.234   15.359  249.024   28.664  270.360   18.191  266.877   15.586  279.154   9.4154 -12.27707 18.20939 
1 1 1   19   27    9 o  210.292   9.4390  153.548   13.738  169.171   25.249  146.978   16.374  219.327   16.760  205.251   11.573 14.07562 20.36797 
1 1 1   19   27   10 o  129.211   17.523   59.691   15.266   77.122   23.237   46.454   20.250  145.449   23.914  111.733   26.574 33.71618 35.74966 
1 1 1   19   27   11 f   40.322   17.771  -2.5309   9.6598 -23.5179   14.708   13.389   12.810   37.776   18.289   64.835   22.898 -27.05845 29.30502 
1 1 1   19   27   12 o  220.793   8.4859  169.738   12.968  179.109   17.206  157.415   19.730  226.340   10.983  211.211   13.569 15.12888 17.45693 
1 1 1   19   27   13 o   86.093   29.520   26.820   21.206   26.820   21.206   0.0000   0.0000   86.093   29.520  ?   ?  0.000000 29.52004 
1 1 1   19   27   14 o  125.829   12.563   56.473   10.794   56.000   22.411   56.616   12.317  119.138   27.704  125.395   14.457 -6.256401 31.24887 
1 1 1   19   27   15 o  137.400   11.943   67.366   11.244  107.561   22.278   53.628   13.025  170.186   19.252  121.019   15.938 49.16762 24.99312 
1 1 1   19   27   16 o  139.729   11.650   69.926   11.164   60.439   21.995   73.218   12.957  121.492   26.870  142.282   13.313 -20.78977 29.98728 
1 1 1   19   27   17 o  102.515   14.780   39.083   10.183   43.764   14.362   34.351   14.441  105.530   20.402   91.925   22.808 13.60500 30.60085 
1 1 1   19   27   18 o   30.421   14.555 -10.3690   8.6894  -3.7994   13.184 -15.4145   11.554   43.962   19.955   33.780   16.318 10.18225 25.77785 
1 1 1   19   29    0 o  162.551   12.387   92.174   13.831   82.634   24.363   96.711   16.801  152.090   23.936  166.257   14.754 -14.16696 28.11825 
1 1 1   19   29    2 o  664.256   6.1612  1527.83   28.325  1450.09   38.882  1615.75   41.348  646.945   8.6836  682.895   8.7483 -35.94989 12.32635 
1 1 1   19   29    3 o  242.620   8.8478  203.971   14.857  200.021   18.299  211.610   25.450  240.174   11.008  246.371   14.997 -6.196228 18.60351 
1 1 1   19   29    4 o  303.038   13.752  318.878   28.842  318.878   28.842   0.0000   0.0000  303.038   13.752  ?   ?  0.000000 13.75175 
1 1 1   19   29    5 o  638.281   6.1055  1410.89   26.972  1336.43   36.980  1495.52   39.425  620.981   8.6043  656.896   8.6715 -35.91504 12.21596 
1 1 1   19   29    6 o  469.123   5.9175  762.194   19.213  768.520   27.348  756.029   26.999  470.877   8.3915  467.038   8.3525 3.838806 11.83982 
1 1 1   19   29    7 o  344.784   6.3767  411.827   15.217  393.321   22.241  428.112   20.864  336.721   9.5437  351.380   8.5790 -14.65915 12.83282 
1 1 1   19   29    8 o   94.023   19.870   32.139   12.526   57.707   23.310   21.758   14.852  125.205   27.639   78.723   24.576 46.48214 36.98525 
1 1 1   19   29    9 o   33.883   16.482 -21.5209   12.314  -4.5037   15.748 -48.2927   19.753   51.157   22.611   38.392   19.086 12.76497 29.58960 
1 1 1   19   29   10 f   88.590   20.257   28.875   12.150   22.347   14.956   41.551   20.839   79.039   24.659  105.314   28.078 -26.27430 37.36908 
1 1 1   19   29   11 o  138.014   10.468   66.827   9.9243   69.096   14.818   64.981   13.364  139.211   15.651  135.237   14.505 3.973862 21.33860 
1 1 1   19   29   12 o  199.016   7.6458  137.816   10.531  134.588   15.945  140.314   14.026  195.584   11.835  200.144   10.159 -4.560043 15.59708 
1 1 1   19   29   13 o   31.028   14.815 -11.4950   8.9038 -18.4532   13.818  -6.5542   11.644   38.049   18.245   40.881   18.632 -2.831409 26.07740 
1 1 1   19   29   14 o   55.964   19.364   10.597   9.1343   18.673   14.152   4.8299   11.959   71.701   24.118   51.869   21.140 19.83150 32.07136 
1 1 1   19   29   15 o  138.802   9.9766   68.201   9.5203   60.132   14.240   74.724   12.802  127.822   16.480  144.241   12.962 -16.41922 20.96680 
1 1 1   19   29   16 o  117.320   11.684   49.524   9.3613   48.317   14.377   50.412   12.334  112.426   19.164  116.664   15.672 -4.238281 24.75629 
1 1 1   19   29   17 o   90.772   16.184   31.323   9.7947  -1.5805   18.192   44.754   11.623   53.489   23.930  109.043   15.866 -55.55409 28.71249 
1 1 1   19   31    0 f  542.517   5.8296  1019.11   21.889  946.829   41.880  1046.28   25.675  522.485   11.581  549.647   6.7492 -27.16119 13.40445 
1 1 1   19   31    1 o  556.321   8.4369  1072.32   32.485   0.0000   0.0000  1072.32   32.485  ?   ?   556.321   8.4369 0.000000 8.436854 
1 1 1   19   31    2 o  133.124   13.030   62.097   11.851   68.348   17.369   56.652   16.211  138.911   18.528  126.134   19.173 12.77685 26.66266 
1 1 1   19   31    3 o   76.276   26.725   18.102   17.425   11.376   25.094   24.366   24.214   77.961   31.023   88.902   31.472 -10.94061 44.19175 
1 1 1   19   31    4 o  248.330   7.8364  213.672   13.469  198.636   19.398  227.668   18.716  239.249   11.715  256.205   10.555 -16.95517 15.76796 
1 1 1   19   31    5 o  357.815   6.3497  443.464   15.725  426.424   22.297  460.327   22.180  350.698   9.1862  364.402   8.7945 -13.70358 12.71725 
1 1 1   19   31    6 o  288.709   7.0146  288.818   14.017  278.716   19.973  298.622   19.675  283.414   10.182  293.398   9.6892 -9.983734 14.05550 
1 1 1   19   31    7 o  426.309   5.9668  629.624   17.605  583.411   24.404  679.778   25.423  410.120   8.5974  442.733   8.2967 -32.61249 11.94782 
1 1 1   19   31    8 o  224.509   9.1846  175.018   14.272  207.268   26.149  161.337   17.032  243.057   15.627  215.049   11.485 28.00719 19.39346 
1 1 1   19   31    9 o   38.977   18.875 -25.3693   15.690 -25.3693   15.690   0.0000   0.0000   38.977   18.875  ?   ?  0.000000 18.87504 
1 1 1   19   31   10 o  192.879   7.9964  129.290   10.675  119.384   15.723  137.760   14.539  184.393   12.392  198.498   10.622 -14.10567 16.32108 
1 1 1   19   31   11 o  266.744   8.7405  247.794   16.136   0.0000   0.0000  247.794   16.136  ?   ?   266.744   8.7405 0.000000 8.740496 
1 1 1   19   31   12 o  111.356   12.543   44.131   9.4983   21.028   14.544   61.311   12.542   76.021   24.394  131.073   14.044 -55.05190 28.14798 
1 1 1   19   31   13 o   85.929   15.893   27.137   9.1040   28.487   13.621   26.046   12.240   86.383   22.543   82.856   21.243 3.526718 30.97536 
1 1 1   19   31   14 o   55.684   19.077   10.660   8.8559  -2.7620   13.229   21.558   11.921   46.635   20.662   75.145   21.705 -28.51033 29.96745 
1 1 1   19   31   15 o   58.967   18.957   12.769   8.7801  -4.5434   12.986   27.350   11.917   44.417   20.017   83.932   20.655 -39.51479 28.76251 
1 1 1   19   31   16 o  117.983   11.232   50.032   9.0610   59.634   13.663   42.494   12.106  126.662   15.938  106.115   17.062 20.54769 23.34814 
1 1 1   19   31   17 o   89.423   14.231   29.951   8.5123   17.567   12.288   41.376   11.803   66.623   22.474  103.877   17.005 -37.25424 28.18250 
1 1 1   19   33    0 o  357.599   6.1661  442.847   15.261  410.293   29.512  454.730   17.830  343.826   12.402  362.322   7.1101 -18.49561 14.29549 
1 1 1   19   33    1 o   77.360   22.317   21.360   12.609   0.0000   0.0000   21.360   12.609  ?   ?    77.360   22.317 0.000000 22.31665 
1 1 1   19   33    2 o  636.839   6.9779  1404.85   30.756   0.0000   0.0000  1404.85   30.756  ?   ?   636.839   6.9779 0.000000 6.977897 
1 1 1   19   33    3 o  197.822   13.933  136.650   18.954  136.650   18.954   0.0000   0.0000  197.822   13.933  ?   ?  0.000000 13.93293 
1 1 1   19   33    4 o  249.084   8.1803  215.038   14.102  191.909   19.712  239.291   20.185  234.775   12.173  262.584   11.106 -27.80919 16.47808 
1 1 1   19   33    5 o  565.282   6.0575  1106.86   23.699  1059.19   33.028  1157.45   34.026  552.703   8.6341  577.786   8.5088 -25.08356 12.12219 
1 1 1   19   33    6 o  188.719   9.7281  123.930   12.663  105.582   17.758  142.914   18.063  173.450   14.938  202.288   12.970 -28.83862 19.78278 
1 1 1   19   33    8 o  177.993   11.359  110.757   13.921   86.000   24.346  122.784   16.968  153.963   23.599  187.129   13.186 -33.16638 27.03330 
1 1 1   19   33    9 o  185.219   9.1049  119.317   11.672  129.299   16.399  109.069   16.616  192.009   12.406  176.005   13.750 16.00479 18.51939 
1 1 1   19   33   10 f  116.309   12.338   47.863   9.7806   44.125   14.881   50.706   12.977  109.608   20.366  118.850   16.198 -9.242500 26.02206 
1 1 1   19   33   11 o  221.325   7.9362  170.507   12.157  190.390   21.510  161.176   14.736  232.248   13.439  214.835   9.9105 17.41298 16.69821 
1 1 1   19   33   12 f  254.513   6.4170  225.217   11.304  244.471   17.103  210.282   15.063  264.479   9.3433  245.409   8.8681 19.06973 12.88177 
1 1 1   19   33   13 o  107.564   12.573   41.437   9.1834   40.252   13.967   42.340   12.188  103.394   20.243  107.324   16.973 -3.929520 26.41680 
1 1 1   19   33   14 o   67.230   18.661   17.097   8.9905   13.642   13.144   20.135   12.325   63.774   23.114   72.706   22.337 -8.932037 32.14355 
1 1 1   19   33   15 o   44.325   18.151   3.3917   8.8696   7.1880   11.900  -1.3537   13.304   53.747   21.371   47.377   20.869 6.370693 29.87043 
1 1 1   19   33   16 o   73.820   17.046   20.978   8.5329   9.7404   12.397   31.096   11.763   56.796   22.041   89.030   19.619 -32.23372 29.50779 
1 1 1   19   33   17 o   62.441   18.445   15.418   8.5234   23.260   12.579   8.7614   11.589   74.745   22.485   53.816   21.187 20.92913 30.89433 
1 1 1   19   35    0 o  444.350   5.9370  683.803   18.259  651.707   35.983  694.933   21.189  433.284   11.999  447.896   6.8353 -14.61200 13.80930 
1 1 1   19   35    1 o  187.936   12.941  123.257   16.731   0.0000   0.0000  123.257   16.731  ?   ?   187.936   12.941 0.000000 12.94147 
1 1 1   19   35    2 o  157.584   12.812   86.826   13.852  108.927   27.522   79.328   16.031  174.835   23.326  150.179   15.653 24.65651 28.09146 
1 1 1   19   35    3 o  488.227   5.9265  825.596   20.026  801.463   41.531  832.908   22.859  480.321   12.493  490.322   6.7360 -10.00079 14.19319 
1 1 1   19   35    4 o  290.090   8.7877  291.827   17.644  285.948   21.299  304.683   31.497  287.005   10.722  295.364   15.461 -8.358643 18.81549 
1 1 1   19   35    5 o   85.776   20.901   26.825   12.294   44.785   17.737   10.218   17.056  110.731   23.849   66.733   25.866 43.99828 35.18224 
1 1 1   19   35    6 o  474.436   8.4206  781.009   27.650   0.0000   0.0000  781.009   27.650  ?   ?   474.436   8.4206 0.000000 8.420646 
1 1 1   19   35    7 o  285.546   8.2529  283.049   16.310  271.604   20.039  305.512   28.074  279.461   10.361  295.845   13.711 -16.38397 17.18492 
1 1 1   19   35    8 o  129.772   14.492   59.684   12.794   53.512   21.997   62.839   15.728  119.626   27.185  132.490   17.586 -12.86430 32.37738 
1 1 1   19   35    9 o  193.150   8.3686  129.736   11.187  118.186   16.269  140.097   15.409  183.300   12.906  200.029   11.175 -16.72954 17.07163 
1 1 1   19   35   10 o   75.802   20.364   21.291   10.911   8.0488   20.717   26.375   12.836   67.974   27.777   84.060   21.858 -16.08646 35.34592 
1 1 1   19   35   11 o  158.899   9.0866   88.402   9.9516   86.876   15.113   89.571   13.223  156.239   14.129  159.245   12.088 -3.005402 18.59386 
1 1 1   19   35   12 o   84.975   16.008   26.560   9.0694   22.198   13.622   30.033   12.155   76.933   23.456   89.285   20.148 -12.35207 30.92119 
1 1 1   19   35   13 o   92.080   20.619   32.324   12.813   32.324   12.813   0.0000   0.0000   92.080   20.619  ?   ?  0.000000 20.61897 
1 1 1   19   35   14 o   30.903   14.868 -13.0973   9.3574 -22.5748   12.673  -1.7366   13.875   33.457   16.370   48.289   21.290 -14.83265 26.85598 
1 1 1   19   35   15 o   47.224   18.116   6.2244   8.3034  -4.5816   12.496   14.769   11.111   43.195   19.535   63.132   21.370 -19.93653 28.95317 
1 1 1   19   35   16 o   43.797   17.626   4.2656   8.1960   4.5915   11.967   3.9777   11.248   50.089   20.852   48.370   20.183 1.719086 29.01949 
1 1 1   19   37    0 o  170.864   15.297  102.436   17.898   0.0000   0.0000  102.436   17.898  ?   ?   170.864   15.297 0.000000 15.29655 
1 1 1   19   37    1 o  219.280   8.3305  166.699   12.643  105.171   25.214  187.365   14.613  171.970   21.665  232.435   9.0834 -60.46466 23.49207 
1 1 1   19   37    2 o  165.462   10.844   95.452   12.350   88.537   27.159   97.255   13.867  156.539   25.978  166.875   12.088 -10.33606 28.65300 
1 1 1   19   37    3 o  390.927   7.0491  529.636   19.072  486.195   35.001  547.983   22.746  373.814   13.528  397.530   8.2673 -23.71622 15.85442 
1 1 1   19   37    4 o  220.497   9.2301  168.727   14.086  129.219   27.637  182.592   16.372  190.669   21.307  229.297   10.316 -38.62762 23.67309 
1 1 1   19   37    5 o  168.284   9.8601   98.704   11.434   98.195   24.829   98.842   12.881  165.477   22.242  168.238   11.125 -2.760223 24.86964 
1 1 1   19   37    6 o  271.769   8.5702  256.458   16.120  253.919   20.353  260.732   26.405  270.140   10.886  272.901   14.027 -2.760620 17.75579 
1 1 1   19   37    7 o  214.966   9.9502  160.796   14.804  135.073   25.578  173.753   18.154  194.681   19.235  222.905   11.809 -28.22400 22.57034 
1 1 1   19   37    8 o  205.138   9.9826  146.596   14.173  104.585   24.276  168.321   17.457  170.165   21.062  219.273   11.544 -49.10799 24.01820 
1 1 1   19   37    9 o  323.613   6.9336  363.801   15.530  322.976   27.456  383.007   18.832  303.434   13.074  331.792   8.2006 -28.35748 15.43271 
1 1 1   19   37   10 o   75.281   18.654   21.040   9.6695   37.763   14.776   8.5144   12.788  100.398   21.882   58.037   22.424 42.36143 31.33188 
1 1 1   19   37   11 o   45.472   18.412   3.5371   9.0026  -0.1857   13.907   6.2224   11.811   50.500   21.800   53.617   21.300 -3.117229 30.47864 
1 1 1   19   37   12 o  190.996   7.6017  127.252   10.049  135.546   15.128  120.703   13.443  195.908   11.203  185.052   10.540 10.85562 15.38182 
1 1 1   19   37   13 o   62.324   18.636   14.476   8.6603   28.240   12.544   1.9429   11.971   85.553   21.275   48.567   20.575 36.98601 29.59645 
1 1 1   19   37   14 o   83.074   15.454   25.730   8.5586   25.234   12.194   26.211   12.015   80.260   21.514   81.903   21.074 -1.643005 30.11564 
1 1 1   19   37   15 o  108.512   11.465   42.483   8.4804   61.933   12.589   26.326   11.474  129.920   14.233   81.651   20.371 48.26887 24.85098 
1 1 1   19   37   16 o   43.877   17.669   4.4060   8.2417  -5.1561   12.627   11.503   10.878   42.298   19.327   57.058   20.975 -14.76012 28.52139 
1 1 1   19   39    0 o  345.205   6.3385  412.908   15.144  364.780   29.988  429.383   17.546  323.755   13.383  351.960   7.2027 -28.20502 15.19822 
1 1 1   19   39    1 o  178.431   9.7802  110.846   12.032   97.659   23.776  115.386   13.950  165.490   21.249  181.900   11.134 -16.40965 23.98955 
1 1 1   19   39    2 o  109.557   15.508   42.686   11.430   53.171   23.289   39.359   13.119  119.983   28.472  104.471   18.837 15.51249 34.13950 
1 1 1   19   39    3 o  287.121   7.9731  285.959   15.844   0.0000   0.0000  285.959   15.844  ?   ?   287.121   7.9731 0.000000 7.973071 
1 1 1   19   39    4 o  236.092   7.6698  193.362   12.533  194.342   27.031  193.094   14.145  235.039   16.726  235.848   8.6653 -0.8088531 18.83735 
1 1 1   19   39    5 o  187.121   11.264  122.340   14.519  132.829   24.394  116.585   18.068  193.511   18.437  182.080   14.457 11.43057 23.42896 
1 1 1   19   39    6 o  368.989   5.9239  472.094   15.129  444.878   31.620  480.174   17.229  356.912   12.800  372.033   6.6910 -15.12103 14.44353 
1 1 1   19   39    7 o   88.036   25.620   28.610   16.554   9.7122   23.481   47.283   23.341   73.134   29.692  111.703   29.684 -38.56867 41.98575 
1 1 1   19   39    8 o   31.358   15.359 -21.5709   11.241 -17.8608   16.380 -24.8731   15.453   43.581   20.600   38.550   18.684 5.030617 27.81145 
1 1 1   19   39    9 f  164.750   9.9849   95.119   11.332   79.544   17.518  106.325   14.859  148.664   17.352  173.637   12.447 -24.97366 21.35449 
1 1 1   19   39   10 o  137.662   10.618   66.758   10.039   63.627   14.971   69.316   13.532  132.677   16.672  139.336   14.231 -6.659714 21.92008 
1 1 1   19   39   11 o  100.068   13.794   36.111   9.2993   28.678   14.054   41.899   12.402   86.575   23.047  106.768   17.382 -20.19308 28.86694 
1 1 1   19   39   12 o  109.901   12.601   43.330   9.4116   39.318   14.421   46.306   12.422  101.522   21.207  112.326   16.467 -10.80341 26.85006 
1 1 1   19   39   13 o   58.522   18.885   12.487   8.7075   17.437   12.879   8.3180   11.818   68.621   23.008   55.341   21.508 13.28009 31.49569 
1 1 1   19   39   14 o   71.638   17.188   19.609   8.4132   28.944   12.407   11.661   11.448   85.780   21.054   58.879   21.536 26.90126 30.11733 
1 1 1   19   39   15 o   56.379   19.136   11.683   8.9098   5.9268   14.988   14.829   11.080   55.514   23.242   62.610   21.340 -7.096199 31.55236 
1 1 1   19   41    0 o  265.790   7.2277  244.981   13.296  247.366   26.277  244.160   15.415  265.890   14.332  265.247   8.3967 0.6426392 16.61028 
1 1 1   19   41    1 o  298.880   8.5187  310.046   17.622  280.488   28.229  328.919   22.556  283.130   14.454  307.593   10.595 -24.46243 17.92118 
1 1 1   19   41    2 o  308.008   6.7215  328.940   14.329  318.683   28.706  332.343   16.536  302.239   13.723  309.502   7.7196 -7.262573 15.74505 
1 1 1   19   41    3 f  154.641   12.519   83.895   13.284   90.585   26.381   81.623   15.375  157.743   24.997  152.107   14.792 5.635437 29.04585 
1 1 1   19   41    4 o  223.348   8.8161  173.322   13.628  169.707   26.649  174.602   15.859  218.993   17.734  224.016   10.228 -5.022858 20.47274 
1 1 1   19   41    5 o  186.310   9.9757  121.158   12.817  128.098   25.150  118.724   14.896  189.384   19.464  184.117   11.751 5.267105 22.73647 
1 1 1   19   41    6 o   72.595   19.635   19.330   10.104   23.937   22.807   18.206   11.270   85.504   30.515   71.000   21.265 14.50421 37.19360 
1 1 1   19   41    7 o  119.520   12.364   50.524   10.080   37.117   21.905   54.125   11.353   99.304   29.625  123.503   13.502 -24.19904 32.55683 
1 1 1   19   41    8 o  226.429   8.0441  178.440   12.606   0.0000   0.0000  178.440   12.606  ?   ?   226.429   8.0441 0.000000 8.044060 
1 1 1   19   41    9 o  148.535   12.215   78.022   12.446   80.537   23.105   76.995   14.773  146.896   23.520  146.838   14.735 0.5830383E-01 27.75407 
1 1 1   19   41   10 o  189.242   8.3058  124.967   10.879  123.471   16.062  126.235   14.786  186.735   12.500  189.199   11.344 -2.463440 16.88026 
1 1 1   19   41   11 o  257.575   6.5619  231.006   11.698  236.143   17.447  226.810   15.767  259.477   9.7149  254.555   8.9495 4.922119 13.20885 
1 1 1   19   41   12 o  206.220   8.1770  148.839   11.671  141.053   15.334  159.561   17.993  199.501   11.150  211.676   12.335 -12.17421 16.62762 
1 1 1   19   41   13 o  139.512   9.6775   68.941   9.2866   62.521   13.956   74.043   12.441  130.359   15.790  143.461   12.660 -13.10242 20.23835 
1 1 1   19   41   14 o   32.836   15.135  -5.2782   7.9775  -5.7577   11.895  -4.8862   10.755   41.038   18.754   39.450   17.952 1.588207 25.96095 
1 1 1   19   41   15 o   38.556   17.528  -4.1786   10.220  -0.2676   11.655 -17.1902   21.259   44.633   19.600   48.811   23.189 -4.178864 30.36245 
1 1 1   19   43    0 o  430.774   6.0843  643.361   18.140  614.146   35.232  653.899   21.160  419.721   12.128  434.151   7.0421 -14.42963 14.02464 
1 1 1   19   43    1 o  104.240   16.091   38.955   11.236   18.000   22.922   45.582   12.890   80.313   30.268  112.722   17.056 -32.40846 34.74268 
1 1 1   19   43    2 o  330.232   8.0123  378.684   18.313  310.927   29.038  423.428   23.597  298.168   14.071  348.905   9.7717 -50.73645 17.13134 
1 1 1   19   43    3 o  345.093   7.0897  413.305   16.933  400.927   31.702  418.246   20.030  338.604   13.528  346.959   8.3412 -8.354431 15.89250 
1 1 1   19   43    4 o  173.919   10.993  105.876   13.165   0.0000   0.0000  105.876   13.165  ?   ?   173.919   10.993 0.000000 10.99317 
1 1 1   19   43    5 o   71.055   20.383   18.414   10.545   24.054   24.498   17.132   11.683   86.698   31.536   69.432   21.817 17.26637 38.34710 
1 1 1   19   43    6 o  245.527   7.4473  209.512   12.655  228.537   26.083  203.654   14.473  254.395   14.879  241.890   8.6450 12.50461 17.20795 
1 1 1   19   43    7 o  234.460   8.0238  191.312   13.021   0.0000   0.0000  191.312   13.021  ?   ?   234.460   8.0238 0.000000 8.023829 
1 1 1   19   43    8 o  125.476   11.360   55.627   9.7584   59.707   22.529   54.685   10.827  124.813   26.875  124.059   12.793 0.7538376 29.76438 
1 1 1   19   43    9 o  114.240   14.991   47.069   11.567   25.010   19.471   59.099   14.379   82.962   28.288  127.656   16.673 -44.69418 32.83571 
1 1 1   19   43   10 o   94.236   13.776   32.130   8.7194   1.6639   19.876   39.391   9.7029   60.625   26.117  104.529   13.745 -43.90387 29.51294 
1 1 1   19   43   11 o   84.633   15.132   26.382   8.5383   14.444   19.007   29.400   9.5569   70.073   27.265   89.139   16.083 -19.06594 31.65458 
1 1 1   19   43   12 o  117.612   10.003   49.101   8.0654   24.234   19.844   54.021   8.8275   80.000   28.472  123.269   10.445 -43.26826 30.32789 
1 1 1   19   43   13 o  104.136   12.420   39.302   8.7749   37.678   12.851   40.720   12.011   98.875   19.472  103.946   17.303 -5.071098 26.04933 
1 1 1   19   43   14 o   75.292   21.633   22.786   11.870   8.0927   13.915   62.049   22.747   56.428   22.876  120.157   27.889 -63.72890 36.07110 
1 1 1   19   45    0 o  274.356   7.1264  261.293   13.532  229.951   26.687  272.140   15.700  255.553   15.156  279.866   8.1053 -24.31238 17.18745 
1 1 1   19   45    1 o  119.501   13.857   50.654   11.248   25.395   22.632   58.939   12.962   87.048   30.460  128.816   14.808 -41.76752 33.86845 
1 1 1   19   45    2 o  236.560   11.896  195.905   19.415  160.781   25.910  240.878   29.319  212.695   17.764  261.115   16.305 -48.42004 24.11212 
1 1 1   19   45    3 o   95.946   17.098   33.411   10.938   29.873   24.313   34.308   12.247   92.412   31.609   96.815   18.955 -4.403336 36.85731 
1 1 1   19   45    4 o  142.855   26.116   76.146   24.870   76.146   24.870   0.0000   0.0000  142.855   26.116  ?   ?  0.000000 26.11649 
1 1 1   19   45    5 o  101.320   15.965   37.079   10.825   17.849   25.455   41.325   11.961   81.345   31.579  106.886   16.715 -25.54176 35.73037 
1 1 1   19   45    6 o  205.626   10.275  147.712   14.623   0.0000   0.0000  147.712   14.623  ?   ?   205.626   10.275 0.000000 10.27461 
1 1 1   19   45    7 o  144.677   10.220   73.553   10.168   64.683   22.360   75.866   11.417  130.525   25.667  146.692   11.333 -16.16673 28.05722 
1 1 1   19   45    8 o   48.711   19.107   5.4199   9.3931  -0.3641   20.761   6.9086   10.533   60.798   26.440   52.550   20.338 8.248795 33.35752 
1 1 1   19   45    9 o  103.967   13.288   38.850   9.3426   43.751   21.284   37.680   10.398  105.049   28.534  101.786   15.228 3.263458 32.34340 
1 1 1   19   45   10 o   49.591   18.907   6.6932   9.0096   13.946   19.169   4.6366   10.207   69.905   27.330   48.721   19.648 21.18370 33.66002 
1 1 1   19   45   11 o  213.697   6.4257  159.194   9.5038  148.585   22.691  161.451   10.466  201.875   16.381  215.051   7.0318 -13.17622 17.82687 
1 1 1   19   45   12 o  129.674   9.1018   59.470   8.1170   66.439   20.881   58.229   8.8099  129.437   24.198  128.015   10.023 1.421509 26.19215 
1 1 1   19   45   13 o   45.070   17.336   5.6098   7.6170   0.0000   0.0000   5.6098   7.6170  ?   ?    45.070   17.336 0.000000 17.33640 
1 1 1   19   45   14 o  158.746   8.8778   89.547   9.7149   97.805   20.427   87.133   11.044  158.944   18.942  155.887   10.294 3.056595 21.55854 
1 1 1   19   47    0 o  145.667   11.636   74.611   11.633   95.220   24.318   68.495   13.248  161.615   22.337  139.038   13.955 22.57686 26.33808 
1 1 1   19   47    1 o  273.002   8.2048  259.200   15.503  236.927   27.221  269.893   18.860  259.013   15.252  278.284   9.7923 -19.27075 18.12481 
1 1 1   19   47    2 o  118.435   14.222   49.962   11.424   70.683   22.458   42.729   13.269  138.022   24.402  108.349   18.350 29.67361 30.53208 
1 1 1   19   47    3 o   49.148   20.021   3.6818   10.720   12.541   22.573   1.1017   12.182   74.037   29.435   49.021   20.761 25.01608 36.02014 
1 1 1   19   47    4 o   95.224   17.444   33.138   11.073   63.854   25.273   25.841   12.319  128.974   29.015   83.235   21.296 45.73907 35.99163 
1 1 1   19   47    5 o   64.727   21.772   14.404   11.532   0.0000   0.0000   14.404   11.532  ?   ?    64.727   21.772 0.000000 21.77161 
1 1 1   19   47    6 o  112.860   13.448   45.500   10.298   24.751   24.453   49.974   11.354   85.899   31.467  118.156   14.166 -32.25751 34.50902 
1 1 1   19   47    7 o   70.277   19.445   18.399   9.7778  -3.6756   20.723   24.721   11.090   58.487   25.890   81.133   19.900 -22.64669 32.65437 
1 1 1   19   47    8 o  106.364   13.503   40.673   9.7164   13.668   20.960   48.065   10.966   71.912   28.435  115.607   13.990 -43.69530 31.69055 
1 1 1   19   47    9 o   87.818   15.257   28.324   8.9365   49.415   20.419   23.327   9.9389  111.700   26.763   78.631   18.561 33.06965 32.56956 
1 1 1   19   47   10 o   71.611   17.588   19.384   8.6535   14.649   20.462   20.415   9.5495   71.207   28.115   73.263   18.754 -2.055717 33.79575 
1 1 1   19   47   11 o   97.188   11.757   34.026   7.7476   69.561   21.064   28.467   8.3316  133.141   23.729   87.989   14.162 45.15186 27.63388 
1 1 1   19   47   12 f   76.452   16.120   22.137   8.2609   0.0000   0.0000   22.137   8.2609  ?   ?    76.452   16.120 0.000000 16.11987 
1 1 1   19   47   13 o   64.668   16.115   16.082   7.1869   16.195   19.902   16.065   7.7069   69.332   27.616   64.415   17.028 4.917274 32.44366 
1 1 1   19   49    0 o  133.466   13.939   63.315   12.686   91.073   23.353   51.694   15.110  157.662   22.001  119.060   18.974 38.60242 29.05244 
1 1 1   19   49    1 o  192.797   9.2845  129.596   12.389   88.341   24.311  144.068   14.399  154.630   23.452  202.851   10.290 -48.22098 25.60976 
1 1 1   19   49    2 o  112.899   14.357   45.601   10.965   27.551   22.322   51.341   12.588   88.091   30.283  119.569   15.581 -31.47798 34.05593 
1 1 1   19   49    3 o  225.417   10.038  177.511   15.661  157.415   25.160  190.221   20.010  209.610   17.503  232.432   12.484 -22.82225 21.49889 
1 1 1   19   49    4 o  156.722   24.352   91.756   25.557   0.0000   0.0000   91.756   25.557  ?   ?   156.722   24.352 0.000000 24.35206 
1 1 1   19   49    5 o  158.499   10.599   88.374   11.560   50.683   25.379   98.241   12.985  113.169   31.333  166.969   11.303 -53.79948 33.30926 
1 1 1   19   49    6 o  142.731   12.464   72.315   12.189   0.0000   0.0000   72.315   12.189  ?   ?   142.731   12.464 0.000000 12.46392 
1 1 1   19   49    7 o   52.597   20.416   6.9652   10.638   5.8878   21.704   7.3058   12.204   66.168   27.850   55.278   21.749 10.88943 35.33558 
1 1 1   19   49    8 o   83.161   18.022   25.953   10.073   36.595   21.377   22.916   11.421   95.791   29.415   77.548   20.834 18.24277 36.04620 
1 1 1   19   49    9 o  120.416   12.726   52.066   10.445   24.185   20.840   61.420   12.071   80.998   29.141  130.585   13.553 -49.58641 32.13879 
1 1 1   19   49   10 o  101.450   17.152   38.478   11.614   57.854   23.129   31.945   13.430  118.347   28.564   90.428   21.729 27.91938 35.88904 
1 1 1   19   49   11 o   43.592   17.107   4.6467   7.5324  -3.5137   19.679   6.0476   8.1533   55.161   24.769   46.768   17.949 8.392834 30.58838 
1 1 1   19   49   12 o   92.718   12.200   31.364   7.6387   34.980   19.824   30.733   8.2779   90.035   28.436   91.249   13.516 -1.213791 31.48480 
1 1 1   19   51    0 o  182.373   9.6450  116.485   12.131  124.878   23.947  113.587   14.070  185.825   18.882  179.667   11.373 6.157593 22.04279 
1 1 1   19   51    1 o  117.903   14.057   49.716   11.245   9.2634   21.662   64.639   13.157   69.649   28.426  134.560   14.348 -64.91016 31.84213 
1 1 1   19   51    2 o   79.793   19.321   23.761   10.557   9.5512   21.544   28.251   12.110   69.671   28.382   86.827   20.483 -17.15575 35.00134 
1 1 1   19   51    3 o   48.968   19.998   3.7526   10.729   8.8488   21.158   1.9885   12.448   68.522   28.044   50.081   21.086 18.44159 35.08675 
1 1 1   19   51    4 o  179.944   9.8029  113.624   12.163   93.171   25.510  119.642   13.837  157.385   24.193  184.365   10.892 -26.98047 26.53214 
1 1 1   19   51    5 o  182.583   9.4592  116.954   11.912  116.098   25.553  117.192   13.465  177.183   21.262  182.421   10.712 -5.237717 23.80825 
1 1 1   19   51    6 o  157.669   10.393   87.655   11.277  119.902   25.232   79.606   12.606  180.029   20.623  149.668   12.278 30.36150 24.00077 
1 1 1   19   51    7 o  128.466   13.513   59.268   11.835   87.707   23.258   49.332   13.748  152.082   22.799  115.539   17.761 36.54295 28.90075 
1 1 1   19   51    8 o  143.844   11.752   73.716   11.598   84.098   21.383   69.389   13.805  149.142   21.322  138.447   14.628 10.69551 25.85752 
1 1 1   19   51    9 o   29.140   14.078 -12.9323   8.6041  -0.2000   21.932 -15.2484   9.3540   60.746   26.775   29.676   14.419 31.06947 30.41034 
1 1 1   19   51   10 o   89.479   19.335   30.887   11.624 -10.2732   22.759   45.413   13.521   55.415   25.550  109.400   18.518 -53.98483 31.55497 
1 1 1   19   51   11 o  103.052   11.888   38.491   8.3234   31.463   22.073   39.655   8.9868   86.128   30.084  104.289   12.714 -18.16077 32.66058 
1 1 1   19   51   12 o  124.289   9.4618   55.176   8.0781   43.166   21.132   57.231   8.7420   97.867   29.076  126.333   10.082 -28.46557 30.77446 
1 1 1   19   53    0 o  167.927   10.253   99.130   11.859   76.537   22.793  107.517   13.887  142.480   23.965  174.551   11.561 -32.07130 26.60730 
1 1 1   19   53    1 o  138.871   12.707   68.536   12.078   55.220   21.948   74.320   14.465  119.180   27.207  144.035   14.717 -24.85476 30.93221 
1 1 1   19   53    2 o  181.543   9.4116  115.571   11.785   91.317   23.410  123.805   13.639  156.571   22.227  187.604   10.547 -31.03233 24.60212 
1 1 1   19   53    3 o  377.956   6.2647  496.791   16.388  414.537   30.397  530.497   19.458  342.573   12.820  390.258   7.2038 -47.68420 14.70550 
1 1 1   19   53    4 o  201.039   11.042  142.547   15.305  150.927   23.458  136.336   20.195  204.449   16.725  195.019   15.079 9.430344 22.51849 
1 1 1   19   53    5 o  109.033   14.776   43.117   10.863   31.410   22.728   46.583   12.368   90.282   30.564  112.867   16.305 -22.58488 34.64068 
1 1 1   19   53    6 o   59.698   20.621   12.295   10.357   7.6439   21.933   13.630   11.749   67.142   28.113   62.850   21.949 4.291595 35.66689 
1 1 1   19   53    7 o  142.575   14.320   73.458   13.940   0.0000   0.0000   73.458   13.940  ?   ?   142.575   14.320 0.000000 14.32008 
1 1 1   19   53    8 o   50.737   19.771   6.7082   10.006   14.595   21.706   4.5801   11.275   71.655   28.738   50.020   20.472 21.63442 35.28434 
1 1 1   19   53    9 o  160.561   9.1026   91.064   10.074   75.805   24.120   94.288   11.087  136.652   26.458  163.100   9.8681 -26.44727 28.23862 
1 1 1   19   53   10 o  145.370   9.8553   75.180   9.8571   0.0000   0.0000   75.180   9.8571  ?   ?   145.370   9.8553 0.000000 9.855332 
1 1 1   19   53   11 o  178.418   7.3735  111.879   9.1053  116.781   22.561  110.925   9.9518  174.171   19.025  177.372   8.1066 -3.201309 20.67987 
1 1 1   19   55    0 o   30.929   15.098 -18.8595   10.592  -0.9907   20.979 -24.9725   12.271   60.248   26.381   31.889   15.704 28.35900 30.70126 
1 1 1   19   55    1 o  167.603   10.117   98.903   11.680   92.683   23.174  101.021   13.524  157.429   21.858  168.932   11.638 -11.50278 24.76336 
1 1 1   19   55    2 o   69.237   28.014   11.078   20.824   0.0000   0.0000   11.078   20.824  ?   ?    69.237   28.014 0.000000 28.01369 
1 1 1   19   55    3 o  198.286   8.6058  137.523   11.810  138.634   22.826  137.117   13.801  195.425   17.047  197.339   10.139 -1.914307 19.83416 
1 1 1   19   55    4 o   65.492   20.673   15.812   10.479 -24.0000   20.008   30.860   12.301   46.046   22.046   90.053   20.230 -44.00660 29.92113 
1 1 1   19   55    5 o  112.438   14.291   45.855   10.870   28.951   23.010   50.711   12.332   86.949   30.691  117.869   15.492 -30.92023 34.37912 
1 1 1   19   55    6 o   71.146   21.655   19.286   11.618   43.502   21.757   9.6263   13.741  102.766   29.211   59.321   23.154 43.44403 37.27441 
1 1 1   19   55    7 o   83.471   20.269   26.967   11.593  -8.7415   22.008   40.680   13.638   55.661   25.464  103.151   19.824 -47.48968 32.27071 
1 1 1   19   55    8 o   43.421   19.038  -1.0097   10.958  -5.1610   22.542   0.2749   12.540   57.917   26.211   47.450   20.592 10.46744 33.33220 
1 1 1   19   55    9 o   59.980   20.636   13.147   10.367   0.0000   0.0000   13.147   10.367  ?   ?    59.980   20.636 0.000000 20.63635 
1 1 1   19   55   10 o   57.784   18.477   12.682   8.3498   19.780   20.110   11.204   9.1784   72.729   28.115   55.643   19.402 17.08661 34.15948 
1 1 1   19   57    0 o   81.751   19.683   25.413   11.004   35.566   22.594   22.256   12.599   94.365   30.417   76.332   22.390 18.03298 37.76936 
1 1 1   19   57    1 o  128.842   15.107   60.208   13.215   0.0000   0.0000   60.208   13.215  ?   ?   128.842   15.107 0.000000 15.10658 
1 1 1   19   57    2 o   41.235   18.373  -3.0896   10.608  -8.5854   21.229  -1.2607   12.246   55.336   25.197   46.094   20.170 9.242058 32.27547 
1 1 1   19   57    3 f   37.277   17.179  -6.9336   10.270 -15.4390   21.474  -4.4115   11.694   51.954   24.248   42.286   19.031 9.668079 30.82438 
1 1 1   19   57    4 o  138.289   11.534   68.156   10.939  101.268   21.831   57.056   12.640  164.732   19.528  125.223   14.876 39.50867 24.54863 
1 1 1   19   57    5 o   60.060   24.527   7.8012   16.138   7.4634   20.213   8.3951   26.803   64.367   26.972   71.498   30.554 -7.131660 40.75554 
1 1 1   19   57    6 o  100.331   15.757   37.313   10.581   78.634   22.907   26.106   11.930  141.222   24.314   81.788   20.975 59.43457 32.11082 
1 1 1   19   57    7 o   38.262   17.472  -5.3562   10.302 -42.0829   22.134   4.8000   11.639   42.179   20.832   50.499   20.750 -8.320095 29.40253 
1 1 1   19   57    8 o   92.271   18.500   32.841   11.403   0.0000   0.0000   32.841   11.403  ?   ?    92.271   18.500 0.000000 18.49999 
1 1 1   19   57    9 o  119.120   12.054   51.567   9.8008   36.790   22.421   55.058   10.897   90.567   30.358  122.637   13.038 -32.07037 33.03919 
1 1 1   19   59    0 o   89.953   21.178   31.288   12.966   0.0000   0.0000   31.288   12.966  ?   ?    89.953   21.178 0.000000 21.17754 
1 1 1   19   59    1 o   57.388   20.914   10.685   10.781   29.337   20.997   4.0058   12.564   86.273   29.375   51.530   21.401 34.74321 36.34463 
1 1 1   19   59    2 o   57.351   20.787   10.802   10.630   9.6293   21.670   11.174   12.198   67.687   28.108   59.455   22.144 8.232079 35.78349 
1 1 1   19   59    3 o  100.184   17.371   37.592   11.608   47.507   22.624   34.049   13.524  106.599   29.608   93.593   21.350 13.00631 36.50289 
1 1 1   19   59    4 o   81.071   19.309   25.315   10.679   30.820   19.719   23.030   12.704   87.116   28.442   76.712   22.478 10.40408 36.25203 
1 1 1   19   59    5 o   67.958   20.617   17.754   10.543   7.4049   21.363   21.087   12.122   64.878   27.485   73.467   22.066 -8.588608 35.24720 
1 1 1   19   59    6 f   58.198   20.453   11.990   10.210   46.151   22.524   3.1551   11.455  103.275   29.837   48.305   20.276 54.97005 36.07429 
1 1 1   19   59    7 o   82.461   19.141   26.607   10.714 -22.8342   22.559   41.007   12.175   48.818   23.383  103.716   17.589 -54.89883 29.25936 
1 1 1   19   59    8 o   69.122   20.309   19.031   10.358  -7.8780   22.666   26.134   11.645   55.121   25.443   80.545   20.758 -25.42418 32.83714 
1 1 1   19   61    0 o   47.854   21.454  -3.8426   14.703  -3.5873   19.919  -4.1483   21.793   55.759   24.986   57.825   26.007 -2.066109 36.06477 
1 1 1   19   61    1 o   77.432   20.031   23.265   10.816   56.244   22.226   13.032   12.381  116.552   27.920   61.786   22.427 54.76535 35.81224 
1 1 1   19   61    2 o   37.783   17.191  -4.8443   9.8593 -25.0781   20.534   1.2176   11.240   45.711   22.001   46.141   19.753 -0.4299278 29.56727 
1 1 1   19   61    3 o   39.363   17.734  -3.7479   10.184   35.132   20.994 -15.7125   11.646   91.427   29.304   34.427   16.569 57.00043 33.66435 
1 1 1   19   61    4 o  131.571   12.240   62.456   11.018   82.146   21.746   55.654   12.780  144.761   22.430  122.702   15.388 22.05898 27.20059 
1 1 1   19   61    5 o  136.069   11.654   66.665   10.869   82.780   22.692   61.867   12.381  143.885   23.606  129.946   13.987 13.93956 27.43865 
1 1 1   19   61    6 o  137.353   15.694   70.357   14.651   89.220   25.293   60.832   17.974  146.660   25.864  123.651   21.799 23.00904 33.82470 
1 1 1   19   63    0 o   79.170   19.134   24.409   10.368   31.873   19.235   21.353   12.309   87.187   28.061   73.471   22.274 13.71584 35.82624 
1 1 1   19   63    1 o  159.544   9.8514   90.458   10.825   82.195   21.102   93.409   12.611  145.089   21.679  161.447   11.358 -16.35805 24.47415 
1 1 1   19   63    2 o   80.928   18.439   25.395   10.098 -10.7268   19.502   38.626   11.803   50.316   23.357  100.730   17.569 -50.41392 29.22691 
1 1 1   19   63    3 o  108.283   15.069   43.610   10.987   61.512   21.370   37.177   12.810  121.421   26.198   97.545   19.654 23.87570 32.75059 
1 1 1   19   63    4 o   36.321   17.149 -10.5958   11.291  -6.3756   20.804 -12.3578   13.443   53.977   24.717   39.450   18.652 14.52675 30.96499 
1 1 1   20    0    0 o  409.655   7.3396  581.398   20.795  581.398   20.795  581.398   20.795  409.655   7.3396  409.655   7.3396 0.000000 0.000000 
1 1 1   20    0    1 o  174.049   10.613  106.032   12.676  106.032   12.676  106.032   12.676  174.049   10.613  174.049   10.613 0.000000 0.000000 
1 1 1   20    0    2 o  182.968   10.516  117.033   13.216  117.033   13.216  117.033   13.216  182.968   10.516  182.968   10.516 0.000000 0.000000 
1 1 1   20    0    3 o  107.400   16.418   42.645   11.357   42.645   11.357   42.645   11.357  107.400   16.418  107.400   16.418 0.000000 0.000000 
1 1 1   20    0    4 o  797.483   9.0401  2202.20   49.882  2202.20   49.882  2202.20   49.882  797.483   9.0401  797.483   9.0401 0.000000 0.000000 
1 1 1   20    0    5 o  929.659   14.208  2994.63   91.370  2994.63   91.370  2994.63   91.370  929.659   14.208  929.659   14.208 0.000000 0.000000 
1 1 1   20    0    6 o   44.484   25.396   8.7794   12.285   8.7794   12.285   8.7794   12.285   44.484   25.396   44.484   25.396 0.000000 0.000000 
1 1 1   20    0    7 o   34.656   22.543  -1.1418   13.022  -1.1418   13.022  -1.1418   13.022   34.656   22.543   34.656   22.543 0.000000 0.000000 
1 1 1   20    0    8 o  263.829   9.2775  241.859   16.893  241.859   16.893  241.859   16.893  263.829   9.2775  263.829   9.2775 0.000000 0.000000 
1 1 1   20    0    9 o   35.715   23.337  -1.7905   14.184  -1.7905   14.184  -1.7905   14.184   35.715   23.337   35.715   23.337 0.000000 0.000000 
1 1 1   20    0   10 o   41.650   26.077   3.3186   15.513   3.3186   15.513   3.3186   15.513   41.650   26.077   41.650   26.077 0.000000 0.000000 
1 1 1   20    0   11 o  149.193   17.176   80.271   17.125   80.271   17.125   80.271   17.125  149.193   17.176  149.193   17.176 0.000000 0.000000 
1 1 1   20    0   12 o  160.060   24.072   95.220   24.887   95.220   24.887   95.220   24.887  160.060   24.072  160.060   24.072 0.000000 0.000000 
1 1 1   20    0   13 o   61.476   30.608   19.711   15.802   19.711   15.802   19.711   15.802   61.476   30.608   61.476   30.608 0.000000 0.000000 
1 1 1   20    0   14 o   56.587   30.187   16.605   16.083   16.605   16.083   16.605   16.083   56.587   30.187   56.587   30.187 0.000000 0.000000 
1 1 1   20    0   15 o   63.076   30.883   21.343   15.978   21.343   15.978   21.343   15.978   63.076   30.883   63.076   30.883 0.000000 0.000000 
1 1 1   20    0   16 o  139.837   25.108   76.878   21.970   76.878   21.970   76.878   21.970  139.837   25.108  139.837   25.108 0.000000 0.000000 
1 1 1   20    0   17 o  246.574   10.732  214.608   18.236  214.608   18.236  214.608   18.236  246.574   10.732  246.574   10.732 0.000000 0.000000 
1 1 1   20    0   18 o   50.258   28.199   14.548   14.800   14.548   14.800   14.548   14.800   50.258   28.199   50.258   28.199 0.000000 0.000000 
1 1 1   20    0   19 o   36.662   23.358   4.3625   13.076   4.3625   13.076   4.3625   13.076   36.662   23.358   36.662   23.358 0.000000 0.000000 
1 1 1   20    2    0 o  192.873   6.9907  128.823   9.3319  122.432   13.129  135.350   13.267  187.682   10.145  197.635   9.6989 -9.953003 14.03521 
1 1 1   20    2    1 o  684.711   8.3612  1624.03   39.624   0.0000   0.0000  1624.03   39.624  ?   ?   684.711   8.3612 0.000000 8.361210 
1 1 1   20    2    2 o  379.893   5.2577  499.615   13.824  470.958   19.053  531.470   20.088  368.767   7.4652  391.744   7.4091 -22.97751 10.51778 
1 1 1   20    2    3 o  536.417   6.1532  996.249   22.844  984.723   27.936  1019.51   39.689  533.237   7.5695  542.381   10.573 -9.144043 13.00315 
1 1 1   20    2    4 o  196.911   7.0858  134.263   9.6568  117.068   13.606  151.718   13.708  183.482   10.761  209.269   9.4646 -25.78731 14.33116 
1 1 1   20    2    5 o  375.834   6.1903  489.035   16.102  499.284   19.745  468.683   27.824  379.710   7.5131  367.751   10.932 11.95972 13.26465 
1 1 1   20    2    6 o  763.062   6.2956  2015.95   33.249  2021.11   47.117  2010.84   46.925  763.848   8.9124  761.905   8.8988 1.942810 12.59437 
1 1 1   20    2    7 o  295.338   5.9259  301.994   12.113  294.554   17.071  309.536   17.190  291.603   8.4586  298.933   8.3083 -7.329468 11.85651 
1 1 1   20    2    8 o  344.832   5.8046  411.728   13.853  406.493   19.483  417.081   19.702  342.536   8.2180  346.968   8.2045 -4.432678 11.61253 
1 1 1   20    2    9 o  103.753   15.024   38.193   10.475   22.108   14.839   54.168   14.788   79.496   24.524  123.460   17.823 -43.96390 30.31640 
1 1 1   20    2   10 o  292.513   6.7677  296.446   13.701  306.193   19.297  286.537   19.457  297.123   9.3838  287.400   9.7816 9.723175 13.55494 
1 1 1   20    2   11 o  635.560   7.0496  1400.15   31.010  1389.27   37.695  1422.93   54.541  632.830   8.6064  639.629   12.320 -6.798889 15.02856 
1 1 1   20    2   12 o  284.099   6.9977  279.958   13.759  276.087   19.420  283.861   19.498  281.793   9.9574  285.746   9.8588 -3.953247 14.01235 
1 1 1   20    2   13 f  424.684   6.8979  626.187   20.275  602.439   34.906  638.280   24.908  415.126   12.149  428.426   8.4000 -13.29999 14.77008 
1 1 1   20    2   14 o  126.975   13.386   57.327   11.587   48.100   16.594   66.106   16.186  113.662   21.888  135.182   17.727 -21.51999 28.16587 
1 1 1   20    2   15 o   48.804   20.740   1.2720   12.227 -16.6537   21.967   9.3190   14.718   52.785   24.598   61.009   23.922 -8.223602 34.31215 
1 1 1   20    2   16 o   92.067   17.844   31.738   10.960   46.269   15.782   18.204   15.231  110.058   21.490   71.369   24.987 38.68903 32.95687 
1 1 1   20    2   17 o   96.634   17.195   35.126   11.079   47.178   15.618   22.919   15.718  110.295   21.230   76.644   25.411 33.65068 33.11293 
1 1 1   20    2   18 o  175.563   9.6065  109.563   11.629  126.540   16.890   94.262   16.034  186.601   13.162  160.021   14.640 26.58006 19.68659 
1 1 1   20    2   19 f  119.715   12.516   52.704   10.217   42.220   13.743   65.658   15.276  102.429   20.104  130.441   17.352 -28.01158 26.55666 
1 1 1   20    4    0 o  137.255   9.1703   65.562   8.6613   53.876   12.125   77.740   12.377  123.761   14.426  149.241   12.086 -25.48031 18.81963 
1 1 1   20    4    1 o  213.326   6.6929  157.581   9.8817  161.661   13.819  153.312   14.136  216.008   9.2437  210.344   9.7097 5.664673 13.40612 
1 1 1   20    4    2 o  385.991   6.0178  515.841   16.076  535.276   20.083  481.171   26.823  393.147   7.3807  372.613   10.401 20.53409 12.75377 
1 1 1   20    4    3 o  105.212   13.409   39.014   9.5425   34.978   11.886   46.332   16.006   98.803   18.046  113.584   21.139 -14.78046 27.79400 
1 1 1   20    4    4 o  395.617   5.9696  541.859   16.346  522.394   19.883  582.439   28.708  388.400   7.3965  409.995   10.117 -21.59503 12.53240 
1 1 1   20    4    5 o  373.366   6.1319  482.630   15.846  489.806   19.596  469.073   26.934  376.089   7.5283  367.922   10.577 8.167389 12.98258 
1 1 1   20    4    6 o  409.535   5.4154  580.614   15.350  561.076   21.282  601.797   22.160  402.512   7.6392  416.861   7.6807 -14.34912 10.83288 
1 1 1   20    4    7 f  195.737   7.6710  132.694   10.392  129.882   14.505  135.661   14.896  193.264   10.888  197.526   10.939 -4.262024 15.43412 
1 1 1   20    4    8 o  134.019   11.132   62.715   10.232   52.247   14.232   73.916   14.722  121.336   17.449  145.124   14.867 -23.78816 22.92371 
1 1 1   20    4    9 o  759.227   6.3777  1996.46   33.513  2016.00   47.827  1977.61   46.973  762.603   9.0614  755.318   8.9855 7.284363 12.76120 
1 1 1   20    4   10 o  207.968   9.9490  150.055   14.320  156.154   17.175  136.146   25.938  211.721   11.767  196.484   19.323 15.23712 22.62451 
1 1 1   20    4   11 o  405.486   6.0648  569.686   17.020  561.140   23.869  578.527   24.277  402.185   8.5748  408.366   8.5895 -6.181854 12.13703 
1 1 1   20    4   12 o  306.596   6.7575  326.014   14.339  327.911   20.491  324.194   20.074  307.137   9.6394  305.411   9.4965 1.725372 13.53148 
1 1 1   20    4   13 o   33.389   16.169 -18.6195   11.513 -20.4027   16.477 -16.9188   16.092   42.562   20.275   43.606   20.553 -1.044628 28.87070 
1 1 1   20    4   14 o  306.056   9.2268  326.775   19.545   0.0000   0.0000  326.775   19.545  ?   ?   306.056   9.2268 0.000000 9.226845 
1 1 1   20    4   15 o   80.258   20.227   24.305   11.231   42.717   16.638   8.8882   15.224  105.724   23.360   61.155   24.218 44.56914 33.64775 
1 1 1   20    4   16 o   46.668   19.581   2.2601   10.676 -23.5577   15.140   27.792   15.056   37.914   18.404   84.382   24.399 -46.46812 30.56121 
1 1 1   20    4   17 o   52.262   20.775   6.6813   11.244  -6.0663   15.550   20.648   16.277   47.626   21.639   73.883   25.832 -26.25754 33.69793 
1 1 1   20    4   18 o  172.391   9.8054  105.785   11.651  122.311   16.839   90.608   16.137  183.279   13.367  156.556   15.080 26.72295 20.15108 
1 1 1   20    4   19 o   73.704   19.502   21.997   10.103   22.764   14.090   21.184   14.494   73.424   24.045   71.234   24.406 2.189308 34.26107 
1 1 1   20    6    0 o  477.015   7.4908  788.037   24.731   0.0000   0.0000  788.037   24.731  ?   ?   477.015   7.4908 0.000000 7.490842 
1 1 1   20    6    1 o  354.027   6.0733  433.948   14.881  413.504   18.054  477.268   26.281  345.539   7.5493  371.106   10.232 -25.56671 12.71575 
1 1 1   20    6    2 o  616.992   6.4819  1318.10   27.679  1330.27   34.235  1295.12   47.036  619.746   7.9814  611.260   11.118 8.485474 13.68617 
1 1 1   20    6    3 o  273.398   6.5756  258.808   12.442  249.133   15.492  276.390   20.884  268.194   8.3462  282.405   10.685 -14.21088 13.55805 
1 1 1   20    6    4 o  280.383   6.5454  272.193   12.702  268.695   15.696  278.829   21.620  278.536   8.1422  283.646   11.013 -5.109619 13.69577 
1 1 1   20    6    5 f  538.677   6.2548  1004.64   23.320  991.024   28.420  1032.68   40.798  534.952   7.6759  545.891   10.798 -10.93884 13.24845 
1 1 1   20    6    6 o  556.307   6.4991  1071.54   25.023  1075.48   30.500  1063.42   43.768  557.258   7.9079  553.885   11.417 3.372559 13.88835 
1 1 1   20    6    7 o  211.391   14.329  155.805   20.840   0.0000   0.0000  155.805   20.840  ?   ?   211.391   14.329 0.000000 14.32884 
1 1 1   20    6    8 o  190.483   8.2362  125.712   10.858  125.711   15.044  125.712   15.688  190.031   11.492  189.983   11.993 0.4820251E-01 16.61016 
1 1 1   20    6    9 o  223.271   8.8910  172.801   13.739  177.847   16.654  162.049   24.309  226.426   10.627  215.157   16.449 11.26932 19.58345 
1 1 1   20    6   10 o  297.302   6.7196  306.239   13.827  299.682   19.361  313.064   19.753  293.927   9.5173  300.418   9.5000 -6.491882 13.44726 
1 1 1   20    6   11 o  194.621   9.2483  131.464   12.457  128.610   17.582  134.340   17.653  191.738   13.332  196.020   13.087 -4.282028 18.68198 
1 1 1   20    6   12 o  190.870   9.2951  126.614   12.279  147.830   17.459  105.846   17.273  205.548   12.329  173.394   14.527 32.15471 19.05387 
1 1 1   20    6   13 o  137.700   13.643   67.115   12.831   68.732   22.373   66.322   15.664  136.148   24.650  136.046   17.007 0.1023254 29.94779 
1 1 1   20    6   14 o  288.484   6.8884  289.322   13.754  270.452   20.023  306.180   18.925  278.105   10.403  296.231   9.2305 -18.12653 13.90739 
1 1 1   20    6   15 o  243.623   7.7561  206.965   13.078  202.277   19.054  211.141   17.982  239.764   11.482  245.263   10.593 -5.499023 15.62254 
1 1 1   20    6   16 o  196.783   10.069  136.578   13.668  128.757   16.643  152.781   23.955  189.981   12.731  204.661   17.067 -14.67996 21.29263 
1 1 1   20    6   17 o   56.100   20.466   10.374   10.329   14.260   15.138   6.9891   14.129   65.458   24.612   56.395   22.980 9.063076 33.67242 
1 1 1   20    6   18 o  115.460   20.883   52.585   16.073   52.585   16.073   0.0000   0.0000  115.460   20.883  ?   ?  0.000000 20.88269 
1 1 1   20    6   19 o   91.013   17.096   32.308   10.373   34.566   14.862   30.163   14.486   89.954   23.583   83.814   23.838 6.139954 33.53241 
1 1 1   20    8    0 o  655.684   5.8201  1488.44   26.412  1452.92   36.729  1526.48   38.009  647.669   8.1937  663.857   8.2725 -16.18726 11.64345 
1 1 1   20    8    1 o  1054.37   8.9971  3851.20   65.655  3824.75   79.977  3905.85  114.975  1050.46   11.000  1060.67   15.662 -10.20923 19.13914 
1 1 1   20    8    2 o  711.702   11.990  1756.10   59.062   0.0000   0.0000  1756.10   59.062  ?   ?   711.702   11.990 0.000000 11.99044 
1 1 1   20    8    3 o  230.632   7.4214  184.197   11.846  187.135   14.994  179.317   19.325  232.419   9.3212  227.086   12.342 5.332382 15.46631 
1 1 1   20    8    4 o  199.960   8.0308  138.475   11.114  120.973   13.597  173.707   19.292  186.545   10.575  223.486   12.523 -36.94038 16.39078 
1 1 1   20    8    5 o  275.320   6.9343  262.467   13.213  270.146   16.509  248.781   22.040  279.277   8.5412  267.895   11.887 11.38196 14.63727 
1 1 1   20    8    6 o  378.276   6.3362  495.438   16.589  485.692   20.284  515.122   28.827  374.486   7.8259  385.527   10.804 -11.04120 13.34024 
1 1 1   20    8    7 o  180.696   9.6946  113.474   12.080  115.400   14.918  109.805   20.589  182.032   11.906  176.941   17.022 5.090851 20.77276 
1 1 1   20    8    8 o  1053.14   11.118  3846.70   81.039  3846.70   81.039   0.0000   0.0000  1053.14   11.118  ?   ?  0.000000 11.11810 
1 1 1   20    8    9 o  544.472   5.7810  1026.64   21.785  1019.50   30.549  1034.02   31.075  542.380   8.1380  546.222   8.2198 -3.842163 11.56687 
1 1 1   20    8   10 o  449.892   5.8554  701.078   18.232  692.626   25.549  709.850   26.027  446.966   8.2588  452.484   8.3108 -5.517975 11.71654 
1 1 1   20    8   11 o  466.361   5.8630  753.574   18.924  767.186   26.830  740.097   26.697  470.271   8.2431  461.879   8.3513 8.391998 11.73420 
1 1 1   20    8   12 o  157.056   12.313   86.545   13.277   95.951   22.544   81.549   16.428  163.596   20.350  151.729   15.879 11.86691 25.81248 
1 1 1   20    8   13 o   52.517   20.406   6.4304   10.636  -4.3063   15.114   16.964   14.970   49.775   22.068   71.435   24.785 -21.66001 33.18580 
1 1 1   20    8   14 o   47.830   19.732   2.9350   10.579 -16.0780   15.236   20.634   14.700   42.170   19.913   75.631   24.550 -33.46166 31.61093 
1 1 1   20    8   15 o   97.538   19.469   35.610   12.683   55.902   23.733   27.498   15.005  118.582   29.128   84.716   24.317 33.86634 37.94421 
1 1 1   20    8   16 o  139.509   11.616   69.317   11.114   70.441   15.845   68.228   15.592  138.531   16.875  136.306   16.890 2.224899 23.87552 
1 1 1   20    8   17 o   48.309   20.338   2.8025   11.579   11.173   14.741 -10.6829   18.711   61.518   23.990   49.665   22.992 11.85336 33.22918 
1 1 1   20    8   18 o  125.661   12.539   57.475   10.759   73.488   15.581   42.879   14.876  139.935   16.399  103.577   21.457 36.35852 27.00551 
1 1 1   20    8   19 o   57.347   26.393  -3.9980   24.136   0.0000   0.0000  -3.9980   24.136  ?   ?    57.347   26.393 0.000000 26.39330 
1 1 1   20   10    0 f  113.992   11.441   45.494   8.9050   47.482   12.682   43.559   12.507  115.818   16.269  110.745   16.849 5.073204 23.42168 
1 1 1   20   10    1 o  497.405   6.1754  856.599   21.260  847.965   26.090  873.659   36.675  494.829   7.6181  502.099   10.554 -7.270416 13.01594 
1 1 1   20   10    2 o  315.395   10.753  344.732   23.474   0.0000   0.0000  344.732   23.474  ?   ?   315.395   10.753 0.000000 10.75350 
1 1 1   20   10    3 o  493.151   6.1830  841.991   21.103  849.921   26.192  827.317   35.630  495.407   7.6389  488.620   10.536 6.787750 13.01359 
1 1 1   20   10    4 o  700.869   5.9984  1700.62   29.097  1722.53   41.747  1679.92   40.577  705.213   8.5533  696.446   8.4182 8.767090 12.00099 
1 1 1   20   10    5 o  861.200   6.7750  2568.02   40.382  2571.96   57.320  2564.13   56.900  861.616   9.6120  860.309   9.5561 1.307373 13.55399 
1 1 1   20   10    6 o  636.100   5.8014  1400.85   25.541  1420.57   36.722  1382.37   35.546  640.413   8.2850  631.755   8.1296 8.658569 11.60738 
1 1 1   20   10    7 o  742.636   7.2428  1910.08   37.227  1923.41   45.879  1884.39   63.695  745.068   8.8969  737.033   12.486 8.035583 15.33191 
1 1 1   20   10    8 o  318.817   8.3987  352.212   18.532  349.756   25.365  355.024   27.143  317.518   11.542  319.849   12.261 -2.331329 16.83913 
1 1 1   20   10    9 o  517.896   6.6267  929.106   23.753  931.029   29.226  925.366   40.769  518.299   8.1472  516.346   11.408 1.952637 14.01852 
1 1 1   20   10   10 o  481.473   5.8634  802.994   19.539  806.716   27.486  799.191   27.780  482.360   8.2331  480.091   8.3605 2.269012 11.73383 
1 1 1   20   10   11 o  121.832   14.056   52.418   11.635   36.850   16.335   68.447   16.576  100.167   23.896  138.751   17.661 -38.58373 29.71447 
1 1 1   20   10   12 o  180.392   9.5088  113.476   11.830  103.403   17.067  122.792   16.412  171.281   14.534  187.120   12.749 -15.83849 19.33322 
1 1 1   20   10   13 o   72.912   20.541   19.529   10.809   22.304   15.387   16.824   15.187   78.756   25.071   71.370   24.953 7.386734 35.37259 
1 1 1   20   10   14 o  243.723   7.5157  206.751   12.678  206.079   18.031  207.409   17.829  242.600   10.738  243.423   10.583 -0.8229523 15.07667 
1 1 1   20   10   15 o  139.983   13.992   70.216   13.374   64.777   16.625   80.195   22.517  132.671   18.617  145.720   23.097 -13.04868 29.66583 
1 1 1   20   10   16 o  152.280   15.082   84.093   15.686   80.634   23.266   86.976   21.240  144.189   24.169  151.937   20.740 -7.748306 31.84778 
1 1 1   20   10   17 o   59.013   20.812   12.242   10.579   12.700   15.299   11.823   14.644   63.650   24.546   62.068   23.992 1.582073 34.32377 
1 1 1   20   10   18 o   52.849   20.338   8.4877   10.487   27.950   15.034  -9.9571   14.635   81.896   24.568   42.910   20.024 38.98575 31.69467 
1 1 1   20   10   19 o   34.521   16.528 -12.6802   11.248 -12.6537   20.501 -12.6916   13.454   49.020   23.133   38.646   18.385 10.37410 29.54904 
1 1 1   20   12    0 o  1017.50   7.6179  3585.28   53.647  3552.20   75.234  3619.50   76.518  1012.44   10.737  1021.97   10.818 -9.534607 15.24158 
1 1 1   20   12    1 f  453.562   7.5790  712.402   23.792  719.512   34.360  705.854   32.976  455.648   10.895  451.323   10.557 4.325500 15.17084 
1 1 1   20   12    2 o  513.242   6.2452  912.000   22.184  945.909   28.027  855.122   36.299  522.630   7.7484  496.762   10.558 25.86746 13.09588 
1 1 1   20   12    3 o  530.356   5.4741  973.724   20.093  980.379   28.608  967.245   28.229  532.069   7.7686  528.495   7.7175 3.573486 10.95035 
1 1 1   20   12    4 o  894.408   6.9382  2769.93   42.950  2779.14   61.138  2760.94   60.350  895.633   9.8630  892.705   9.7677 2.927551 13.88110 
1 1 1   20   12    5 o  533.300   7.7234  984.946   28.507   0.0000   0.0000  984.946   28.507  ?   ?   533.300   7.7234 0.000000 7.723371 
1 1 1   20   12    6 o  234.419   8.0078  190.335   12.992  185.676   16.041  199.219   22.150  231.474   10.013  239.261   13.430 -7.786804 16.75212 
1 1 1   20   12    7 o  510.159   5.6112  901.119   19.812  905.366   28.306  897.040   27.740  511.224   8.0000  508.876   7.8763 2.347809 11.22656 
1 1 1   20   12    8 o  263.208   6.8486  239.963   12.476  253.049   17.609  226.772   17.679  270.179   9.4169  255.739   9.9880 14.44017 13.72725 
1 1 1   20   12    9 o  606.966   5.9869  1275.98   25.151  1319.89   36.231  1235.16   34.940  617.055   8.4837  596.924   8.4572 20.13147 11.97905 
1 1 1   20   12   10 o   56.407   22.327   6.1600   12.934   5.0852   15.690   8.4390   22.847   59.601   24.244   72.487   29.338 -12.88557 38.05893 
1 1 1   20   12   11 o  306.465   8.7659  326.018   18.593  332.683   25.646  318.634   26.996  309.169   11.985  302.434   12.897 6.734924 17.60614 
1 1 1   20   12   12 o   85.514   19.223   26.833   11.101   27.262   15.176   26.339   16.279   86.094   24.369   85.076   25.575 1.017639 35.32654 
1 1 1   20   12   13 f  255.473   7.2782  226.823   12.869  224.610   17.846  229.220   18.575  253.712   10.163  256.237   10.474 -2.524658 14.59416 
1 1 1   20   12   14 o  176.242   11.295  109.376   13.705  126.195   25.363  102.439   16.288  186.107   20.005  169.753   13.988 16.35417 24.41040 
1 1 1   20   12   15 o  162.511   10.304   93.087   11.530  112.418   16.526   74.755   16.093  177.522   13.553  143.467   16.508 34.05536 21.35921 
1 1 1   20   12   16 o  199.373   8.3351  139.248   11.502  154.112   16.648  125.678   15.908  208.265   11.596  187.696   12.314 20.56827 16.91448 
1 1 1   20   12   17 o   76.662   21.842   23.230   12.150   12.605   22.117   27.823   14.541   69.295   28.553   83.070   23.965 -13.77511 37.27711 
1 1 1   20   12   18 o   51.732   20.374   7.4813   10.720 -13.0141   14.933   29.281   15.400   41.622   19.673   83.467   24.827 -41.84428 31.67627 
1 1 1   20   12   19 f   56.073   19.833   11.885   9.6145   12.431   13.726   11.360   13.472   59.466   23.161   58.047   22.846 1.418728 32.53257 
1 1 1   20   14    0 o  553.357   5.5809  1060.03   21.374  1014.07   29.691  1109.48   30.795  541.125   7.9276  566.013   7.8609 -24.88776 11.16426 
1 1 1   20   14    1 o  614.713   6.6249  1308.33   28.186  1296.74   34.473  1331.71   48.954  611.902   8.1399  619.864   11.411 -7.961121 14.01657 
1 1 1   20   14    2 o  329.245   10.885  375.659   24.803   0.0000   0.0000  375.659   24.803  ?   ?   329.245   10.885 0.000000 10.88457 
1 1 1   20   14    3 o  616.734   5.7203  1316.77   24.417  1308.64   34.627  1324.81   34.436  614.704   8.1390  618.498   8.0445 -3.793457 11.44366 
1 1 1   20   14    4 o  324.209   5.6760  363.888   12.736  360.544   18.218  367.084   17.813  322.649   8.1580  325.570   7.9053 -2.921112 11.35987 
1 1 1   20   14    5 o  199.190   14.437  138.390   19.768   0.0000   0.0000  138.390   19.768  ?   ?   199.190   14.437 0.000000 14.43679 
1 1 1   20   14    6 o  559.027   5.6501  1081.97   21.861  1074.53   30.984  1089.36   30.849  556.966   8.0376  560.803   7.9479 -3.836914 11.30362 
1 1 1   20   14    7 o  175.692   9.0488  107.254   10.966  120.050   16.121   96.234   14.960  185.573   12.627  165.999   13.128 19.57423 18.21500 
1 1 1   20   14    8 o  574.971   8.1456  1145.60   32.415   0.0000   0.0000  1145.60   32.415  ?   ?   574.971   8.1456 0.000000 8.145588 
1 1 1   20   14    9 o  335.842   7.1576  390.817   16.637  363.610   27.327  406.841   20.972  323.548   12.203  342.543   8.8459 -18.99524 15.07215 
1 1 1   20   14   10 o  212.507   9.5348  156.724   14.024  166.000   23.214  151.394   17.598  217.655   15.511  208.311   12.260 9.344025 19.77139 
1 1 1   20   14   11 o   72.540   22.745   18.483   12.705   22.197   15.559   11.049   22.013   79.488   25.201   73.286   29.089 6.201950 38.48765 
1 1 1   20   14   12 o  258.603   8.3068  232.418   14.868  225.183   18.027  247.805   26.290  254.265   10.244  265.531   14.359 -11.26675 17.63845 
1 1 1   20   14   13 o   76.818   19.790   21.880   10.587   41.451   14.824   1.5070   15.124  105.797   20.986   54.451   23.101 51.34589 31.20968 
1 1 1   20   14   14 o  144.427   12.935   74.079   12.793   60.694   15.674  100.781   22.138  129.008   18.049  166.128   19.633 -37.11958 26.66906 
1 1 1   20   14   15 f   38.316   17.524  -6.1914   10.414   2.2323   14.627 -14.8490   14.829   53.468   22.702   41.681   19.671 11.78716 30.03927 
1 1 1   20   14   16 f  147.069   10.829   76.843   10.945  101.004   16.183   56.474   14.859  167.288   14.109  123.102   17.969 44.18608 22.84639 
1 1 1   20   14   17 o  104.908   14.835   40.689   10.471   37.059   14.653   44.478   14.969   96.382   22.393  106.598   21.036 -10.21660 30.72425 
1 1 1   20   14   18 o   33.737   16.304 -15.9926   11.565 -35.7951   21.013  -7.3877   13.852   41.752   20.559   43.030   19.872 -1.277851 28.59361 
1 1 1   20   14   19 o   43.964   18.551   3.0560   9.6688   18.681   13.797 -12.0235   13.554   67.017   23.753   39.010   18.527 28.00687 30.12430 
1 1 1   20   16    0 o  784.535   6.4851  2131.00   35.213  2006.32   47.794  2279.05   52.080  761.059   9.0735  811.122   9.2770 -50.06244 12.97652 
1 1 1   20   16    1 o  469.013   5.4405  761.495   17.660  712.249   24.280  816.819   25.735  453.514   7.7354  485.669   7.6560 -32.15561 10.88345 
1 1 1   20   16    2 o  476.421   6.2053  785.821   20.461  798.512   25.414  762.439   34.497  480.196   7.6469  469.075   10.626 11.12131 13.09134 
1 1 1   20   16    3 o  352.578   8.0117  430.517   19.551  430.517   19.551   0.0000   0.0000  352.578   8.0117  ?   ?  0.000000 8.011730 
1 1 1   20   16    4 o  492.381   6.3243  839.396   21.552  844.232   26.645  830.244   36.654  493.734   7.7973  489.454   10.820 4.279205 13.33686 
1 1 1   20   16    5 o   81.211   17.506   23.798   9.5500   22.478   13.741   25.032   13.282   79.644   23.390   83.374   22.497 -3.729698 32.45285 
1 1 1   20   16    6 o  602.167   5.8066  1255.48   24.200  1265.94   34.709  1245.59   33.759  604.503   8.2960  599.637   8.1344 4.865356 11.61857 
1 1 1   20   16    7 o  329.701   6.0390  376.425   13.780  371.438   19.642  381.260   19.338  327.392   8.6685  331.706   8.4234 -4.313354 12.08707 
1 1 1   20   16    8 o  490.635   5.7384  833.638   19.486  837.693   27.701  829.667   27.416  491.647   8.1409  489.289   8.0959 2.357117 11.48114 
1 1 1   20   16    9 o   73.739   24.846   17.917   15.020   13.590   20.392   23.049   22.206   74.283   28.415   85.640   30.158 -11.35725 41.43584 
1 1 1   20   16   10 o  330.520   6.3955  378.570   14.630  385.899   21.024  371.689   20.372  333.466   9.1094  327.280   8.9935 6.185455 12.80093 
1 1 1   20   16   11 o  307.609   6.6493  328.136   14.156  316.088   20.008  340.213   20.032  301.568   9.5862  312.912   9.2497 -11.34375 13.32108 
1 1 1   20   16   12 o  141.159   13.653   70.441   13.172   56.412   16.124   98.585   22.838  124.780   19.293  165.357   20.387 -40.57702 28.06806 
1 1 1   20   16   13 o  290.007   9.7829  293.546   19.636  285.659   27.873  301.317   27.667  284.767   14.142  292.641   13.660 -7.873535 19.66208 
1 1 1   20   16   14 o   62.646   22.390   12.747   12.284   10.713   15.333   16.390   20.524   63.419   24.540   74.482   28.503 -11.06358 37.61182 
1 1 1   20   16   15 o   38.202   17.410  -5.5987   10.164 -21.2105   14.422   9.8117   14.328   37.688   18.212   60.664   23.653 -22.97546 29.85238 
1 1 1   20   16   16 o   50.617   20.008   6.2139   10.373   1.9322   15.007   10.131   14.354   53.117   22.784   60.365   23.637 -7.247974 32.83020 
1 1 1   20   16   17 o  132.771   13.678   64.329   12.389   53.366   20.798   70.358   15.424  112.814   26.998  137.325   16.563 -24.51097 31.67341 
1 1 1   20   16   18 o  136.689   11.049   67.447   10.363   59.526   14.580   75.535   14.733  124.685   17.367  142.174   15.208 -17.48940 23.08433 
1 1 1   20   16   19 o   48.677   20.034   5.7974   10.873   7.8829   19.937   4.9144   12.973   59.643   25.924   50.349   21.379 9.294834 33.60232 
1 1 1   20   18    0 o  432.288   6.3798  646.991   19.088  655.105   23.895  632.683   31.730  434.934   7.9379  427.296   10.729 7.637482 13.34645 
1 1 1   20   18    1 o  553.677   5.5932  1061.25   21.434  1000.12   29.388  1130.73   31.329  537.394   7.9012  571.408   7.9217 -34.01422 11.18848 
1 1 1   20   18    2 o  344.779   6.5991  411.579   15.747  404.901   19.242  425.122   27.401  341.924   8.1312  350.229   11.304 -8.305450 13.92462 
1 1 1   20   18    3 o  671.041   6.9459  1559.21   32.260  1549.42   39.119  1580.00   57.031  668.837   8.4507  675.082   12.206 -6.244629 14.84606 
1 1 1   20   18    4 o  363.314   5.6305  456.974   14.158  440.908   19.899  473.447   20.149  356.792   8.0581  369.730   7.8739 -12.93854 11.26636 
1 1 1   20   18    5 o  487.530   5.5898  822.904   18.861  811.053   26.853  834.443   26.498  483.889   8.0181  490.829   7.8003 -6.940399 11.18635 
1 1 1   20   18    6 f  739.017   6.3035  1891.24   32.242  1871.94   45.580  1910.57   45.613  734.984   8.9602  742.539   8.8756 -7.554382 12.61191 
1 1 1   20   18    7 o  318.335   8.7656  351.217   19.313   0.0000   0.0000  351.217   19.313  ?   ?   318.335   8.7656 0.000000 8.765578 
1 1 1   20   18    8 o  133.942   13.950   63.034   12.743   51.463   21.452   69.342   15.840  118.670   26.758  140.132   16.658 -21.46174 31.51926 
1 1 1   20   18    9 o  162.880   10.620   92.492   11.907  108.455   17.040   77.262   16.644  175.975   14.109  147.943   16.538 28.03186 21.73873 
1 1 1   20   18   10 o  266.354   7.2971  245.995   13.452  251.412   19.294  240.871   18.765  269.001   10.363  263.308   10.297 5.692810 14.60891 
1 1 1   20   18   11 o  304.830   6.6139  322.294   13.954  298.449   19.668  346.462   19.800  292.952   9.7002  315.737   9.0609 -22.78418 13.27383 
1 1 1   20   18   12 o  180.812   9.4867  114.181   11.830  108.080   16.561  120.537   16.905  175.003   13.785  184.992   13.292 -9.988861 19.14963 
1 1 1   20   18   13 o  278.072   9.7441  270.008   18.753  270.008   18.753   0.0000   0.0000  278.072   9.7441  ?   ?  0.000000 9.744069 
1 1 1   20   18   14 f  140.667   13.203   70.517   12.704   80.867   15.607   50.195   21.868  150.028   15.242  112.995   28.085 37.03215 31.95426 
1 1 1   20   18   15 o  203.331   8.3828  144.651   11.797  181.911   17.071  110.595   16.321  227.182   10.857  175.792   13.518 51.39011 17.33810 
1 1 1   20   18   16 o   42.950   19.038  -2.2683   11.242   0.6317   18.771  -3.8904   14.038   57.179   24.998   46.740   20.958 10.43961 32.62098 
1 1 1   20   18   17 o  211.275   8.1134  157.024   11.864  153.144   17.185  160.558   16.399  206.298   12.088  211.801   11.227 -5.502945 16.49788 
1 1 1   20   18   18 o  123.824   11.770   55.821   9.9656   71.696   13.995   39.494   14.194  138.555   14.825   98.466   21.436 40.08894 26.06240 
1 1 1   20   20    0 o  604.374   5.7839  1264.54   24.194  1194.95   32.974  1345.69   35.607  587.395   8.1109  623.335   8.2535 -35.94006 11.57183 
1 1 1   20   20    1 o  345.931   6.6754  414.344   15.982  404.442   19.559  434.244   27.727  341.724   8.2697  353.962   11.318 -12.23874 14.01717 
1 1 1   20   20    2 o  174.458   12.625  106.082   15.142  106.082   15.142   0.0000   0.0000  174.458   12.625  ?   ?  0.000000 12.62549 
1 1 1   20   20    3 f  167.904   10.677   98.099   12.343   98.549   15.328   97.268   20.819  168.038   13.288  166.283   18.398 1.755081 22.69505 
1 1 1   20   20    4 o  757.310   6.3864  1985.85   33.474  1958.18   46.949  2014.47   47.739  751.797   9.0230  762.523   9.0457 -10.72571 12.77652 
1 1 1   20   20    5 o  278.051   6.6069  267.732   12.715  255.159   18.236  279.625   17.736  271.333   9.7109  284.073   9.0210 -12.73996 13.25442 
1 1 1   20   20    6 f  493.042   5.6651  841.726   19.332  842.769   27.738  840.740   26.958  493.193   8.1260  492.615   7.9067 0.5780029 11.33787 
1 1 1   20   20    7 o  277.814   7.7415  267.431   14.885  279.659   25.386  261.024   18.376  283.769   12.926  274.367   9.6768 9.402344 16.14663 
1 1 1   20   20    8 o  310.301   6.6539  333.580   14.290  348.670   20.900  320.332   19.583  317.056   9.5243  303.914   9.3100 13.14209 13.31873 
1 1 1   20   20    9 o  455.331   5.8644  718.238   18.481  731.502   26.819  706.243   25.503  459.253   8.4374  451.286   8.1652 7.967041 11.74139 
1 1 1   20   20   10 o  201.335   10.420  141.284   14.471  136.054   17.720  151.756   25.074  197.158   13.060  207.350   17.639 -10.19156 21.94768 
1 1 1   20   20   11 o   66.401   21.229   15.387   11.022   18.173   15.624   12.627   15.552   73.856   25.338   66.991   24.993 6.865089 35.59082 
1 1 1   20   20   12 o  415.926   6.8805  600.889   19.807  573.380   24.354  654.634   34.041  405.852   8.6700  432.743   11.366 -26.89139 14.29492 
1 1 1   20   20   13 o  182.601   9.0856  116.358   11.482  126.953   16.465  106.326   16.022  189.601   12.619  173.195   13.472 16.40639 18.45884 
1 1 1   20   20   14 o   62.163   20.669   13.630   10.396   1.9175   14.681   25.410   14.723   53.449   22.721   81.691   24.269 -28.24234 33.24492 
1 1 1   20   20   15 o  193.999   10.190  132.822   13.634  147.755   16.770  103.707   23.416  203.918   11.934  166.256   20.805 37.66272 23.98500 
1 1 1   20   20   16 o  173.154   9.5567  106.037   11.409  120.229   16.277   92.330   15.995  182.809   12.948  159.213   14.681 23.59630 19.57531 
1 1 1   20   20   17 o   36.830   16.970  -6.0781   10.016   9.4118   14.828 -19.0758   13.583   58.909   23.708   36.355   17.595 22.55420 29.52344 
1 1 1   20   20   18 o  132.068   11.210   63.279   10.150   72.001   14.937   55.796   13.835  137.829   15.953  120.414   17.080 17.41479 23.37119 
1 1 1   20   22    0 o  319.496   7.0899  353.471   15.678  341.660   19.272  376.585   26.959  314.056   8.8661  329.590   11.818 -15.53384 14.77419 
1 1 1   20   22    1 o  276.444   7.3816  264.647   14.123  245.657   17.122  305.073   24.982  266.287   9.2903  296.629   12.168 -30.34274 15.30940 
1 1 1   20   22    2 o   29.713   14.529 -19.0916   9.9317 -10.0033   14.328 -27.4961   13.779   44.854   20.530   34.567   16.946 10.28710 26.62036 
1 1 1   20   22    3 o  663.519   6.9794  1524.60   32.052  1500.59   38.813  1576.10   56.834  658.160   8.5205  674.150   12.181 -15.99023 14.86502 
1 1 1   20   22    4 o  265.796   6.8959  244.663   12.686  236.023   18.127  252.954   17.759  260.952   10.037  270.172   9.4974 -9.220001 13.81796 
1 1 1   20   22    5 o  336.553   6.1338  392.232   14.288  392.090   20.489  392.366   19.934  336.375   8.8009  336.506   8.5590 -0.1308594 12.27648 
1 1 1   20   22    6 o  238.016   8.3017  196.318   13.676  153.268   23.061  219.670   16.985  209.307   16.041  251.708   9.7495 -42.40176 18.77170 
1 1 1   20   22    7 o  192.122   8.9991  127.973   11.966  138.955   17.464  118.254   16.429  199.611   12.707  184.044   12.981 15.56659 18.16501 
1 1 1   20   22    8 o  181.220   9.6813  114.264   12.099   95.546   17.611  130.995   16.650  164.884   15.618  193.746   12.483 -28.86259 19.99406 
1 1 1   20   22    9 o  470.761   5.8404  767.828   19.029  762.675   27.185  772.778   26.646  468.884   8.3770  472.010   8.1564 -3.125397 11.69194 
1 1 1   20   22   10 o  126.451   13.233   56.384   11.410   63.704   16.430   49.566   15.857  133.452   18.268  116.951   20.328 16.50140 27.33022 
1 1 1   20   22   11 o   52.168   20.466   5.9147   10.777   9.5565   15.584   2.5761   14.921   63.442   24.687   55.394   23.190 8.048355 33.87083 
1 1 1   20   22   12 o  212.413   8.1979  157.033   12.052  181.307   17.240  133.831   16.855  227.735   10.938  194.959   12.558 32.77542 16.65351 
1 1 1   20   22   13 o  247.571   7.2602  213.327   12.440  194.202   17.494  232.892   17.694  235.411   10.737  258.036   9.9074 -22.62453 14.60964 
1 1 1   20   22   14 f  180.949   9.2637  114.947   11.563  113.050   16.687  116.699   16.037  177.972   13.651  181.138   12.876 -3.165939 18.76532 
1 1 1   20   22   15 o  106.084   14.946   41.155   10.669   33.122   15.194   48.970   14.986   91.717   23.748  113.820   19.739 -22.10280 30.88040 
1 1 1   20   22   16 f   42.762   19.323  -4.4989   12.199  -4.6482   14.874  -4.1922   21.320   47.364   21.376   56.876   25.638 -9.511620 33.38018 
1 1 1   20   22   17 o   87.506   20.510   30.531   12.205   18.532   14.603   58.341   22.231   69.141   24.444  116.092   27.994 -46.95118 37.16410 
1 1 1   20   22   18 o  124.517   11.882   56.751   10.116   57.046   14.282   56.454   14.330  121.147   17.544  120.371   17.732 0.7760849 24.94447 
1 1 1   20   24    0 o  609.916   6.8432  1288.17   28.887  1311.95   35.958  1244.88   48.510  615.416   8.4421  599.203   11.697 16.21344 14.42531 
1 1 1   20   24    1 o  370.669   5.8894  475.702   15.109  461.903   21.305  489.665   21.431  365.159   8.4297  375.981   8.2355 -10.82239 11.78493 
1 1 1   20   24    2 o  620.007   5.9245  1330.96   25.423  1279.75   35.280  1386.29   36.667  607.801   8.3868  632.597   8.3747 -24.79578 11.85218 
1 1 1   20   24    3 o  296.444   7.6321  304.393   15.659  274.830   18.987  367.268   27.690  281.599   9.7419  325.384   12.295 -43.78525 15.68699 
1 1 1   20   24    4 o  179.152   9.4453  111.549   11.670  111.701   16.551  111.397   16.458  178.878   13.467  178.639   13.409 0.2387543 19.00456 
1 1 1   20   24    5 o  517.268   6.5812  926.709   23.561  907.317   40.545  936.596   28.951  511.392   11.455  519.912   8.0457 -8.520172 13.99833 
1 1 1   20   24    6 o  159.883   10.691   89.077   11.763   88.033   17.092   90.017   16.212  158.285   15.814  160.226   14.786 -1.941132 21.64978 
1 1 1   20   24    7 o  403.375   6.0124  563.592   16.785  548.519   23.963  578.113   23.519  397.744   8.7049  408.366   8.3215 -10.62250 12.04248 
1 1 1   20   24    8 o  215.224   8.3201  160.640   12.394  181.818   18.053  141.760   17.045  228.759   11.402  201.561   12.277 27.19794 16.75493 
1 1 1   20   24    9 o   78.411   19.782   22.438   10.735   7.3328   15.327   36.982   15.040   61.176   24.276  100.500   22.213 -39.32354 32.90532 
1 1 1   20   24   10 o  173.610   9.6540  105.146   11.554  122.702   16.826   89.482   15.894  186.995   13.083  159.249   14.583 27.74612 19.59139 
1 1 1   20   24   11 o  178.508   11.158  111.683   13.716  110.536   17.168  113.707   22.806  176.910   14.139  178.104   18.784 -1.193588 23.51126 
1 1 1   20   24   12 o  148.271   10.856   77.308   11.063   71.518   16.223   82.342   15.126  140.955   16.971  152.113   14.545 -11.15810 22.35060 
1 1 1   20   24   13 o   49.255   19.884   4.4458   10.465   5.5157   15.621   3.5744   14.096   58.398   24.021   54.266   22.614 4.132656 32.99129 
1 1 1   20   24   14 o  165.151   10.884   96.437   12.372   91.805   21.473   98.739   15.136  157.136   20.213  166.273   13.263 -9.136673 24.17576 
1 1 1   20   24   15 o  117.349   13.582   49.870   10.828   49.276   15.561   50.429   15.076  113.570   20.553  115.404   19.574 -1.834427 28.38286 
1 1 1   20   24   16 o   36.424   16.729  -5.7227   9.6272   1.6704   14.405 -11.6903   12.942   51.436   22.196   39.199   18.463 12.23714 28.87078 
1 1 1   20   24   17 o   30.824   14.873 -13.2815   9.5341   7.1191   14.438 -29.0543   12.696   55.723   23.026   30.578   15.218 25.14480 27.60014 
1 1 1   20   24   18 o   98.796   20.560   40.062   13.601   40.062   13.601   0.0000   0.0000   98.796   20.560  ?   ?  0.000000 20.55958 
1 1 1   20   26    0 o  450.729   5.8378  703.412   18.211  671.901   25.464  736.407   26.056  440.394   8.3542  461.061   8.1653 -20.66714 11.68180 
1 1 1   20   26    1 o  466.022   5.8211  751.959   18.775  749.746   26.774  754.100   26.336  465.204   8.3157  466.563   8.1556 -1.358673 11.64756 
1 1 1   20   26    2 o  677.978   6.1897  1591.68   29.044  1523.27   40.118  1667.02   42.104  663.039   8.7423  693.617   8.7705 -30.57825 12.38337 
1 1 1   20   26    3 o  512.606   6.7323  910.047   23.885  878.581   28.760  980.000   42.881  503.565   8.2518  531.517   11.657 -27.95184 14.28175 
1 1 1   20   26    4 o  134.162   12.802   63.049   11.743   66.603   17.383   60.066   15.926  137.008   18.830  130.097   18.184 6.910324 26.17686 
1 1 1   20   26    5 o   78.657   22.322   22.189   12.716   37.502   22.351   14.860   15.463  102.126   29.785   70.345   25.123 31.78132 38.96542 
1 1 1   20   26    6 o  121.226   14.062   51.776   11.580   48.621   16.651   54.730   16.114  116.086   21.517  123.738   19.458 -7.652161 29.01027 
1 1 1   20   26    7 o  323.635   6.5289  362.897   14.624  387.470   21.576  342.015   19.890  334.202   9.3281  314.002   9.1522 20.20001 13.06814 
1 1 1   20   26    8 o  196.787   9.0133  134.392   12.276  140.495   17.837  128.900   16.921  200.497   12.923  192.028   12.805 8.468475 18.19259 
1 1 1   20   26    9 o   96.061   17.056   33.291   10.924   30.386   15.586   36.097   15.317   90.895   24.304   99.044   22.815 -8.148636 33.33461 
1 1 1   20   26   10 o   33.679   16.383 -21.1204   12.174 -41.4949   15.385   12.995   19.908   32.698   16.347   72.170   27.953 -39.47195 32.38187 
1 1 1   20   26   11 o  141.022   11.679   70.032   11.297   63.562   15.858   76.699   16.097  132.796   17.694  146.525   16.140 -13.72937 23.94946 
1 1 1   20   26   12 o  142.647   11.530   71.811   11.286   66.912   16.695   75.933   15.315  135.695   18.238  145.626   15.430 -9.931519 23.88971 
1 1 1   20   26   13 o  103.330   16.333   39.032   11.293   36.532   21.314   40.007   13.315   96.533   29.319  103.641   19.272 -7.108368 35.08598 
1 1 1   20   26   14 o   92.219   16.035   31.404   9.8629   46.747   14.875   19.366   13.176  111.319   20.044   71.993   23.230 39.32580 30.68209 
1 1 1   20   26   15 o   99.929   14.850   36.735   9.9580   49.385   15.102   27.003   13.246  113.781   19.902   82.796   22.519 30.98531 30.05282 
1 1 1   20   26   16 o  136.742   10.777   66.932   10.116   76.370   14.985   59.029   13.713  143.801   15.291  125.817   16.118 17.98348 22.21733 
1 1 1   20   26   17 o  118.236   13.539   51.645   10.880   71.843   14.486   25.512   16.478  138.472   15.375   77.603   26.025 60.86903 30.22717 
1 1 1   20   28    0 o  146.632   12.126   75.105   12.196   85.244   17.723   65.987   16.808  155.684   16.710  136.498   18.248 19.18610 24.74285 
1 1 1   20   28    1 o  132.708   12.947   61.705   11.740   66.170   16.995   57.631   16.236  136.650   18.441  127.264   19.016 9.385757 26.48915 
1 1 1   20   28    2 o  188.412   9.3791  123.049   12.231  132.213   17.524  114.346   17.078  194.717   13.079  180.941   13.740 13.77538 18.96955 
1 1 1   20   28    3 o  186.271   9.6823  120.618   12.439  147.771   18.451   97.991   16.843  205.890   13.015  167.281   14.697 38.60983 19.63132 
1 1 1   20   28    4 o  386.101   8.7253  516.724   23.316  525.854   33.649  508.293   32.338  389.162   12.493  382.638   12.211 6.524597 17.46949 
1 1 1   20   28    5 o  570.509   6.0255  1127.32   23.792  1104.03   33.464  1151.13   33.833  564.336   8.5678  576.258   8.4830 -11.92218 12.05687 
1 1 1   20   28    6 o  469.759   5.9966  764.403   19.496  742.439   27.432  786.822   27.715  462.726   8.5656  476.374   8.4059 -13.64774 12.00116 
1 1 1   20   28    7 o  425.768   6.0487  628.068   17.824  607.060   25.389  648.485   25.029  418.314   8.7693  432.400   8.3635 -14.08554 12.11811 
1 1 1   20   28    8 o  198.210   8.9363  136.399   12.259  147.858   17.499  125.356   17.179  205.700   12.349  189.202   13.202 16.49777 18.07695 
1 1 1   20   28    9 o  182.269   10.830  116.092   13.600  119.110   17.180  111.024   22.259  184.129   13.577  176.593   18.486 7.535797 22.93600 
1 1 1   20   28   10 o   68.943   22.632   16.490   12.480   27.459   22.170   11.402   15.099   88.673   30.185   64.808   24.532 23.86453 38.89663 
1 1 1   20   28   11 o  133.602   13.873   63.460   12.641   41.712   22.103   74.032   15.411  104.239   29.377  143.896   15.730 -39.65749 33.32305 
1 1 1   20   28   12 o   63.777   22.899   13.101   12.862   0.0000   0.0000   13.101   12.862  ?   ?    63.777   22.899 0.000000 22.89902 
1 1 1   20   28   13 o   74.149   21.034   20.769   11.294 -12.1024   23.601   30.531   12.862   57.128   26.221   89.562   21.097 -32.43415 33.65410 
1 1 1   20   28   14 o  115.973   14.784   48.963   11.597   57.463   21.954   45.673   13.657  119.620   27.141  110.447   18.522 9.173485 32.85857 
1 1 1   20   28   15 o   84.984   17.104   27.342   9.7118   29.007   14.680   26.045   12.951   85.063   23.930   81.137   22.350 3.926178 32.74369 
1 1 1   20   28   16 o  178.594   8.6258  112.530   10.662  110.667   15.591  114.167   14.614  174.587   12.996  177.988   11.932 -3.401459 17.64265 
1 1 1   20   28   17 o  129.637   10.755   60.736   9.5622   72.132   14.616   52.208   12.644  138.319   15.536  117.177   16.009 21.14146 22.30819 
1 1 1   20   30    0 o  777.159   7.7575  2092.60   41.726  1881.46   67.404  2223.78   53.130  736.071   13.231  800.896   9.5849 -64.82483 16.33784 
1 1 1   20   30    1 o  451.502   6.0815  705.978   19.004  652.683   26.449  762.863   27.325  433.948   8.8062  469.180   8.4147 -35.23196 12.18017 
1 1 1   20   30    2 o  224.432   12.177  175.359   18.844   0.0000   0.0000  175.359   18.844  ?   ?   224.432   12.177 0.000000 12.17684 
1 1 1   20   30    3 o   61.261   22.978   9.7942   13.180   26.083   23.904   2.6801   15.798   90.259   31.320   57.608   23.968 32.65131 39.43812 
1 1 1   20   30    4 o  225.503   10.094  176.408   15.755  161.913   19.278  205.561   27.339  215.481   12.987  242.395   16.392 -26.91457 20.91325 
1 1 1   20   30    5 o  236.405   8.3909  193.768   13.729  177.926   19.335  209.876   19.498  225.944   12.412  245.834   11.459 -19.88979 16.89306 
1 1 1   20   30    6 f  336.250   6.6171  391.799   15.399  375.464   21.607  408.660   21.953  328.929   9.4912  343.187   9.2424 -14.25766 13.24787 
1 1 1   20   30    7 o   86.031   19.993   27.022   11.678   44.860   16.791   10.310   16.252  110.852   22.651   65.649   25.304 45.20285 33.96075 
1 1 1   20   30    8 o   78.460   22.306   22.384   12.686   35.711   15.791  -1.8737   21.305   98.365   23.514   62.003   26.874 36.36203 35.70903 
1 1 1   20   30    9 o  158.791   11.832   88.495   12.910   84.341   22.553   90.520   15.746  152.397   22.021  160.084   14.364 -7.687103 26.29144 
1 1 1   20   30   10 o  170.263   10.959  101.680   12.846   87.756   22.363  108.536   15.693  155.169   21.392  175.463   13.015 -20.29402 25.03996 
1 1 1   20   30   11 o  166.736   10.752   97.689   12.341  119.854   24.691   90.307   14.249  181.614   19.973  159.718   13.003 21.89534 23.83246 
1 1 1   20   30   12 o  158.199   11.352   88.395   12.347   82.000   24.747   90.514   14.247  146.711   25.285  159.595   13.012 -12.88411 28.43622 
1 1 1   20   30   13 o   52.746   20.427   7.2291   10.631   18.478   21.766   3.7052   12.183   76.454   29.330   50.949   21.110 25.50467 36.13722 
1 1 1   20   30   14 o  193.172   9.2155  131.158   12.321   89.659   23.112  147.633   14.563  152.789   22.533  204.296   10.333 -51.50659 24.78892 
1 1 1   20   30   15 o   78.979   19.757   24.343   10.772   32.751   19.973   20.894   12.793   88.478   28.607   72.946   22.814 15.53212 36.59024 
1 1 1   20   30   16 o   39.221   17.593  -2.7937   9.9000   12.385   18.843  -8.5813   11.635   65.078   26.531   38.279   17.860 26.79981 31.98211 
1 1 1   20   30   17 o   74.710   16.924   21.970   8.5483   23.490   12.912   20.784   11.406   74.532   22.857   70.822   21.434 3.709732 31.33481 
1 1 1   20   32    0 o   83.513   21.906   25.280   12.819   54.878   23.066   12.054   15.420  122.502   27.838   66.891   24.900 55.61054 37.34925 
1 1 1   20   32    1 o   88.845   21.530   28.698   13.100   30.057   19.112   27.493   17.991   91.977   27.726   88.244   26.967 3.732574 38.67741 
1 1 1   20   32    2 o  567.613   7.1526  1116.29   28.099  1017.56   47.347  1169.97   34.912  541.237   12.639  580.934   8.6831 -39.69763 15.33465 
1 1 1   20   32    3 o  443.131   6.2567  680.203   19.189  654.828   26.927  706.386   27.352  434.563   8.9529  451.366   8.7557 -16.80350 12.52259 
1 1 1   20   32    4 f  314.204   8.1946  342.273   17.820  338.864   21.435  349.902   32.066  312.501   9.9107  317.048   14.613 -4.546570 17.65674 
1 1 1   20   32    5 o  200.671   9.5478  139.748   13.261  134.206   18.736  145.311   18.771  195.856   13.912  203.918   13.375 -8.062012 19.29813 
1 1 1   20   32    6 o  155.054   11.552   84.063   12.308  102.373   17.387   65.672   17.426  170.671   14.868  135.574   19.100 35.09692 24.20467 
1 1 1   20   32    7 o  231.788   9.3102  186.657   14.936  181.489   18.481  196.390   25.361  227.993   11.752  236.420   15.586 -8.426620 19.52012 
1 1 1   20   32    8 o  306.799   6.6562  326.559   14.134  325.996   20.222  327.097   19.762  306.123   9.5446  306.678   9.3104 -0.5551147 13.33355 
1 1 1   20   32    9 f  273.095   8.1484  259.328   15.401  280.544   19.396  223.122   25.338  283.729   9.8771  251.583   14.615 32.14584 17.63925 
1 1 1   20   32   10 o  192.493   9.9399  129.686   13.197   98.244   23.243  144.647   16.032  164.163   20.933  202.954   11.461 -38.79099 23.86502 
1 1 1   20   32   11 o  224.697   9.9186  176.595   15.425   0.0000   0.0000  176.595   15.425  ?   ?   224.697   9.9186 0.000000 9.918618 
1 1 1   20   32   12 o  269.376   6.4894  252.521   12.099  259.383   18.256  247.146   16.157  272.078   9.6945  265.878   8.7799 6.199524 13.07939 
1 1 1   20   32   13 o  134.443   10.745   64.109   9.9149   99.081   15.577   40.289   12.856  166.187   13.664  103.685   18.598 62.50207 23.07730 
1 1 1   20   32   14 o   59.047   20.574   12.236   10.320  -5.8732   18.334   20.637   12.487   52.163   23.620   73.015   22.492 -20.85132 32.61544 
1 1 1   20   32   15 o   56.690   19.259   11.670   9.0246  -3.4153   12.075   30.761   13.584   43.179   19.394   87.484   22.352 -44.30513 29.59300 
1 1 1   20   32   16 o  150.736   9.1448   80.883   9.4954   77.413   13.861   83.951   13.034  144.790   14.007  151.766   12.520 -6.975266 18.78711 
1 1 1   20   32   17 o   63.694   20.202   16.566   9.9975   15.049   19.838   17.082   11.575   65.506   27.022   64.505   21.811 1.000587 34.72671 
1 1 1   20   34    0 o  132.989   21.114   63.377   18.785   0.0000   0.0000   63.377   18.785  ?   ?   132.989   21.114 0.000000 21.11419 
1 1 1   20   34    1 o  676.117   7.2609  1584.13   33.977   0.0000   0.0000  1584.13   33.977  ?   ?   676.117   7.2609 0.000000 7.260873 
1 1 1   20   34    2 o  878.287   8.3364  2674.51   50.675  2489.27   82.991  2784.63   63.988  845.811   14.177  895.734   10.321 -49.92346 17.53621 
1 1 1   20   34    3 o  297.571   7.5275  306.936   15.503  247.934   21.590  369.739   22.275  267.134   11.678  326.405   9.8602 -59.27078 15.28370 
1 1 1   20   34    4 o  342.724   6.8529  407.098   16.255  392.743   23.086  421.211   22.892  336.348   9.9172  348.371   9.4942 -12.02295 13.72925 
1 1 1   20   34    5 o  472.702   7.1420  774.727   23.366  765.099   28.141  796.097   41.927  469.546   8.6595  478.203   12.668 -8.656647 15.34484 
1 1 1   20   34    6 o  186.090   10.186  120.750   13.070  135.124   18.249  105.613   18.727  196.346   13.511  173.032   15.812 23.31424 20.79815 
1 1 1   20   34    7 o  219.587   8.7109  167.560   13.239  144.039   18.485  192.329   18.969  202.617   13.255  234.869   11.669 -32.25143 17.65950 
1 1 1   20   34    8 o  194.803   9.3621  132.101   12.623  103.698   18.113  158.919   17.600  171.062   15.466  212.934   11.991 -41.87218 19.57010 
1 1 1   20   34    9 o  223.466   7.9395  173.706   12.279  169.850   17.977  177.079   16.813  219.968   11.852  225.134   10.790 -5.166046 16.02789 
1 1 1   20   34   10 o   95.371   20.915   34.014   13.426   0.0000   0.0000   34.014   13.426  ?   ?    95.371   20.915 0.000000 20.91529 
1 1 1   20   34   11 o  169.325   8.8909  100.434   10.383  107.097   15.590   95.122   13.919  173.675   13.066  163.845   12.366 9.829987 17.98929 
1 1 1   20   34   12 o  236.632   6.9593  195.148   11.398  184.938   16.768  203.918   15.540  229.306   10.565  241.221   9.3079 -11.91487 14.08055 
1 1 1   20   34   13 o   75.405   17.936   21.567   9.2242   41.689   13.469   3.7917   12.659  104.993   19.244   51.469   21.438 53.52390 28.80814 
1 1 1   20   34   14 o   75.779   19.444   22.273   10.249   30.568   13.950   12.546   15.106   87.572   22.795   63.364   24.403 24.20792 33.39341 
1 1 1   20   34   15 o  139.633   9.5450   69.388   9.1691   56.862   12.964   81.925   12.970  123.557   15.501  150.298   12.584 -26.74166 19.96628 
1 1 1   20   34   16 o   99.980   13.196   37.075   8.9080   40.296   13.280   34.440   12.011  100.409   19.813   92.956   19.301 7.452667 27.65983 
1 1 1   20   36    0 o  285.945   8.2319  283.533   16.292   0.0000   0.0000  283.533   16.292  ?   ?   285.945   8.2319 0.000000 8.231939 
1 1 1   20   36    1 o  180.022   10.106  112.856   12.540   78.244   25.198  124.251   14.458  146.848   25.730  188.801   11.113 -41.95314 28.02764 
1 1 1   20   36    2 o  375.349   7.2916  488.392   18.942   0.0000   0.0000  488.392   18.942  ?   ?   375.349   7.2916 0.000000 7.291612 
1 1 1   20   36    3 o  302.213   6.8822  316.590   14.395  345.415   31.988  309.271   16.120  314.742   14.685  298.629   7.7992 16.11356 16.62719 
1 1 1   20   36    4 o   98.861   19.196   35.446   12.661   42.101   17.792   28.621   18.020  106.972   24.551   89.204   26.929 17.76826 36.44069 
1 1 1   20   36    5 o  500.613   7.1133  869.281   24.646  888.703   30.423  832.195   42.039  505.886   8.6891  488.655   12.430 17.23111 15.16599 
1 1 1   20   36    6 o  130.096   16.087   60.259   14.176   68.181   17.629   45.761   23.848  137.798   18.989  110.430   30.291 27.36745 35.75100 
1 1 1   20   36    7 o  194.374   13.601  132.951   18.182   0.0000   0.0000  132.951   18.182  ?   ?   194.374   13.601 0.000000 13.60077 
1 1 1   20   36    8 o  188.343   9.3099  123.589   12.136  136.641   17.126  110.425   17.199  197.095   12.621  176.706   14.183 20.38992 18.98526 
1 1 1   20   36    9 o  118.557   16.185   50.675   12.933   9.3561   24.222   67.154   15.297   72.775   29.921  136.662   16.507 -63.88772 34.17205 
1 1 1   20   36   10 o  108.369   15.942   42.601   11.599   32.283   21.542   46.814   13.765   92.204   29.698  112.959   18.228 -20.75505 34.84571 
1 1 1   20   36   11 o  177.040   8.7393  109.576   10.708  108.439   16.687  110.371   13.962  174.244   13.954  176.682   11.480 -2.437866 18.06985 
1 1 1   20   36   12 o   54.531   19.272   9.8581   9.0765   20.247   13.311   0.8304   12.409   73.288   23.318   48.303   20.719 24.98453 31.19280 
1 1 1   20   36   13 f   43.481   18.500   1.1908   9.7495   4.3998   12.705  -3.4054   15.205   51.969   21.547   49.104   21.930 2.865036 30.74389 
1 1 1   20   36   14 o   99.330   13.826   36.257   9.2470   39.482   13.521   33.423   12.674  100.742   20.097   92.370   20.372 8.371742 28.61677 
1 1 1   20   36   15 o   63.982   19.571   16.020   9.4730   28.351   15.106   8.0264   12.162   82.278   24.614   54.124   21.578 28.15350 32.73351 
1 1 1   20   36   16 o   44.457   18.450   3.7688   9.3283   5.7415   15.678   2.6878   11.606   54.773   23.386   46.796   20.054 7.976940 30.80707 
1 1 1   20   38    0 o  511.162   5.9767  905.407   21.144  868.293   41.635  918.305   24.545  499.558   12.042  514.677   6.8906 -15.11957 13.87412 
1 1 1   20   38    1 o  427.725   11.995  636.585   35.509  636.585   35.509   0.0000   0.0000  427.725   11.995  ?   ?  0.000000 11.99493 
1 1 1   20   38    2 o  450.304   6.0848  702.761   18.964  638.537   38.308  723.608   21.826  428.114   12.929  456.837   6.9029 -28.72293 14.65615 
1 1 1   20   38    3 o  316.381   6.6850  347.072   14.638  330.683   30.214  352.098   16.733  307.768   14.184  318.574   7.5891 -10.80573 16.08702 
1 1 1   20   38    4 o  245.691   7.6680  209.499   13.039  195.805   27.813  213.357   14.762  235.565   17.178  247.850   8.6054 -12.28534 19.21260 
1 1 1   20   38    5 o  238.829   8.6447  198.220   14.289  204.927   27.301  195.689   16.770  240.975   16.468  237.102   10.219 3.873062 19.38090 
1 1 1   20   38    6 o  115.515   15.848   47.765   12.336   24.772   17.447   70.752   17.445   83.262   26.718  140.318   18.407 -57.05597 32.44473 
1 1 1   20   38    7 o  118.083   15.108   49.848   12.064   50.886   16.981   48.790   17.144  117.484   21.682  114.770   22.386 2.713654 31.16509 
1 1 1   20   38    8 o   51.333   21.527   2.2449   12.891   33.068   23.184 -11.5506   15.510   94.422   30.840   45.372   20.980 49.05069 37.29977 
1 1 1   20   38    9 o   98.983   16.759   35.785   11.072   32.741   16.054   38.546   15.289   92.676   24.614  101.080   22.439 -8.403648 33.30726 
1 1 1   20   38   10 o   35.208   16.740 -13.1706   11.121   4.2644   21.975 -19.1735   12.894   65.442   27.808   35.779   17.272 29.66356 32.73540 
1 1 1   20   38   11 o  119.993   12.272   51.434   10.048   48.519   15.319   53.634   13.311  113.586   20.228  121.175   16.284 -7.588661 25.96820 
1 1 1   20   38   12 o   28.627   13.979 -16.1726   9.1044 -14.0307   13.670 -17.8804   12.206   39.652   18.766   34.702   16.765 4.950638 25.16443 
1 1 1   20   38   13 o   70.260   18.180   18.946   8.9080   23.718   13.066   14.801   12.177   77.498   22.821   63.988   22.345 13.51003 31.93922 
1 1 1   20   38   14 o  106.886   12.570   41.620   9.1211   33.350   12.968   49.717   12.832   91.658   20.905  114.947   16.611 -23.28899 26.70077 
1 1 1   20   38   15 o   52.669   20.332   8.6110   10.506   2.3527   16.152   13.200   13.831   53.246   23.236   61.406   23.423 -8.160706 32.99279 
1 1 1   20   40    0 o   32.512   15.711 -17.0655   10.732  -7.7220   21.486 -20.1715   12.388   58.444   26.087   34.667   16.784 23.77681 31.01987 
1 1 1   20   40    1 o  194.852   9.2849  131.932   12.522   92.780   24.409  145.915   14.587  160.324   22.627  204.560   10.337 -44.23633 24.87588 
1 1 1   20   40    2 o  198.591   9.0718  137.046   12.469   80.000   26.871  152.701   14.076  147.154   27.391  209.564   9.7049 -62.41045 29.05985 
1 1 1   20   40    3 o  263.648   8.2786  241.444   15.106   0.0000   0.0000  241.444   15.106  ?   ?   263.648   8.2786 0.000000 8.278597 
1 1 1   20   40    4 o   66.394   22.313   14.859   12.113   22.302   24.136   12.353   14.004   85.099   31.249   64.864   23.806 20.23532 39.28367 
1 1 1   20   40    5 o  120.820   13.096   51.681   10.776   39.541   23.091   55.060   12.184  102.625   30.372  124.467   14.410 -21.84258 33.61679 
1 1 1   20   40    6 o  147.802   12.199   76.966   12.368   73.902   24.621   78.000   14.304  140.479   26.289  148.361   14.099 -7.881912 29.83154 
1 1 1   20   40    7 o  195.712   10.833  134.323   14.617  106.195   24.586  149.700   18.179  170.639   21.281  206.117   12.806 -35.47864 24.83682 
1 1 1   20   40    8 o  110.282   15.795   43.964   11.712   34.179   16.568   53.737   16.558   94.688   24.936  120.548   20.585 -25.86008 32.33516 
1 1 1   20   40    9 o  230.149   7.7611  184.620   12.363  170.205   18.404  196.474   16.689  219.525   12.160  236.813   10.182 -17.28795 15.86028 
1 1 1   20   40   10 o  109.204   15.671   43.455   11.505   56.878   20.804   37.541   13.808  120.877   25.661   99.594   20.708 21.28267 32.97420 
1 1 1   20   40   11 o  209.059   7.7430  152.745   11.203  155.173   16.783  150.793   15.047  209.122   11.641  206.594   10.559 2.528015 15.71664 
1 1 1   20   40   12 o  127.929   12.589   58.899   11.002   53.094   14.679   66.341   16.619  118.847   18.443  133.025   18.557 -14.17802 26.16260 
1 1 1   20   40   13 o  134.318   10.334   64.337   9.5328   66.930   14.191   62.205   12.869  134.602   15.517  130.217   14.526 4.384827 21.25547 
1 1 1   20   40   14 o   37.126   16.506  -1.8722   8.5128  -3.1848   12.578  -0.7628   11.564   43.956   19.764   44.206   19.465 -0.2497559 27.74047 
1 1 1   20   40   15 o   73.331   17.003   21.160   8.4617   29.042   12.166   13.774   11.777   83.905   21.000   60.340   21.878 23.56530 30.32553 
1 1 1   20   42    0 o   65.539   21.447   14.760   11.210 -15.2976   22.730   24.422   12.887   55.812   25.659   81.502   22.230 -25.68992 33.94987 
1 1 1   20   42    1 o  199.591   9.0307  138.527   12.475  131.951   25.248  140.650   14.349  192.267   19.232  200.698   10.365 -8.431198 21.84693 
1 1 1   20   42    2 o  159.093   13.719   89.246   14.958  107.122   23.836   77.633   19.211  172.637   20.340  146.899   19.368 25.73779 28.08598 
1 1 1   20   42    3 o   54.878   21.587   6.5009   12.021   17.620   25.199   3.2248   13.678   81.495   31.481   53.957   22.363 27.53794 38.61545 
1 1 1   20   42    4 o   90.444   18.006   29.933   10.875  -0.2931   24.801   37.128   12.101   67.240   29.070  100.996   17.970 -33.75575 34.17525 
1 1 1   20   42    5 o   49.473   19.829   4.5181   10.327   26.137   23.829  -0.4813   11.459   87.857   31.208   46.073   19.839 41.78378 36.98042 
1 1 1   20   42    6 o  143.059   17.915   73.884   17.349   71.317   23.644   76.878   25.536  137.632   25.768  142.561   26.867 -4.928986 37.22652 
1 1 1   20   42    7 o   68.617   21.146   17.130   11.036   0.0000   0.0000   17.130   11.036  ?   ?    68.617   21.146 0.000000 21.14569 
1 1 1   20   42    8 o   82.088   17.544   25.003   9.6651   19.039   21.523   26.509   10.817   77.886   29.335   84.212   19.010 -6.325516 34.95554 
1 1 1   20   42    9 o   68.448   18.597   17.534   9.0393  -5.9610   20.880   22.953   10.028   56.880   25.529   78.127   18.778 -21.24663 31.69105 
1 1 1   20   42   10 o  130.117   13.086   60.712   11.624   78.585   20.773   52.563   14.026  144.361   21.442  119.337   17.502 25.02433 27.67847 
1 1 1   20   42   11 o   86.576   19.302   28.656   11.271   31.226   14.937   25.259   17.174   88.862   23.807   80.541   26.555 8.321358 35.66460 
1 1 1   20   42   12 o  117.091   11.984   49.377   9.5749   61.897   14.462   39.606   12.776  129.096   16.568  101.857   18.816 27.23906 25.07088 
1 1 1   20   42   13 o  106.387   12.719   41.288   9.1795   40.250   13.520   42.176   12.503  101.448   19.967  105.085   17.828 -3.636795 26.76771 
1 1 1   20   42   14 o   41.525   17.877   0.9501   9.3009   2.7449   15.101  -0.1469   11.806   52.273   22.641   44.910   19.724 7.363300 30.02770 
1 1 1   20   44    0 o  221.167   8.2943  170.094   12.696  144.244   24.922  179.155   14.754  201.093   18.100  226.825   9.3984 -25.73207 20.39481 
1 1 1   20   44    1 o  243.744   7.7253  206.476   13.033  158.537   25.610  223.229   15.139  210.989   17.701  253.305   8.6355 -42.31564 19.69521 
1 1 1   20   44    2 o   83.106   21.153   25.622   12.198   50.049   22.650   15.645   14.476  114.660   28.629   69.289   24.354 45.37106 37.58646 
1 1 1   20   44    3 o   47.239   19.778   1.7801   10.854   6.3561   24.894   0.7060   12.061   71.752   29.989   48.419   20.588 23.33373 36.37625 
1 1 1   20   44    4 o  201.336   8.6698  141.173   12.081  136.098   26.533  142.501   13.569  194.108   20.038  202.119   9.7000 -8.010956 22.26276 
1 1 1   20   44    5 o   30.338   14.793 -18.0152   10.091 -31.1171   23.485 -15.0487   11.175   49.330   23.688   34.408   16.474 14.92235 28.85386 
1 1 1   20   44    6 f  105.212   16.574   40.262   11.670   0.0000   0.0000   40.262   11.670  ?   ?   105.212   16.574 0.000000 16.57413 
1 1 1   20   44    7 o   48.251   20.995  -1.1035   13.104   26.980   21.386 -17.9836   16.580   86.045   29.637   43.490   20.607 42.55501 36.09755 
1 1 1   20   44    8 o  143.763   10.286   72.876   10.167   66.244   21.815   74.716   11.491  131.356   24.906  145.236   11.526 -13.88036 27.44422 
1 1 1   20   44    9 o  163.867   8.6512   94.231   9.7769   83.610   21.433   97.022   10.987  149.169   21.370  166.018   9.6026 -16.84834 23.42849 
1 1 1   20   44   10 o  177.310   11.796  111.905   14.394  120.537   21.787  105.219   19.174  181.058   17.609  169.660   16.539 11.39793 24.15794 
1 1 1   20   44   11 o   59.777   17.906   13.415   7.9904   5.6341   18.964   15.095   8.8107   61.127   25.896   63.133   18.778 -2.005123 31.98811 
1 1 1   20   44   12 o  111.765   14.938   46.191   11.266   33.668   21.721   50.800   13.177   88.928   29.880  116.318   16.859 -27.38963 34.30803 
1 1 1   20   44   13 o   35.487   16.384  -5.9395   9.4060  -7.1951   15.709  -5.2377   11.744   46.289   21.300   40.830   18.649 5.459503 28.31052 
1 1 1   20   44   14 o   46.391   17.899   6.4250   8.1387   9.0183   11.288   3.6167   11.746   53.624   20.970   48.047   20.369 5.577305 29.23453 
1 1 1   20   46    0 o  154.715   11.783   84.262   12.523   91.415   23.213   81.325   14.872  158.128   21.789  151.355   14.369 6.773071 26.10071 
1 1 1   20   46    1 o   43.253   19.414  -5.0142   12.077   4.1468   21.864  -9.0371   14.488   66.276   27.926   45.100   20.643 21.17653 34.72766 
1 1 1   20   46    2 o   86.271   19.239   27.573   11.195 -13.3415   22.785   40.593   12.853   56.349   25.827  105.385   18.285 -49.03574 31.64417 
1 1 1   20   46    3 o   61.641   24.039   9.2894   14.802 -42.2195   24.350   39.479   18.641   46.792   22.852  101.728   26.287 -54.93611 34.83159 
1 1 1   20   46    4 o  117.891   14.035   49.681   11.227   62.146   24.635   46.414   12.613  126.724   28.748  113.181   16.594 13.54272 33.19371 
1 1 1   20   46    5 o  261.961   8.0450  239.132   14.586   0.0000   0.0000  239.132   14.586  ?   ?   261.961   8.0450 0.000000 8.045002 
1 1 1   20   46    6 o  146.972   10.584   76.120   10.694   66.976   24.076   78.368   11.936  131.408   27.361  148.849   11.680 -17.44029 29.74932 
1 1 1   20   46    7 o   55.144   20.699   8.7849   10.698 -30.9463   21.528   21.815   12.328   45.912   22.202   76.005   22.107 -30.09378 31.33164 
1 1 1   20   46    8 o   90.184   16.088   30.010   9.6735   29.576   21.330   30.123   10.854   87.678   29.609   89.692   18.108 -2.014404 34.70766 
1 1 1   20   46    9 o   50.232   19.558   6.4375   9.7858   28.971   20.489  -0.2218   11.138   86.057   29.019   44.888   19.444 41.16860 34.93101 
1 1 1   20   46   10 o  224.574   6.8752  176.148   10.686  152.878   23.022  182.538   12.065  204.290   16.421  228.367   7.6331 -24.07668 18.10845 
1 1 1   20   46   11 o  115.979   10.480   48.066   8.3214   58.341   20.471   46.031   9.1079  119.675   25.495  112.998   11.821 6.676720 28.10228 
1 1 1   20   46   12 o  161.192   8.7105   91.974   9.6817   0.0000   0.0000   91.974   9.6817  ?   ?   161.192   8.7105 0.000000 8.710525 
1 1 1   20   46   13 o   32.032   14.661  -3.9757   7.3083   17.932   18.902  -7.8262   7.9246   69.370   27.135   30.380   14.351 38.98977 30.69574 
1 1 1   20   48    0 o  182.936   11.056  117.606   13.932  145.805   25.013  104.923   16.775  201.307   18.148  171.876   14.230 29.43097 23.06165 
1 1 1   20   48    1 o  255.968   7.4444  227.982   13.188  225.658   26.990  228.711   15.116  251.906   15.557  256.159   8.5261 -4.252640 17.73982 
1 1 1   20   48    2 o  224.486   8.1323  175.574   12.635  116.000   24.732  196.613   14.698  178.314   20.408  237.389   8.9458 -59.07472 22.28246 
1 1 1   20   48    3 o   47.387   19.688   2.5143   10.638   44.741   22.471  -9.6842   12.078  106.981   29.428   39.617   18.387 67.36430 34.69993 
1 1 1   20   48    4 f  193.447   12.593  132.377   16.768   0.0000   0.0000  132.377   16.768  ?   ?   193.447   12.593 0.000000 12.59263 
1 1 1   20   48    5 o  265.244   7.2838  245.067   13.372  243.512   29.078  245.484   15.058  260.610   16.202  265.237   8.2027 -4.627228 18.15966 
1 1 1   20   48    6 o   60.070   20.365   12.517   10.091   6.4000   22.994   13.976   11.230   67.912   28.629   63.248   21.483 4.664028 35.79294 
1 1 1   20   48    7 o   41.683   18.348  -1.8980   10.266 -21.3854   21.817   3.6445   11.635   49.942   23.657   49.968   20.661 -0.2580643E-01 31.40889 
1 1 1   20   48    8 o  107.018   13.885   41.534   10.042   53.122   21.289   38.218   11.389  114.945   27.186  101.539   16.793 13.40622 31.95476 
1 1 1   20   48    9 o   32.400   15.252  -8.7131   8.8100 -12.9122   19.357  -7.6160   9.8942   49.747   23.152   35.774   16.617 13.97390 28.49808 
1 1 1   20   48   10 o   78.071   16.725   23.124   8.7652   49.902   21.450   17.756   9.6036  108.939   28.221   67.860   19.447 41.07871 34.27284 
1 1 1   20   48   11 o   42.852   17.296   3.8086   7.9175   12.361   21.213   2.4243   8.5342   67.623   27.924   42.168   17.586 25.45432 33.00006 
1 1 1   20   48   12 o   35.186   15.557  -1.3323   7.4604 -19.7122   19.110   1.9725   8.1034   44.824   21.483   40.480   17.026 4.343380 27.41206 
1 1 1   20   50    0 o  163.670   10.439   94.215   11.763  110.585   23.942   89.006   13.505  173.732   20.294  158.533   12.408 15.19823 23.78632 
1 1 1   20   50    1 o  339.016   7.2222  400.118   16.946  358.732   30.192  419.153   20.475  318.543   13.694  346.575   8.5359 -28.03134 16.13695 
1 1 1   20   50    2 o   43.171   18.813  -1.2351   10.555   21.346   21.399  -8.4963   12.134   80.030   29.418   40.474   18.660 39.55549 34.83699 
1 1 1   20   50    3 o  216.417   9.6724  163.964   14.488   0.0000   0.0000  163.964   14.488  ?   ?   216.417   9.6724 0.000000 9.672373 
1 1 1   20   50    4 o  126.596   17.519   58.646   14.939   52.634   23.959   62.470   19.108  114.644   29.888  128.724   22.252 -14.07967 37.26204 
1 1 1   20   50    5 o  155.370   10.779   85.303   11.519   96.878   25.280   82.269   12.941  159.835   23.559  152.060   12.404 7.774902 26.62468 
1 1 1   20   50    6 o  191.403   9.9247  129.044   13.102   0.0000   0.0000  129.044   13.102  ?   ?   191.403   9.9247 0.000000 9.924690 
1 1 1   20   50    7 o  170.287   9.5638  102.227   11.226   94.000   24.305  104.459   12.657  156.581   23.123  171.748   10.701 -15.16705 25.47902 
1 1 1   20   50    8 o   91.098   18.030   31.397   10.966   15.649   20.833   37.433   12.897   71.861   28.370   99.032   19.510 -27.17047 34.43155 
1 1 1   20   50    9 o  178.920   8.2108  112.393   10.168  132.146   24.720  108.371   11.155  187.235   19.356  175.128   9.2357 12.10788 21.44610 
1 1 1   20   50   10 o   55.088   18.765   10.930   8.5685   10.668   21.976   10.977   9.3049   67.111   28.123   55.732   19.529 11.37961 34.23877 
1 1 1   20   50   11 o   89.460   18.538   31.263   11.101  -0.3355   21.610   42.590   12.938   58.246   26.069  104.807   18.514 -46.56122 31.97385 
1 1 1   20   50   12 o   30.132   14.138  -6.5374   7.4642 -23.8293   19.326  -3.5056   8.0922   43.017   20.860   34.299   15.594 8.718388 26.04463 
1 1 1   20   52    0 o  118.658   13.873   50.578   11.178   46.483   22.325   51.948   12.914  108.050   29.171  119.574   16.006 -11.52372 33.27365 
1 1 1   20   52    1 o   76.024   19.911   21.814   10.601   46.761   21.457   13.758   12.193  108.604   28.271   63.732   22.354 44.87209 36.04088 
1 1 1   20   52    2 o  128.481   14.929   59.577   13.028   0.0000   0.0000   59.577   13.028  ?   ?   128.481   14.929 0.000000 14.92921 
1 1 1   20   52    3 o  106.912   19.911   42.920   14.191   34.780   20.847   49.948   19.372   93.860   29.087  113.147   25.365 -19.28725 38.59272 
1 1 1   20   52    4 o  134.544   13.983   65.123   12.830   79.366   24.486   59.733   15.064  142.864   25.710  127.423   17.546 15.44053 31.12659 
1 1 1   20   52    5 o  166.705   10.088   98.101   11.584   87.122   24.912  101.130   13.085  149.885   24.888  168.864   11.261 -18.97926 27.31684 
1 1 1   20   52    6 o   75.565   21.448   22.007   11.739   15.620   22.983   24.262   13.654   73.957   29.603   78.984   23.349 -5.026802 37.70314 
1 1 1   20   52    7 o  162.611   11.072   94.085   12.386   85.024   23.353   97.632   14.611  147.673   23.647  164.861   12.908 -17.18889 26.94070 
1 1 1   20   52    8 o  162.276   10.850   93.829   12.116   96.439   23.313   92.863   14.181  157.917   21.921  160.504   12.874 -2.587158 25.42220 
1 1 1   20   52    9 o  158.699   9.3891   89.307   10.267   90.049   24.027   89.141   11.356  150.127   23.927  158.106   10.436 -7.978638 26.10399 
1 1 1   20   52   10 o   76.046   18.982   22.790   9.9596   0.0000   0.0000   22.790   9.9596  ?   ?    76.046   18.982 0.000000 18.98230 
1 1 1   20   52   11 o  156.821   10.956   88.811   11.816   56.146   21.660  102.651   14.099  111.968   28.018  167.810   12.224 -55.84155 30.56877 
1 1 1   20   54    0 f  195.544   8.9993  133.948   12.180  147.805   24.208  129.252   14.093  201.364   17.545  191.329   10.685 10.03502 20.54285 
1 1 1   20   54    1 o   62.078   22.344   12.759   12.253   0.0000   0.0000   12.759   12.253  ?   ?    62.078   22.344 0.000000 22.34365 
1 1 1   20   54    2 o   80.971   21.215   25.167   12.032  -7.5317   23.012   37.470   14.116   58.382   26.447   98.962   21.244 -40.57991 33.92240 
1 1 1   20   54    3 o  101.335   16.256   37.873   11.016   51.805   20.724   32.386   13.005  113.894   26.746   91.866   20.922 22.02849 33.95711 
1 1 1   20   54    4 o  123.417   12.965   54.785   10.909   61.854   21.187   52.235   12.725  125.212   25.318  119.409   15.784 5.802658 29.83548 
1 1 1   20   54    5 o   42.163   19.564  -9.6844   13.660 -11.5463   22.005  -8.5170   17.424   54.328   25.075   49.352   22.607 4.975727 33.76104 
1 1 1   20   54    6 o   48.936   20.529   3.0286   11.731 -46.9024   23.310   19.965   13.576   42.670   21.129   72.205   23.601 -29.53506 31.67677 
1 1 1   20   54    7 o  105.487   15.089   41.113   10.702   14.746   22.972   48.423   12.095   71.867   29.295  114.346   15.697 -42.47948 33.23597 
1 1 1   20   54    8 o   84.010   18.139   27.218   10.238   34.585   22.236   25.236   11.534   89.717   30.231   79.857   20.697 9.860504 36.63762 
1 1 1   20   54    9 o   93.207   17.738   33.489   11.024   0.0000   0.0000   33.489   11.024  ?   ?    93.207   17.738 0.000000 17.73761 
1 1 1   20   54   10 o  108.897   12.850   43.689   9.4982   32.468   22.405   46.148   10.487   84.573   30.238  111.396   13.905 -26.82280 33.28169 
1 1 1   20   56    0 o  135.745   12.841   66.127   11.921   37.863   24.972   74.470   13.567   96.048   32.038  143.731   13.808 -47.68365 34.88732 
1 1 1   20   56    1 o  183.447   9.7587  118.730   12.346  115.463   25.275  119.754   14.148  174.806   21.334  183.692   11.182 -8.886429 24.08657 
1 1 1   20   56    2 o   63.141   21.341   14.377   11.081   12.488   22.747   14.965   12.689   71.054   29.079   65.059   22.805 5.994331 36.95486 
1 1 1   20   56    3 o  162.075   10.170   93.012   11.350   79.659   22.356   97.650   13.174  143.257   23.352  165.536   11.572 -22.27884 26.06177 
1 1 1   20   56    4 o  140.476   11.547   70.523   11.127   67.756   21.131   71.584   13.088  131.088   24.182  140.684   13.612 -9.595551 27.74966 
1 1 1   20   56    5 o   58.091   21.875   10.612   11.968  -7.8293   23.607   16.991   13.885   57.822   26.422   68.024   23.855 -10.20210 35.59734 
1 1 1   20   56    6 o   76.214   19.886   22.693   10.601   35.107   22.989   19.341   11.946   90.843   30.739   70.475   22.048 20.36780 37.82814 
1 1 1   20   56    7 o   93.238   17.128   33.083   10.646   34.615   23.407   32.683   11.953   89.412   30.994   91.536   19.467 -2.124542 36.60048 
1 1 1   20   56    8 o   46.527   19.640   2.8362   10.845   0.0000   0.0000   2.8362   10.845  ?   ?    46.527   19.640 0.000000 19.63991 
1 1 1   20   56    9 o  104.333   14.247   40.684   10.019   42.054   22.999   40.363   11.131   94.608   30.708  102.866   16.168 -8.257187 34.70391 
1 1 1   20   58    0 o  115.819   15.103   49.223   11.819   61.707   24.398   45.395   13.510  121.475   29.347  109.665   18.454 11.80961 34.66755 
1 1 1   20   58    1 f   49.771   22.335  -4.0556   15.975  -5.7024   22.467  -2.3717   22.719   57.790   26.159   60.051   26.813 -2.260540 37.45984 
1 1 1   20   58    2 o   64.667   21.047   15.663   10.801   25.039   22.737   12.931   12.275   81.331   30.244   61.543   22.332 19.78764 37.59610 
1 1 1   20   58    3 o   60.170   21.416   12.633   11.226   15.190   21.321   11.652   13.205   71.157   28.502   60.590   22.940 10.56699 36.58692 
1 1 1   20   58    4 o   58.917   21.643   11.647   11.579   16.473   19.742   9.1154   14.297   70.876   27.729   58.613   23.387 12.26289 36.27427 
1 1 1   20   58    5 o   59.609   20.834   12.797   10.587   4.8195   21.784   15.264   12.113   62.773   27.191   64.194   22.294 -1.420658 35.16227 
1 1 1   20   58    6 o   61.769   23.301   12.940   13.592   18.239   23.038   10.111   16.834   73.496   29.561   61.622   25.094 11.87383 38.77565 
1 1 1   20   58    7 o   75.438   20.501   22.847   10.984   32.654   25.726   20.661   12.146   85.845   32.122   71.546   22.207 14.29830 39.05057 
1 1 1   20   58    8 o   59.954   20.438   13.825   10.164   23.946   25.307   11.879   11.099   76.896   30.963   57.556   21.182 19.33997 37.51503 
1 1 1   20   60    0 o  137.180   15.401   69.349   14.370   94.683   23.867   54.944   17.997  155.325   22.887  117.704   22.917 37.62151 32.38843 
1 1 1   20   60    1 o   63.322   20.942   15.055   10.678   46.385   21.430   4.7076   12.316  104.227   28.766   51.286   21.235 52.94128 35.75529 
1 1 1   20   60    2 o   59.707   20.484   12.989   10.211   24.571   21.528   9.6272   11.599   79.387   29.448   56.088   21.436 23.29885 36.42367 
1 1 1   20   60    3 o  134.512   12.082   65.323   11.128   52.585   22.587   69.405   12.787  110.185   29.162  137.954   13.568 -27.76872 32.16433 
1 1 1   20   60    4 o  128.424   12.810   60.014   11.234   70.341   21.799   56.280   13.109  131.038   24.948  122.803   15.789 8.234436 29.52423 
1 1 1   20   60    5 o   45.689   19.372   2.3990   10.625   17.146   23.208  -1.5118   11.951   72.120   29.428   44.242   19.619 27.87820 35.36790 
1 1 1   20   60    6 o   60.979   23.588   12.513   14.162   19.668   24.274   8.8204   17.437   73.839   30.108   60.168   25.119 13.67140 39.21072 
1 1 1   20   62    0 o   89.028   18.002   30.628   10.711   23.707   20.314   33.293   12.606   77.198   28.611   91.682   20.394 -14.48408 35.13549 
1 1 1   20   62    1 o   55.495   21.814   8.9020   12.266   2.4712   19.802   12.906   15.625   58.400   25.599   63.221   24.687 -4.820541 35.56356 
1 1 1   20   62    2 o   43.202   18.688   0.6018   10.263 -39.9610   19.287   16.621   12.121   38.216   18.975   65.618   22.319 -27.40201 29.29473 
1 1 1   20   62    3 o  121.068   13.505   53.936   11.123   37.010   22.346   59.512   12.825   90.575   30.307  126.420   14.947 -35.84476 33.79268 
1 1 1   20   62    4 o   71.360   22.017   20.714   11.960   22.249   21.623   20.038   14.355   74.931   29.101   70.426   24.280 4.505165 37.90010 
1 1 1   21    1    0 o  375.026   5.4628  486.918   14.179  495.169   20.230  478.951   19.880  378.108   7.7304  371.864   7.7242 6.243225 10.92804 
1 1 1   21    1    1 o  436.760   5.3344  660.406   16.125  659.669   22.764  661.148   22.845  436.427   7.5362  436.915   7.5548 -0.4882202 10.67095 
1 1 1   21    1    2 o  504.888   5.3736  882.500   18.778  876.336   26.347  888.863   26.769  503.021   7.5676  506.600   7.6348 -3.578705 10.74983 
1 1 1   21    1    3 o   89.395   14.149   28.408   8.4628   28.416   12.091   28.400   11.849   88.622   20.166   88.622   19.815 0.2746582E-03 28.27247 
1 1 1   21    1    4 o  739.767   7.1656  1895.13   36.688  1936.58   64.818  1875.59   44.503  747.277   12.533  735.818   8.7387 11.45917 15.27837 
1 1 1   21    1    5 o   66.976   18.889   16.011   9.1346   10.276   12.658   22.244   13.196   61.297   22.611   79.057   22.836 -17.75965 32.13677 
1 1 1   21    1    6 o  731.258   6.1856  1851.58   31.306  1842.60   44.119  1860.69   44.429  729.270   8.7410  732.839   8.7596 -3.569031 12.37478 
1 1 1   21    1    7 o  374.980   5.6603  486.871   14.690  490.718   20.852  483.080   20.699  376.351   8.0054  373.410   8.0090 2.940643 11.32384 
1 1 1   21    1    8 o  235.827   7.4184  192.688   12.108  182.542   16.960  203.235   17.293  229.389   10.682  242.061   10.322 -12.67255 14.85446 
1 1 1   21    1    9 o  331.144   6.3109  379.871   14.464  374.795   20.377  385.025   20.534  328.750   8.9556  333.210   8.9040 -4.460205 12.62870 
1 1 1   21    1   10 o   79.393   23.276   22.602   13.619   27.513   16.370   11.561   24.544   87.372   25.492   76.974   30.665 10.39789 39.87692 
1 1 1   21    1   11 o  100.237   20.527   36.648   13.761   21.946   24.854   43.148   16.526   86.027   31.692  108.511   22.732 -22.48488 39.00217 
1 1 1   21    1   12 o  151.100   11.751   80.167   12.192   72.917   17.274   87.364   17.210  142.674   17.887  156.829   16.083 -14.15428 24.05394 
1 1 1   21    1   13 f  239.583   7.8790  199.736   13.065  211.531   18.856  188.844   18.119  245.896   11.080  232.292   11.270 13.60420 15.80413 
1 1 1   21    1   14 o   56.376   21.073   9.2122   11.066   15.021   16.305   4.2510   15.068   69.248   25.639   56.389   23.430 12.85891 34.73245 
1 1 1   21    1   15 o  133.395   13.465   63.883   12.261   46.249   17.348   81.483   17.331  109.227   23.634  149.286   17.081 -40.05903 29.16067 
1 1 1   21    1   16 o   49.267   20.163   4.4655   10.937   16.342   15.451  -7.4592   15.483   68.416   25.021   46.707   21.364 21.70890 32.90090 
1 1 1   21    1   17 o  111.337   15.170   46.068   11.385   55.300   16.419   37.516   15.802  118.913   20.701   95.696   23.923 23.21712 31.63626 
1 1 1   21    1   18 o  108.003   15.167   43.984   11.025   41.700   15.537   46.301   15.648  100.127   22.915  106.371   21.981 -6.243965 31.75347 
1 1 1   21    1   19 o   55.668   20.721   11.531   10.677   10.479   13.437   13.332   17.588   56.370   22.610   62.070   25.506 -5.700424 34.08426 
1 1 1   21    3    0 o  949.217   7.2644  3120.38   47.724  3157.76   68.252  3084.62   66.758  954.515   10.331  943.412   10.224 11.10303 14.53502 
1 1 1   21    3    1 o  222.398   6.7264  171.274   10.354  175.378   14.915  167.456   14.384  224.972   9.5788  219.836   9.4537 5.135498 13.45833 
1 1 1   21    3    2 o  732.371   6.1516  1857.12   31.182  1909.79   45.174  1809.18   43.095  742.480   8.7907  722.674   8.6160 19.80640 12.30904 
1 1 1   21    3    3 o  440.455   5.3170  671.612   16.209  683.234   23.191  660.514   22.663  444.162   7.5438  436.717   7.4981 7.445374 10.63628 
1 1 1   21    3    4 o  568.349   7.9246  1118.79   31.172  1118.79   31.172   0.0000   0.0000  568.349   7.9246  ?   ?  0.000000 7.924601 
1 1 1   21    3    5 o  598.794   8.0136  1241.92   33.211  1241.92   33.211   0.0000   0.0000  598.794   8.0136  ?   ?  0.000000 8.013563 
1 1 1   21    3    6 o  559.231   5.6756  1082.79   21.967  1044.39   30.922  1121.92   31.214  549.082   8.1367  569.110   7.9244 -20.02826 11.35791 
1 1 1   21    3    7 o  204.589   7.5776  144.998   10.730  145.248   14.939  144.732   15.421  204.391   10.597  203.992   10.963 0.3989410 15.24711 
1 1 1   21    3    8 o   80.671   18.857   23.600   10.339   19.896   14.429   27.510   14.824   76.105   24.284   87.234   23.862 -11.12931 34.04569 
1 1 1   21    3    9 o   63.192   22.575   11.985   12.485   8.7315   14.838   19.873   23.106   62.234   24.125   83.201   30.572 -20.96722 38.94393 
1 1 1   21    3   10 o  324.688   6.6298  365.351   14.898  375.278   21.073  355.430   21.066  328.844   9.2588  320.004   9.5117 8.839539 13.27397 
1 1 1   21    3   11 o   93.085   18.984   31.531   11.816   38.109   16.826   25.130   16.598  101.654   24.254   83.930   25.944 17.72427 35.51543 
1 1 1   21    3   12 o  146.351   13.900   75.685   13.910   63.659   25.093   81.021   16.714  129.949   28.669  150.911   16.259 -20.96211 32.95871 
1 1 1   21    3   13 o   65.492   21.720   14.888   11.483  -0.1285   16.591   28.698   15.910   55.340   23.850   87.431   25.023 -32.09074 34.56840 
1 1 1   21    3   14 o  144.216   13.576   74.158   13.392   92.829   23.331   64.985   16.354  158.083   21.914  133.349   18.194 24.73360 28.48208 
1 1 1   21    3   15 o  192.661   9.0603  130.087   12.081  124.295   17.141  135.806   17.031  186.510   13.367  195.303   12.668 -8.792496 18.41618 
1 1 1   21    3   16 o  163.564   12.107   95.759   13.608  100.145   16.759   87.268   23.316  165.986   14.741  149.736   23.253 16.24965 27.53169 
1 1 1   21    3   17 o   42.502   18.778  -1.4401   10.851   13.283   15.502 -15.5857   15.195   63.803   24.679   40.994   19.512 22.80943 31.46085 
1 1 1   21    3   18 o   87.606   19.160   30.580   11.294   36.350   16.111   25.004   15.837   92.018   24.756   76.643   25.511 15.37425 35.54807 
1 1 1   21    3   19 o   68.969   20.027   19.887   10.125   27.633   14.037   11.487   14.618   78.838   23.760   58.304   23.513 20.53405 33.42760 
1 1 1   21    5    0 o  108.411   12.631   41.313   9.2994   38.530   13.393   43.904   12.922  103.584   19.395  111.086   17.376 -7.501862 26.04023 
1 1 1   21    5    1 o  523.311   5.4570  948.090   19.765  981.794   28.590  917.239   27.354  532.417   7.7587  514.621   7.6798 17.79688 10.91678 
1 1 1   21    5    2 o  440.381   5.3583  671.392   16.332  680.106   23.562  663.335   22.658  443.136   7.6825  437.648   7.4802 5.488586 10.72258 
1 1 1   21    5    3 f  475.616   6.2024  783.228   20.417  831.220   37.242  762.605   24.413  489.697   10.988  469.255   7.5168 20.44156 13.31330 
1 1 1   21    5    4 f  461.561   5.3545  737.522   17.105  759.414   24.614  717.074   23.788  468.269   7.5945  455.030   7.5533 13.23911 10.71121 
1 1 1   21    5    5 o  211.571   7.0142  155.011   10.271  156.190   14.508  153.827   14.543  212.302   9.8737  210.686   9.9732 1.615112 14.03405 
1 1 1   21    5    6 o  420.457   5.4895  612.061   15.975  631.677   22.825  593.228   22.365  427.043   7.7226  413.838   7.8085 13.20490 10.98233 
1 1 1   21    5    7 o  638.117   5.9039  1410.03   26.074  1409.29   37.011  1410.76   36.740  637.740   8.3850  638.079   8.3194 -0.3387451 11.81191 
1 1 1   21    5    8 o  602.208   6.7615  1256.27   28.182  1238.03   34.028  1296.10   50.285  597.675   8.2261  611.032   11.891 -13.35730 14.45866 
1 1 1   21    5    9 o   72.486   21.051   18.768   11.187   30.565   15.720   6.6664   15.922   91.644   24.365   61.586   24.644 30.05825 34.65458 
1 1 1   21    5   10 o  298.530   6.9781  308.911   14.418  339.990   20.191  276.573   20.596  312.987   9.3206  282.177   10.546 30.81046 14.07438 
1 1 1   21    5   11 o  201.079   9.0842  140.443   12.642  129.679   17.517  152.144   18.264  192.375   13.237  208.538   12.715 -16.16290 18.35473 
1 1 1   21    5   12 o  138.355   12.546   67.457   11.883   55.743   16.983   78.692   16.633  123.704   20.558  148.628   16.445 -24.92393 26.32576 
1 1 1   21    5   13 o  315.873   9.2593  347.985   20.243   0.0000   0.0000  347.985   20.243  ?   ?   315.873   9.2593 0.000000 9.259350 
1 1 1   21    5   14 o  126.650   13.535   57.335   11.681   59.372   16.568   55.322   16.471  126.837   19.497  122.079   20.200 4.757256 28.07483 
1 1 1   21    5   15 o  108.224   15.463   42.792   11.253   41.879   16.121   43.660   15.715  104.027   23.001  106.697   22.011 -2.669777 31.83635 
1 1 1   21    5   16 o  104.979   15.854   40.812   11.160   17.834   15.869   63.297   15.698   70.403   25.416  130.132   17.903 -59.72934 31.08868 
1 1 1   21    5   17 f   48.164   20.795   1.3260   12.659   2.0895   15.598  -0.1473   21.666   53.137   23.013   58.991   26.274 -5.854233 34.92689 
1 1 1   21    5   18 o   66.054   21.409   17.520   11.181   13.090   15.634   22.158   15.998   62.350   24.589   72.944   25.604 -10.59383 35.49911 
1 1 1   21    5   19 o   47.902   19.477   6.1130   10.121   2.8771   14.086   9.5674   14.554   49.624   21.676   56.228   23.164 -6.603134 31.72400 
1 1 1   21    7    0 o  395.518   5.5210  541.582   15.113  565.822   21.809  519.187   20.963  404.188   7.7962  387.172   7.8230 17.01584 11.04445 
1 1 1   21    7    1 o  637.073   5.8146  1405.17   25.638  1454.78   37.350  1360.96   35.256  648.063   8.3272  626.831   8.1266 21.23181 11.63544 
1 1 1   21    7    2 o  763.465   6.3073  2018.19   33.328  2068.48   48.151  1971.93   46.177  772.702   9.0036  754.467   8.8432 18.23480 12.62008 
1 1 1   21    7    3 o  403.253   6.2127  563.028   17.339  567.346   21.561  555.122   29.174  404.740   7.6968  400.216   10.532 4.524261 13.04496 
1 1 1   21    7    4 o  190.399   7.5039  125.548   9.8885  121.920   14.025  129.134   13.944  187.234   10.870  192.743   10.492 -5.508804 15.10759 
1 1 1   21    7    5 o  443.554   5.4122  681.118   16.615  676.017   23.576  686.151   23.419  441.794   7.7104  445.099   7.6020 -3.304565 10.82776 
1 1 1   21    7    6 o  1037.65   7.7564  3729.67   55.704  3696.90   78.170  3763.47   79.400  1032.59   10.938  1041.83   11.012 -9.241333 15.52067 
1 1 1   21    7    7 o  408.313   7.8489  577.619   22.181  602.439   31.036  551.707   31.711  416.779   10.759  398.783   11.489 17.99582 15.74076 
1 1 1   21    7    8 o  160.692   10.294   89.939   11.389   96.026   15.760   83.286   16.477  165.643   13.875  153.921   15.686 11.72191 20.94155 
1 1 1   21    7    9 o  110.385   15.386   43.244   11.435   28.866   15.871   58.766   16.490   89.254   24.801  128.301   19.157 -39.04778 31.33837 
1 1 1   21    7   10 o  487.789   5.9492  824.406   20.085  824.982   28.190  823.812   28.623  487.670   8.3519  487.306   8.4868 0.3648987 11.90717 
1 1 1   21    7   11 o  162.978   10.903   92.838   12.228   76.538   17.189  109.537   17.398  146.732   17.256  176.492   14.368 -29.76082 22.45434 
1 1 1   21    7   12 o   71.813   22.987   18.201   12.921  -2.3112   21.715   29.444   16.077   61.845   26.966   89.060   25.038 -27.21477 36.79778 
1 1 1   21    7   13 o  287.751   6.8657  287.801   13.673  318.712   19.434  257.496   19.242  302.258   9.2896  271.450   10.242 30.80838 13.82735 
1 1 1   21    7   14 o   58.589   22.437   9.3565   12.723 -18.5512   23.132   21.460   15.234   53.585   25.061   76.472   25.000 -22.88735 35.39882 
1 1 1   21    7   15 o  166.563   10.102   97.913   11.590   97.590   16.982   98.194   15.859  164.346   15.098  165.348   13.989 -1.001633 20.58269 
1 1 1   21    7   16 o  148.663   11.205   78.854   11.444  104.027   16.319   54.497   16.052  169.482   14.039  119.382   20.145 50.09982 24.55382 
1 1 1   21    7   17 o  139.993   13.756   71.740   13.156   78.249   16.815   61.463   21.127  144.134   17.195  121.497   25.915 22.63736 31.10060 
1 1 1   21    7   18 o   72.537   23.005   21.864   12.964   21.520   15.866   22.556   22.488   72.040   25.479   74.719   29.483 -2.679161 38.96682 
1 1 1   21    7   19 o   59.226   20.541   14.146   10.282   15.302   14.453   12.961   14.631   62.198   23.891   59.682   23.707 2.515938 33.65728 
1 1 1   21    9    0 f  500.885   5.5037  868.565   19.080  864.770   26.978  872.363   26.987  499.686   7.8007  501.876   7.7694 -2.190582 11.00968 
1 1 1   21    9    1 o  454.080   5.4323  713.816   17.073  731.917   24.761  697.413   23.571  459.705   7.7824  448.747   7.5893 10.95776 10.87030 
1 1 1   21    9    2 o  470.785   7.5666  767.587   24.655   0.0000   0.0000  767.587   24.655  ?   ?   470.785   7.5666 0.000000 7.566644 
1 1 1   21    9    3 o  846.291   6.7103  2479.99   39.304  2497.98   55.966  2462.49   55.210  849.094   9.5234  843.047   9.4622 6.046387 13.42491 
1 1 1   21    9    4 o  498.664   5.4313  860.873   18.745  869.052   26.849  853.095   26.182  500.921   7.7443  496.308   7.6222 4.613586 10.86610 
1 1 1   21    9    5 o  787.698   6.4541  2148.49   35.186  2170.03   50.243  2127.75   49.292  791.390   9.1728  783.653   9.0882 7.737305 12.91267 
1 1 1   21    9    6 o  278.273   7.4106  268.217   14.273  287.713   17.532  229.902   24.577  288.155   8.7906  256.967   13.870 31.18878 16.42150 
1 1 1   21    9    7 f  181.239   10.360  114.281   12.941  127.020   16.124   91.220   21.695  190.912   12.268  160.524   19.958 30.38795 23.42696 
1 1 1   21    9    8 o  197.902   8.6318  135.771   11.823  124.262   16.797  147.072   16.644  188.684   12.941  205.488   11.752 -16.80396 17.48058 
1 1 1   21    9    9 o  275.805   7.0132  263.607   13.387  291.918   18.909  235.154   18.956  290.075   9.4185  260.268   10.523 29.80682 14.12272 
1 1 1   21    9   10 o  397.599   6.1536  547.805   16.934  543.449   23.707  552.343   24.197  395.752   8.6550  398.964   8.7629 -3.211853 12.31661 
1 1 1   21    9   11 o   93.039   20.845   31.759   13.090   31.346   21.336   32.008   16.576   93.463   29.499   93.151   25.131 0.3113708 38.75218 
1 1 1   21    9   12 o   96.397   18.030   33.891   11.587   43.207   16.286   24.343   16.488  107.966   22.524   82.141   25.932 25.82504 34.34801 
1 1 1   21    9   13 o  350.536   6.3263  426.861   15.348  443.011   21.940  411.382   21.479  356.436   8.8935  343.435   9.0363 13.00186 12.67865 
1 1 1   21    9   14 o  190.728   9.1624  127.226   12.095  123.025   17.369  131.181   16.853  185.921   13.592  192.335   12.732 -6.413635 18.62369 
1 1 1   21    9   15 o  141.180   13.398   71.575   12.935   66.732   22.817   73.869   15.701  129.968   26.269  142.266   16.237 -12.29776 30.88201 
1 1 1   21    9   16 o   48.548   20.579   2.3275   11.987  -4.0714   14.718   14.937   20.660   47.637   21.403   70.575   28.128 -22.93776 35.34552 
1 1 1   21    9   17 o   76.239   20.224   23.088   10.847   21.744   15.380   24.418   15.301   73.691   25.141   77.233   25.045 -3.541252 35.48667 
1 1 1   21    9   18 o  120.343   13.275   53.605   10.873   62.595   15.765   45.450   15.015  126.487   18.561  105.572   21.284 20.91508 28.24058 
1 1 1   21    9   19 o   58.792   23.935   11.847   15.309   20.780   20.600   0.8278   22.878   69.386   27.937   56.893   26.003 12.49250 38.16585 
1 1 1   21   11    0 o  403.064   5.5730  562.438   15.547  557.960   22.099  566.826   21.875  401.370   7.9553  404.552   7.8126 -3.182098 11.15007 
1 1 1   21   11    1 o  379.259   7.6547  498.150   20.093   0.0000   0.0000  498.150   20.093  ?   ?   379.259   7.6547 0.000000 7.654721 
1 1 1   21   11    2 o  806.625   6.5690  2252.90   36.673  2289.74   52.476  2217.72   51.272  812.956   9.3265  800.075   9.2591 12.88080 13.14212 
1 1 1   21   11    3 o  218.845   6.9554  165.846   10.535  164.296   15.000  167.354   14.799  217.745   9.9534  219.769   9.7297 -2.023300 13.91896 
1 1 1   21   11    4 o  539.216   6.4157  1006.75   23.943  988.193   29.076  1045.85   42.201  534.144   7.8651  549.271   11.101 -15.12628 13.60483 
1 1 1   21   11    5 o  614.772   8.2454  1309.25   35.083  1309.25   35.083   0.0000   0.0000  614.772   8.2454  ?   ?  0.000000 8.245397 
1 1 1   21   11    6 o  290.174   7.3053  291.654   14.672  300.736   18.064  274.049   25.149  294.593   8.8595  281.001   12.931 13.59149 15.67516 
1 1 1   21   11    7 o  520.714   6.6265  939.155   23.881  951.299   29.617  916.585   40.377  523.947   8.1673  513.972   11.351 9.975891 13.98363 
1 1 1   21   11    8 o  406.929   6.6766  573.665   18.804  534.146   30.289  598.449   23.986  392.279   11.156  415.499   8.3410 -23.21991 13.92949 
1 1 1   21   11    9 o  292.189   6.9287  295.864   14.012  278.439   19.663  313.844   19.972  283.234   10.030  300.741   9.5954 -17.50656 13.88098 
1 1 1   21   11   10 f  121.956   15.790   52.793   13.015   60.390   21.375   48.317   16.407  128.544   24.925  115.430   21.322 13.11351 32.80087 
1 1 1   21   11   11 o  274.258   7.1783  260.996   13.626  243.723   18.930  279.564   19.628  264.647   10.335  283.488   10.004 -18.84106 14.38365 
1 1 1   21   11   12 o  113.835   14.777   46.292   11.368   51.342   15.680   40.695   16.506  118.636   19.794  104.416   23.417 14.22002 30.66173 
1 1 1   21   11   13 o   98.010   16.716   35.043   10.932   19.374   15.269   51.525   15.659   74.230   25.051  118.295   19.828 -44.06434 31.94868 
1 1 1   21   11   14 o  100.527   17.011   37.177   11.414   19.272   16.599   53.235   15.720   74.214   26.079  119.706   19.656 -45.49222 32.65714 
1 1 1   21   11   15 o  134.203   13.823   64.938   12.656   97.001   16.039   12.029   20.603  164.079   14.265   69.067   27.893 95.01192 31.32902 
1 1 1   21   11   16 o   47.136   20.342   0.7404   12.101  -5.8732   21.405   3.8472   14.671   56.092   25.448   54.000   22.821 2.091709 34.18225 
1 1 1   21   11   17 o   99.061   16.519   37.228   10.927   43.687   15.586   30.984   15.324  104.040   22.314   86.237   24.515 17.80283 33.14977 
1 1 1   21   11   18 o   95.802   19.416   36.766   12.433   63.024   22.117   24.635   15.033  118.843   27.443   75.797   24.838 43.04623 37.01412 
1 1 1   21   11   19 o   56.242   20.423   12.364   10.269   14.189   13.993   10.234   15.116   60.348   23.418   56.875   23.535 3.473343 33.20124 
1 1 1   21   13    0 o  880.774   6.9481  2686.29   42.355  2654.40   59.414  2719.24   60.397  875.254   9.8079  885.875   9.8507 -10.62079 13.90074 
1 1 1   21   13    1 o  194.866   7.7816  131.512   10.495  129.206   14.812  133.838   14.873  192.747   11.151  196.195   10.997 -3.448242 15.66123 
1 1 1   21   13    2 o  573.755   5.6385  1139.69   22.390  1104.91   31.083  1177.19   32.280  564.815   7.9514  582.992   8.0002 -18.17749 11.27954 
1 1 1   21   13    3 o  372.161   7.8782  479.712   20.293  479.712   20.293   0.0000   0.0000  372.161   7.8782  ?   ?  0.000000 7.878222 
1 1 1   21   13    4 o  257.291   9.4441  229.380   16.818  229.380   16.818   0.0000   0.0000  257.291   9.4441  ?   ?  0.000000 9.444124 
1 1 1   21   13    5 o  233.930   8.1860  189.576   13.254  197.056   16.365  175.317   22.595  238.441   9.9164  224.224   14.640 14.21684 17.68229 
1 1 1   21   13    6 o  142.999   12.710   71.530   12.448   63.835   15.727   84.439   20.368  134.354   17.316  154.470   19.485 -20.11594 26.06720 
1 1 1   21   13    7 o  385.373   6.8379  514.457   18.238  502.288   22.377  538.537   31.477  380.684   8.4931  393.921   11.545 -13.23721 14.33275 
1 1 1   21   13    8 o  462.592   8.3626  741.861   26.774  741.861   26.774   0.0000   0.0000  462.592   8.3626  ?   ?  0.000000 8.362574 
1 1 1   21   13    9 o  245.735   10.474  209.682   17.814  198.585   24.273  222.634   26.225  238.293   14.791  252.309   15.087 -14.01619 21.12782 
1 1 1   21   13   10 o   85.665   20.128   26.823   11.731   31.403   16.712   22.373   16.472   92.582   25.342   80.325   25.979 12.25677 36.29217 
1 1 1   21   13   11 o  332.622   6.5312  383.782   15.035  362.551   20.817  406.935   21.739  322.892   9.3152  342.110   9.1813 -19.21777 13.07932 
1 1 1   21   13   12 o   47.669   19.750   2.4887   10.662   14.126   14.681 -10.4993   15.510   67.461   24.432   46.141   21.207 21.31997 32.35219 
1 1 1   21   13   13 o  160.232   10.431   90.227   11.505   90.678   16.509   89.801   16.042  159.300   15.156  158.644   14.781 0.6558533 21.17029 
1 1 1   21   13   14 o   64.528   24.766   11.861   15.522   11.861   15.522   0.0000   0.0000   64.528   24.766  ?   ?  0.000000 24.76552 
1 1 1   21   13   15 o  187.014   9.0604  122.762   11.727  143.770   16.913  103.309   16.275  200.885   12.223  169.389   14.008 31.49608 18.59095 
1 1 1   21   13   16 o  189.194   8.8211  126.005   11.551  121.253   16.966  130.111   15.770  183.096   13.483  190.533   12.020 -7.436386 18.06305 
1 1 1   21   13   17 o  115.060   16.395   49.999   12.687   58.439   23.217   46.405   15.149  114.978   29.138  107.997   21.024 6.980835 35.93080 
1 1 1   21   13   18 o   66.043   20.554   17.733   10.398   13.627   14.354   22.266   15.083   61.560   23.765   72.416   24.892 -10.85540 34.41540 
1 1 1   21   13   19 o   79.099   19.120   26.164   10.351   22.573   13.984   30.517   15.396   70.673   23.974   80.793   24.989 -10.11984 34.62931 
1 1 1   21   15    0 o  338.332   6.7011  396.363   15.692  404.000   27.133  392.525   19.235  341.378   11.484  336.638   8.2555 4.740448 14.14314 
1 1 1   21   15    1 o  282.569   8.5997  276.584   16.818   0.0000   0.0000  276.584   16.818  ?   ?   282.569   8.5997 0.000000 8.599702 
1 1 1   21   15    2 o  268.091   7.3467  248.905   13.632  257.336   16.704  232.098   23.586  272.548   8.8554  258.331   13.236 14.21725 15.92531 
1 1 1   21   15    3 o  718.368   7.1196  1787.12   35.398  1773.48   43.162  1815.12   61.863  715.495   8.7161  723.452   12.355 -7.957520 15.12014 
1 1 1   21   15    4 o  415.291   6.5177  597.216   18.734  612.102   23.264  569.756   31.597  420.366   7.9960  405.371   11.262 14.99460 13.81187 
1 1 1   21   15    5 o  436.853   6.5302  660.894   19.744  642.597   24.174  697.561   34.220  430.678   8.1098  448.507   11.024 -17.82855 13.68553 
1 1 1   21   15    6 o  170.234   11.100  100.952   13.006  106.311   16.284   91.512   21.615  174.434   13.596  160.811   19.841 13.62384 24.05263 
1 1 1   21   15    7 o  575.021   6.7778  1145.44   26.974  1161.30   33.479  1116.10   45.540  578.830   8.3570  567.033   11.604 11.79626 14.30008 
1 1 1   21   15    8 o  504.099   6.8218  880.493   23.801  852.434   28.797  940.976   42.280  495.842   8.3913  520.483   11.737 -24.64136 14.42788 
1 1 1   21   15    9 o  315.898   9.1593  346.295   20.026  332.390   27.437  362.146   29.295  309.079   12.826  322.577   13.122 -13.49731 18.34889 
1 1 1   21   15   10 o  245.537   9.0645  209.372   15.404  219.571   19.279  191.366   25.617  251.226   11.088  233.350   15.957 17.87569 19.43125 
1 1 1   21   15   11 o   74.709   21.411   20.343   11.641  -3.5749   16.522   43.918   16.404   52.980   23.300  109.126   22.467 -56.14544 32.36755 
1 1 1   21   15   12 o  221.383   11.512  171.939   17.578  171.939   17.578   0.0000   0.0000  221.383   11.512  ?   ?  0.000000 11.51175 
1 1 1   21   15   13 o   89.499   21.152   30.167   12.895   11.498   24.018   37.727   15.285   73.684   29.987   99.821   22.644 -26.13748 37.57563 
1 1 1   21   15   14 o  213.640   9.8214  160.117   14.522  167.509   18.036  146.488   24.489  217.470   12.029  200.573   17.827 16.89731 21.50569 
1 1 1   21   15   15 o  181.224   13.752  118.145   17.120  118.145   17.120   0.0000   0.0000  181.224   13.752  ?   ?  0.000000 13.75190 
1 1 1   21   15   16 o   65.810   20.735   16.601   10.546   26.901   15.313   7.3092   14.545   81.498   24.873   56.956   23.275 24.54151 34.06446 
1 1 1   21   15   17 o  190.682   10.158  129.918   13.358  130.488   22.965  129.627   16.421  184.896   18.181  188.857   12.636 -3.961868 22.14080 
1 1 1   21   15   18 o   77.167   21.340   24.901   11.780   32.600   19.798   20.681   14.658   83.687   28.524   70.091   24.514 13.59588 37.61047 
1 1 1   21   17    0 o  273.508   7.6546  259.080   14.490  251.092   17.622  275.756   25.462  269.202   9.4580  281.958   13.047 -12.75674 16.11483 
1 1 1   21   17    1 f  510.080   6.4870  900.898   22.901  859.724   27.246 1000.000   42.271  498.218   7.9015  537.080   11.372 -38.86270 13.84738 
1 1 1   21   17    2 o  230.989   8.1837  184.817   13.083  184.714   15.998  185.024   22.736  230.870   10.012  230.452   14.325 0.4181213 17.47715 
1 1 1   21   17    3 o  126.900   11.791   56.322   10.237   64.974   14.637   48.037   14.323  135.856   15.866  116.117   18.438 19.73928 24.32474 
1 1 1   21   17    4 o  398.421   6.6667  549.726   18.384  557.172   22.721  535.610   31.283  401.037   8.1858  392.992   11.501 8.045197 14.11688 
1 1 1   21   17    5 f  736.480   7.3036  1878.86   37.229  1885.02   45.786  1866.83   63.952  737.504   8.9700  733.412   12.599 4.092285 15.46577 
1 1 1   21   17    6 o  380.438   5.9774  501.234   15.739  471.694   22.072  531.793   22.449  368.906   8.6446  391.729   8.2802 -22.82211 11.97043 
1 1 1   21   17    7 o  573.530   5.8885  1139.27   23.374  1127.90   33.335  1150.27   32.784  570.406   8.4437  576.059   8.2229 -5.653076 11.78610 
1 1 1   21   17    8 o  406.389   6.8490  572.294   19.264  590.732   33.658  563.312   23.492  412.336   11.794  403.048   8.4215 9.287781 14.49204 
1 1 1   21   17    9 o  173.785   12.192  105.575   14.571  126.448   18.075   66.829   24.626  190.012   13.839  134.899   27.313 55.11223 30.61870 
1 1 1   21   17   10 o  328.654   7.6448  374.827   17.389  368.420   21.306  387.610   30.095  325.594   9.4547  333.328   13.045 -7.734741 16.11095 
1 1 1   21   17   11 o  195.443   10.590  133.554   14.272  140.885   17.942  120.927   23.549  200.236   13.017  183.906   18.764 16.33028 22.83704 
1 1 1   21   17   12 o   89.548   21.435   29.988   13.108   16.108   16.383   54.683   21.853   71.229   25.808  119.714   27.016 -48.48456 37.36195 
1 1 1   21   17   13 o   63.213   24.535   10.492   15.363   10.492   15.363   0.0000   0.0000   63.213   24.535  ?   ?  0.000000 24.53538 
1 1 1   21   17   14 o   50.325   20.060   5.4990   10.509  -4.0813   15.104   14.491   14.632   48.990   21.869   66.509   24.345 -17.51889 32.72520 
1 1 1   21   17   15 o   77.044   20.114   22.906   10.840   37.579   15.493   8.8339   15.173   97.595   23.266   59.916   24.028 37.67891 33.44633 
1 1 1   21   17   16 o   57.425   21.763   10.445   11.892   27.976   20.114   1.0246   14.745   82.581   28.725   51.297   22.295 31.28374 36.36225 
1 1 1   21   17   17 o  103.973   15.641   40.830   10.907   43.143   15.630   38.635   15.227  102.563   22.626   96.605   23.089 5.957565 32.32666 
1 1 1   21   17   18 o   73.800   19.375   22.307   10.022   37.603   14.044   6.4355   14.307   94.504   21.900   53.596   22.587 40.90790 31.46116 
1 1 1   21   19    0 o  581.366   6.7375  1170.39   27.110  1160.84   32.857  1190.73   47.981  578.901   8.2006  586.001   11.830 -7.100159 14.39469 
1 1 1   21   19    1 o  140.341   12.549   68.856   12.061   60.831   15.133   82.829   19.968  131.217   17.067  153.110   19.270 -21.89328 25.74183 
1 1 1   21   19    2 f  187.984   8.4209  122.420   10.956   97.332   15.254  149.152   15.746  166.959   13.311  207.125   11.024 -40.16609 17.28345 
1 1 1   21   19    3 o  245.697   7.0438  209.071   11.978  223.468   17.529  196.460   16.406  253.914   9.9744  238.076   9.9566 15.83736 14.09333 
1 1 1   21   19    4 o  532.836   6.5923  983.259   24.311  1012.24   30.285  930.732   40.770  540.527   8.0952  518.015   11.372 22.51135 13.95881 
1 1 1   21   19    5 o  298.314   7.4641  308.299   15.411  310.904   19.487  303.951   25.179  299.474   9.4019  295.923   12.294 3.550812 15.47679 
1 1 1   21   19    6 o  492.899   5.7638  841.375   19.663  816.000   27.724  867.060   27.892  485.218   8.2553  500.187   8.0569 -14.96902 11.53534 
1 1 1   21   19    7 o  207.652   9.8828  149.599   14.203  153.707   24.763  147.584   17.339  209.244   17.253  205.750   12.231 3.494110 21.14850 
1 1 1   21   19    8 o  335.297   6.4439  389.553   14.954  410.112   22.002  371.903   20.386  343.796   9.2468  327.412   8.9964 16.38376 12.90110 
1 1 1   21   19    9 o  407.220   6.1177  574.701   17.242  575.126   24.752  574.300   24.033  407.055   8.7857  406.797   8.5359 0.2580566 12.24950 
1 1 1   21   19   10 o  308.992   6.6842  331.182   14.295  324.823   20.425  337.288   20.013  305.618   9.6561  311.485   9.2830 -5.866943 13.39455 
1 1 1   21   19   11 o  143.781   11.749   72.725   11.589   84.547   16.658   61.636   16.134  154.137   15.841  130.689   18.342 23.44780 24.23528 
1 1 1   21   19   12 o  189.671   19.745  130.390   25.540  130.390   25.540   0.0000   0.0000  189.671   19.745  ?   ?  0.000000 19.74498 
1 1 1   21   19   13 o  106.308   18.240   41.720   12.937   48.977   15.731   26.561   22.737  114.491   20.611   85.936   30.489 28.55512 36.80212 
1 1 1   21   19   14 o  114.255   14.196   47.246   10.984   59.566   15.800   35.725   15.280  126.685   18.572   95.842   23.269 30.84375 29.77143 
1 1 1   21   19   15 o   94.297   18.880   33.906   11.892   52.732   19.874   23.405   14.843  114.350   25.733   77.344   24.625 37.00645 35.61684 
1 1 1   21   19   16 o  130.202   17.666   64.091   15.509   0.0000   0.0000   64.091   15.509  ?   ?   130.202   17.666 0.000000 17.66603 
1 1 1   21   19   17 o  194.321   8.7169  133.779   11.724  141.871   16.954  126.365   16.229  197.391   12.474  186.104   12.675 11.28752 17.78374 
1 1 1   21   19   18 o   80.397   18.552   26.231   10.113   37.038   14.300   15.419   14.304   92.970   22.472   62.827   23.854 30.14272 32.77237 
1 1 1   21   21    0 o  286.771   6.6708  284.786   13.240  274.906   18.579  294.981   18.873  281.652   9.5308  291.763   9.3463 -10.11072 13.34879 
1 1 1   21   21    1 o  436.553   5.7011  659.849   17.226  626.302   23.990  695.554   24.750  425.197   8.1519  448.099   7.9802 -22.90125 11.40781 
1 1 1   21   21    2 o  552.628   5.7772  1057.43   22.097  1004.17   30.465  1116.56   32.097  538.381   8.1760  567.711   8.1689 -29.33038 11.55755 
1 1 1   21   21    3 o  143.473   11.334   71.838   11.163   79.671   15.914   64.250   15.664  150.628   15.485  134.837   17.175 15.79149 23.12507 
1 1 1   21   21    4 o  469.398   11.392  764.390   37.011   0.0000   0.0000  764.390   37.011  ?   ?   469.398   11.392 0.000000 11.39241 
1 1 1   21   21    5 o  261.647   8.2003  237.252   14.850  232.285   18.268  246.927   25.496  258.791   10.199  266.210   13.886 -7.418976 17.22910 
1 1 1   21   21    6 o  176.178   11.027  108.151   13.378  100.293   23.539  111.900   16.260  168.139   20.663  178.956   13.221 -10.81657 24.53057 
1 1 1   21   21    7 o  129.662   13.262   59.071   11.734   36.787   17.141   78.721   16.096  100.282   24.828  149.481   15.798 -49.19860 29.42822 
1 1 1   21   21    8 o  287.941   7.0297  287.400   14.009  270.418   20.164  303.245   19.478  279.022   10.441  295.565   9.5217 -16.54272 14.13107 
1 1 1   21   21    9 o  250.079   7.7542  216.990   13.421  252.554   19.523  185.122   18.481  269.506   10.467  230.322   11.631 39.18419 15.64696 
1 1 1   21   21   10 o  124.241   13.785   54.659   11.654   74.806   17.138   37.329   15.895  144.732   17.461  100.332   23.331 44.39992 29.14139 
1 1 1   21   21   11 o  155.372   13.229   85.298   14.090   86.827   17.455   82.439   23.871  155.915   16.423  149.355   23.899 6.560577 28.99762 
1 1 1   21   21   12 o  166.125   11.599   97.288   13.253   97.761   16.375   96.390   22.564  165.710   14.421  162.258   20.554 3.452362 25.10823 
1 1 1   21   21   13 o   26.422   13.249 -29.4748   10.460 -19.0720   15.137 -38.9848   14.472   40.168   19.217   31.431   15.734 8.736578 24.83652 
1 1 1   21   21   14 o   55.423   21.986   7.3871   12.568   9.5833   15.248   2.7341   22.195   61.183   24.234   63.563   27.490 -2.379993 36.64687 
1 1 1   21   21   15 f   97.903   19.404   36.780   12.683   35.101   15.380   40.346   22.423   93.633   23.709   97.517   30.156 -3.883537 38.36048 
1 1 1   21   21   16 o   41.556   18.379  -1.5073   10.420 -26.5300   14.905   22.413   14.573   35.650   17.507   74.573   24.455 -38.92299 30.07601 
1 1 1   21   21   17 o  137.329   11.369   68.426   10.709   54.749   15.114   82.215   15.176  117.892   19.182  148.180   15.004 -30.28786 24.35320 
1 1 1   21   21   18 o   40.290   17.762  -0.1544   9.6553   17.566   13.720 -17.5432   13.591   64.907   23.602   36.086   17.498 28.82066 29.38041 
1 1 1   21   23    0 o  306.934   6.4455  326.247   13.692  305.793   19.378  346.643   19.350  297.036   9.4258  316.283   8.8395 -19.24704 12.92217 
1 1 1   21   23    1 o  375.313   6.0272  487.765   15.656  471.133   22.119  504.465   22.164  368.734   8.6671  381.570   8.3925 -12.83655 12.06454 
1 1 1   21   23    2 o  359.475   6.0139  447.478   14.962  432.239   21.185  462.647   21.136  353.176   8.6666  365.405   8.3572 -12.22931 12.03966 
1 1 1   21   23    3 o  312.562   6.4434  338.353   13.939  322.205   19.574  354.966   19.854  304.880   9.2763  320.023   8.9639 -15.14243 12.89963 
1 1 1   21   23    4 o  150.436   13.104   79.192   13.507   67.535   16.568  102.293   23.324  138.126   17.741  170.025   20.217 -31.89958 26.89730 
1 1 1   21   23    5 o  416.143   8.3033  600.259   23.915  555.610   33.139  648.781   34.546  400.016   11.970  432.307   11.546 -32.29102 16.63086 
1 1 1   21   23    6 o  493.695   5.8654  844.235   20.042  833.464   28.366  854.972   28.320  490.304   8.3590  496.603   8.2397 -6.299011 11.73740 
1 1 1   21   23    7 o  567.713   5.9702  1116.57   23.458  1105.74   33.349  1127.18   33.004  564.626   8.5338  570.101   8.3645 -5.474487 11.94949 
1 1 1   21   23    8 o  465.462   5.9681  750.763   19.226  765.893   27.575  736.451   26.821  469.804   8.4805  460.696   8.4117 9.108276 11.94466 
1 1 1   21   23    9 o  346.938   6.3819  417.380   15.324  432.675   22.000  402.966   21.357  352.882   9.0078  340.543   9.0615 12.33871 12.77692 
1 1 1   21   23   10 o  248.688   7.7311  214.880   13.307  219.685   19.023  210.275   18.621  250.949   10.952  245.515   10.958 5.434296 15.49337 
1 1 1   21   23   11 o   55.133   22.167   5.7233   12.950   31.190   23.640  -5.1960   15.479   92.622   31.171   49.583   22.136 43.03882 38.23175 
1 1 1   21   23   12 o   44.875   19.253   0.0841   10.718  -4.0073   15.651   3.6976   14.708   50.444   22.406   55.410   23.096 -4.965897 32.17891 
1 1 1   21   23   13 f  257.713   7.2193  231.536   12.877  247.083   18.676  217.450   17.778  265.266   10.173  248.797   10.324 16.46895 14.49387 
1 1 1   21   23   14 o  165.765   11.340   97.680   12.932   88.390   21.833  102.701   16.051  152.727   21.228  168.910   13.852 -16.18288 25.34783 
1 1 1   21   23   15 o  107.160   17.869   43.433   12.786   51.616   15.456   25.693   22.759  115.860   19.997   81.426   30.263 34.43422 36.27322 
1 1 1   21   23   16 o   38.102   18.043 -12.1609   12.672  -5.4482   15.124 -27.9756   23.214   46.585   21.233   47.471   22.981 -0.8861465 31.28880 
1 1 1   21   23   17 o   42.278   18.414   0.4955   10.100   7.4867   13.949  -7.2110   14.645   54.750   22.628   43.977   20.353 10.77285 30.43498 
1 1 1   21   23   18 o  139.009   12.094   71.689   11.519   71.110   14.626   72.634   18.693  135.226   15.933  131.393   21.284 3.832565 26.58729 
1 1 1   21   25    0 o  440.710   5.9735  672.588   18.221  619.056   25.213  731.106   26.361  422.653   8.6191  459.337   8.2918 -36.68469 11.96006 
1 1 1   21   25    1 o  437.049   5.9682  661.466   18.053  622.518   25.386  701.312   25.678  423.825   8.6544  449.879   8.2469 -26.05365 11.95449 
1 1 1   21   25    2 o  423.223   5.9377  620.290   17.393  573.865   24.092  670.818   25.134  406.921   8.5545  439.977   8.2539 -33.05579 11.88720 
1 1 1   21   25    3 o  379.544   6.2224  498.922   16.345  456.649   22.696  544.472   23.560  362.941   9.0352  396.342   8.5886 -33.40027 12.46595 
1 1 1   21   25    4 o  758.508   7.5753  1993.66   39.768  1929.76   66.551  2029.15   49.597  745.303   12.902  764.958   9.3679 -19.65594 15.94401 
1 1 1   21   25    5 o  291.257   8.2299  294.077   16.590  282.160   20.192  318.829   29.102  285.158   10.231  302.777   13.887 -17.61859 17.24915 
1 1 1   21   25    6 o  293.300   7.0399  298.128   14.291  277.409   20.290  318.523   20.131  282.684   10.371  302.977   9.6002 -20.29285 14.13204 
1 1 1   21   25    7 o  228.647   8.4071  181.361   13.304  174.015   19.028  188.388   18.609  223.315   12.359  232.781   11.551 -9.466431 16.91639 
1 1 1   21   25    8 o   69.576   21.608   17.039   11.498   17.840   16.660   16.311   15.888   74.652   26.133   72.079   25.496 2.572647 36.51013 
1 1 1   21   25    9 o  146.028   11.792   74.854   11.817   67.929   17.155   81.105   16.300  137.610   18.479  151.225   15.807 -13.61510 24.31769 
1 1 1   21   25   10 o   67.263   21.489   15.971   11.296   23.849   15.866   7.8717   16.087   81.090   25.415   62.121   24.801 18.96900 35.51124 
1 1 1   21   25   11 o   42.224   18.821  -3.7904   11.143   1.2104   15.739  -8.8167   15.779   55.000   23.456   47.510   21.668 7.490067 31.93224 
1 1 1   21   25   12 o   98.874   19.282   36.431   12.721   18.044   22.329   45.266   15.478   77.391   29.703  109.817   21.131 -32.42556 36.45295 
1 1 1   21   25   13 o  143.253   12.925   73.365   12.677   63.854   22.312   77.898   15.405  127.544   26.153  146.689   15.403 -19.14505 30.35232 
1 1 1   21   25   14 o   84.481   18.714   27.231   10.654   26.457   14.945   28.031   15.191   81.849   24.482   84.060   24.566 -2.211304 34.68278 
1 1 1   21   25   15 o   93.527   17.140   33.174   10.686   33.185   15.074   33.162   15.152   90.417   23.773   90.340   23.874 0.7772827E-01 33.69108 
1 1 1   21   25   16 o   98.750   22.349   39.796   14.919   39.796   14.919   0.0000   0.0000   98.750   22.349  ?   ?  0.000000 22.34934 
1 1 1   21   25   17 o   43.112   19.861  -5.9206   13.711  -5.9206   13.711   0.0000   0.0000   43.112   19.861  ?   ?  0.000000 19.86085 
1 1 1   21   27    0 o  279.980   7.3245  271.580   14.193  261.404   20.721  280.574   19.481  274.494   10.907  284.445   9.8955 -9.950500 14.72676 
1 1 1   21   27    1 o  194.671   9.5234  131.402   12.831  136.584   18.578  126.675   17.743  197.803   13.654  190.471   13.548 7.331070 19.23454 
1 1 1   21   27    2 o  284.785   7.2688  280.995   14.327  231.425   20.178  331.396   20.346  258.231   11.290  309.142   9.5093 -50.91104 14.76105 
1 1 1   21   27    3 o  445.867   6.9115  688.738   21.328  668.293   36.527  699.316   26.272  438.691   12.030  449.151   8.4514 -10.45950 14.70218 
1 1 1   21   27    4 o  191.038   9.8147  126.941   12.933  111.718   18.382  141.863   18.200  178.534   15.016  201.601   13.115 -23.06683 19.93690 
1 1 1   21   27    5 o  195.130   11.041  132.644   14.850  131.967   18.298  133.951   25.418  194.282   13.695  194.819   19.096 -0.5371704 23.49974 
1 1 1   21   27    6 f  493.463   6.0227  843.678   20.569  808.611   28.859  879.887   29.325  482.793   8.6367  503.654   8.4127 -20.86057 12.05678 
1 1 1   21   27    7 o   74.740   21.674   20.108   11.865   1.2600   16.866   38.576   16.696   57.780   24.447  102.427   23.975 -44.64674 34.24112 
1 1 1   21   27    8 o  275.083   7.2720  262.566   13.845  255.740   19.669  269.270   19.492  271.092   10.483  278.223   10.122 -7.130768 14.57257 
1 1 1   21   27    9 o  119.311   16.375   51.015   13.165   51.719   16.333   49.707   22.244  119.036   20.569  114.694   28.215 4.341522 34.91688 
1 1 1   21   27   10 o  163.603   10.127   93.781   11.410  103.256   16.248   84.561   16.028  170.811   13.863  154.100   15.227 16.71016 20.59253 
1 1 1   21   27   11 o  203.065   8.3698  143.762   11.763  152.683   16.968  135.508   16.322  208.183   11.825  196.007   12.091 12.17593 16.91212 
1 1 1   21   27   12 o  116.752   15.998   49.575   12.587   69.756   21.766   39.434   15.429  135.238   24.140  101.619   22.528 33.61887 33.01907 
1 1 1   21   27   13 f   77.901   19.476   23.131   10.473   17.656   15.291   27.967   14.373   70.643   25.010   84.683   23.627 -14.03996 34.40531 
1 1 1   21   27   14 o  165.673   9.6643   97.096   11.033   70.994   15.864  121.554   15.356  138.423   16.910  184.332   12.104 -45.90913 20.79548 
1 1 1   21   27   15 o   46.907   19.303   4.0388   10.093   15.214   15.012  -5.1797   13.634   65.720   24.548   44.568   20.255 21.15172 31.82551 
1 1 1   21   27   16 o   61.354   20.868   14.479   10.596   27.471   13.716  -4.7449   16.685   81.083   23.242   48.976   22.315 32.10705 32.22060 
1 1 1   21   27   17 o  125.218   11.794   57.630   10.101   68.820   14.854   48.005   13.776  133.464   16.427  109.439   18.869 24.02503 25.01801 
1 1 1   21   29    0 o  212.318   9.5129  156.335   13.979  111.934   20.220  196.988   19.348  178.516   16.554  238.196   11.736 -59.68001 20.29165 
1 1 1   21   29    1 o  311.029   9.9767  335.578   21.477   0.0000   0.0000  335.578   21.477  ?   ?   311.029   9.9767 0.000000 9.976710 
1 1 1   21   29    2 f  200.549   10.918  140.011   15.098  143.463   27.713  138.554   18.004  201.613   20.130  199.236   13.130 2.376709 24.03341 
1 1 1   21   29    3 o  312.435   7.0945  338.258   15.341  335.602   22.013  340.766   21.392  310.981   10.228  313.395   9.8622 -2.413849 14.20800 
1 1 1   21   29    4 o  116.394   16.041   48.101   12.579   74.323   17.868   22.333   17.712  144.745   18.241   81.377   26.975 63.36832 32.56348 
1 1 1   21   29    5 o  149.732   14.549   78.841   14.887   76.441   18.020   84.000   26.422  146.766   18.125  152.133   26.029 -5.366333 31.71805 
1 1 1   21   29    6 o   77.801   21.682   21.945   12.111   38.581   16.894   4.3563   17.371  102.454   24.209   61.314   25.289 41.14017 35.00910 
1 1 1   21   29    7 o  282.350   7.2893  276.568   14.245  278.338   20.115  274.787   20.175  282.906   10.273  281.083   10.371 1.823700 14.59745 
1 1 1   21   29    8 o  306.937   7.9083  327.237   16.800  319.236   20.655  342.878   28.878  302.850   9.8543  313.118   13.325 -10.26782 16.57320 
1 1 1   21   29    9 o   73.075   24.721   18.305   14.870   0.0000   0.0000   18.305   14.870  ?   ?    73.075   24.721 0.000000 24.72137 
1 1 1   21   29   10 o  199.237   8.6253  138.338   11.894  152.826   17.038  124.567   16.611  208.436   11.859  187.839   12.854 20.59660 17.48936 
1 1 1   21   29   11 o   79.023   19.747   23.447   10.770   39.810   15.604   8.5619   14.883  102.431   22.615   60.515   23.951 41.91626 32.94084 
1 1 1   21   29   12 o   59.618   20.781   12.059   10.529   13.978   15.065   10.225   14.723   66.361   24.630   61.671   23.996 4.689327 34.38681 
1 1 1   21   29   13 o   58.551   21.138   11.344   10.976   19.366   20.355   8.0548   13.033   75.476   28.504   56.656   22.417 18.82035 36.26289 
1 1 1   21   29   14 o   43.570   18.605   1.1270   9.9250  -3.8602   14.510   5.5122   13.606   47.344   21.263   54.089   22.352 -6.745087 30.84973 
1 1 1   21   29   15 o   50.055   19.781   6.6294   10.137   15.427   15.102  -0.5846   13.675   65.697   24.606   47.985   21.147 17.71193 32.44405 
1 1 1   21   29   16 o   63.774   19.282   16.180   9.2338   27.735   13.062   4.6386   13.055   81.463   22.448   51.057   21.550 30.40571 31.11798 
1 1 1   21   29   17 o   42.264   17.877   2.7377   9.0142  -9.5891   13.308   13.188   12.253   39.701   18.706   58.749   22.132 -19.04802 28.97837 
1 1 1   21   31    0 o  316.843   8.1973  348.031   17.976  305.171   30.760  370.260   22.152  295.681   15.081  326.679   9.7977 -30.99792 17.98428 
1 1 1   21   31    1 o  369.515   7.7708  473.287   19.873  452.537   35.442  482.804   24.002  360.631   14.200  373.079   9.2954 -12.44803 16.97149 
1 1 1   21   31    2 o  251.224   11.935  219.290   20.752   0.0000   0.0000  219.290   20.752  ?   ?   251.224   11.935 0.000000 11.93512 
1 1 1   21   31    3 o  233.919   8.8926  189.810   14.397  174.731   20.405  204.758   20.316  223.725   13.237  242.709   12.094 -18.98370 17.92997 
1 1 1   21   31    4 o  456.379   6.2627  721.712   19.782  686.023   27.493  760.022   28.485  444.652   8.9335  468.039   8.7933 -23.38672 12.53514 
1 1 1   21   31    5 o  120.390   17.854   51.822   14.426   47.018   17.461   62.146   25.601  113.473   23.021  129.492   29.255 -16.01922 37.22673 
1 1 1   21   31    6 f  240.794   8.4159  201.291   14.026  200.175   19.549  202.475   20.135  239.759   11.781  240.790   12.120 -1.031357 16.90240 
1 1 1   21   31    7 o  257.593   8.7897  230.614   15.671  208.879   19.239  273.463   27.013  244.803   11.355  279.594   13.959 -34.79068 17.99440 
1 1 1   21   31    8 o  158.599   10.962   88.185   11.959   81.084   17.175   94.866   16.661  150.729   16.747  163.667   14.870 -12.93823 22.39612 
1 1 1   21   31    9 o  189.042   9.3190  124.602   12.193  113.824   16.911  136.270   17.596  179.403   13.724  196.590   13.006 -17.18741 18.90740 
1 1 1   21   31   10 o   52.158   20.253   6.6119   10.471   3.9505   15.191   9.0217   14.455   56.482   23.501   60.662   23.728 -4.180309 33.39692 
1 1 1   21   31   11 o  194.784   8.8593  132.633   11.943  141.076   17.864  125.808   16.061  199.332   13.020  188.422   12.385 10.90968 17.96937 
1 1 1   21   31   12 o   83.436   17.761   26.142   9.9419   23.786   15.135   27.931   13.186   78.835   24.841   85.035   22.175 -6.200218 33.29835 
1 1 1   21   31   13 o   90.775   18.623   31.348   11.308   30.804   15.123   32.039   17.030   87.977   24.118   89.167   25.996 -1.189758 35.46097 
1 1 1   21   31   14 o   26.459   13.148 -21.7542   9.3330 -11.3721   13.326 -31.7484   13.075   40.094   18.837   30.618   15.270 9.476055 24.24933 
1 1 1   21   31   15 o   81.103   19.005   25.967   10.481   21.782   14.453   30.610   15.222   73.169   24.372   85.390   24.487 -12.22018 34.54916 
1 1 1   21   31   16 o  101.674   13.437   38.586   9.2241   46.767   13.966   32.256   12.285  108.209   19.359   88.784   20.418 19.42513 28.13631 
1 1 1   21   33    0 o  972.074   8.7859  3277.76   59.110   0.0000   0.0000  3277.76   59.110  ?   ?   972.074   8.7859 0.000000 8.785896 
1 1 1   21   33    1 o  427.603   7.5839  633.885   22.444  636.097   39.558  632.834   27.256  427.538   13.368  427.064   9.2214 0.4740906 16.24033 
1 1 1   21   33    3 o  201.079   10.152  140.783   14.083  138.736   20.106  142.755   19.731  198.937   14.707  201.899   14.211 -2.961334 20.45115 
1 1 1   21   33    4 o  457.577   6.2679  725.677   19.850  692.514   27.485  761.836   28.699  446.652   8.8908  468.481   8.8512 -21.82861 12.54554 
1 1 1   21   33    5 o  434.030   6.2646  653.073   18.819  621.887   25.737  688.906   27.587  423.176   8.7873  445.366   8.9498 -22.19006 12.54254 
1 1 1   21   33    6 o   58.524   24.677   2.0177   17.092   2.0177   17.092   0.0000   0.0000   58.524   24.677  ?   ?  0.000000 24.67747 
1 1 1   21   33    7 o  322.165   6.8131  360.281   15.192  329.619   21.653  390.007   21.320  307.571   10.172  334.769   9.2014 -27.19775 13.71592 
1 1 1   21   33    8 f   91.512   21.372   31.188   13.291   25.054   23.103   34.222   16.249   86.266   30.720   95.372   24.490 -9.106064 39.28691 
1 1 1   21   33    9 f   58.489   20.927   10.793   10.733   16.187   15.406   5.7063   14.961   70.305   25.081   57.980   23.639 12.32541 34.46511 
1 1 1   21   33   10 o  113.681   16.361   46.981   12.502   52.878   21.625   44.020   15.322  116.513   27.295  108.313   21.198 8.199837 34.56017 
1 1 1   21   33   11 o  105.821   14.449   40.570   10.306   47.214   15.315   35.071   13.933  112.013   20.511   95.856   21.528 16.15673 29.73468 
1 1 1   21   33   12 o  107.218   15.773   42.247   11.355   78.049   22.320   29.744   13.190  142.190   23.501   87.549   21.840 54.64172 32.08229 
1 1 1   21   33   13 o   71.675   21.077   19.930   11.152   6.6488   20.259   25.703   13.358   63.249   26.779   80.551   22.885 -17.30151 35.22501 
1 1 1   21   33   14 o  103.327   23.728   43.507   16.611   0.0000   0.0000   43.507   16.611  ?   ?   103.327   23.728 0.000000 23.72832 
1 1 1   21   33   15 o   76.482   19.689   23.466   10.485   42.990   20.258   16.324   12.253   97.881   28.301   64.720   22.425 33.16098 36.10899 
1 1 1   21   33   16 o   51.960   20.013   8.9156   10.160   8.0341   18.731   9.2831   12.094   59.103   25.406   54.275   21.556 4.828197 33.31901 
1 1 1   21   35    0 o  244.918   7.9352  208.059   13.451  169.268   26.194  221.951   15.676  219.289   17.402  252.883   8.9563 -33.59436 19.57147 
1 1 1   21   35    1 o  315.235   8.6978  344.856   18.977  345.268   32.669  344.647   23.313  314.551   15.006  314.913   10.696 -0.3613892 18.42800 
1 1 1   21   35    2 o  145.300   15.874   74.628   15.703   67.854   28.107   77.702   18.934  135.022   30.763  147.653   18.966 -12.63043 36.14005 
1 1 1   21   35    3 f  624.204   6.3992  1350.70   27.646  1250.16   37.526  1470.04   40.884  600.005   9.0365  650.623   9.0793 -50.61823 12.80980 
1 1 1   21   35    4 o  122.029   16.013   53.022   13.197   54.727   18.398   51.215   18.942  122.465   22.536  118.028   24.005 4.437057 32.92625 
1 1 1   21   35    5 o  118.012   18.939   50.307   14.946   41.431   18.393   67.561   25.644  105.505   25.477  134.428   28.449 -28.92377 38.18919 
1 1 1   21   35    6 o  279.564   8.8144  271.843   17.055  270.076   20.852  275.415   29.644  278.295   10.826  279.546   15.381 -1.250366 18.80863 
1 1 1   21   35    7 o  235.718   8.2145  193.295   13.401  183.587   18.855  203.206   19.052  228.751   11.951  241.097   11.417 -12.34508 16.52799 
1 1 1   21   35    8 o   72.077   23.100   18.638   13.046   14.609   15.951   26.776   22.670   68.998   25.394   87.333   30.489 -18.33530 39.67929 
1 1 1   21   35    9 o  195.219   10.229  133.761   13.773  123.122   25.106  138.341   16.473  183.632   20.081  198.000   12.078 -14.36772 23.43393 
1 1 1   21   35   10 o   30.002   14.710 -19.8730   10.389 -22.8345   14.877 -17.0534   14.516   37.947   18.377   40.010   19.052 -2.062992 26.47060 
1 1 1   21   35   11 o  124.466   13.429   55.713   11.385   50.341   21.825   57.722   13.344  111.763   28.212  125.889   15.653 -14.12612 32.26343 
1 1 1   21   35   12 o   77.697   19.710   23.243   10.615   27.912   18.157   20.818   13.084   83.843   27.288   73.555   23.084 10.28826 35.74219 
1 1 1   21   35   13 o  121.254   15.604   54.421   12.791   50.390   19.330   57.561   17.060  110.832   25.699  121.741   21.006 -10.90870 33.19175 
1 1 1   21   35   14 o   53.946   20.247   9.4462   10.236   9.3505   13.857   9.5610   15.186   57.621   23.014   59.206   23.934 -1.584549 33.20375 
1 1 1   21   35   15 o   54.581   19.049   11.013   8.8493   14.818   12.828   7.5576   12.224   62.480   22.806   53.048   21.463 9.432709 31.31737 
1 1 1   21   35   16 o   61.576   20.386   15.565   10.118  -7.0341   17.750   26.441   12.314   47.591   22.156   78.273   21.881 -30.68195 31.13920 
1 1 1   21   37    0 o  266.926   7.6003  247.204   14.041  233.756   27.908  251.762   16.247  258.012   15.703  269.265   8.7181 -11.25333 17.96082 
1 1 1   21   37    1 f   84.722   20.175   26.296   11.660   0.2464   23.452   34.851   13.440   66.574   28.518   97.652   20.536 -31.07729 35.14263 
1 1 1   21   37    2 o  191.518   10.738  128.034   14.176   0.0000   0.0000  128.034   14.176  ?   ?   191.518   10.738 0.000000 10.73820 
1 1 1   21   37    3 o  182.986   9.8730  116.801   12.458  104.732   26.892  120.099   14.057  170.058   23.474  185.382   11.005 -15.32375 25.92520 
1 1 1   21   37    4 o  169.369   13.127  100.861   15.267   84.169   18.497  136.537   27.042  153.578   17.728  195.297   20.303 -41.71953 26.95350 
1 1 1   21   37    5 o  103.937   18.444   39.303   12.782   60.101   18.467   20.175   17.710  128.201   21.579   77.693   26.958 50.50723 34.53083 
1 1 1   21   37    6 o   74.424   23.871   19.738   13.928   11.057   17.282   35.824   23.527   66.850   26.002   98.062   30.979 -31.21191 40.44490 
1 1 1   21   37    7 o   39.820   18.325  -8.2015   11.630 -27.6921   16.338   11.823   16.560   38.932   18.948   66.550   25.571 -27.61773 31.82614 
1 1 1   21   37    8 o   39.019   18.411 -13.6596   12.979 -61.5122   23.310   7.8419   15.625   39.970   20.003   60.925   24.401 -20.95591 31.55182 
1 1 1   21   37    9 o  219.387   8.0637  167.907   12.244  150.766   17.448  184.538   17.186  206.458   12.266  229.256   10.831 -22.79802 16.36347 
1 1 1   21   37   10 o  120.554   12.780   52.030   10.501   56.351   15.854   48.654   14.016  123.077   19.241  114.579   18.289 8.498619 26.54642 
1 1 1   21   37   11 o  137.577   12.401   67.753   11.681   86.634   22.023   60.362   13.779  150.995   21.696  128.455   15.834 22.54059 26.85992 
1 1 1   21   37   12 o   63.818   20.903   15.185   10.648   17.693   18.488   13.941   13.025   71.719   27.146   63.472   23.009 8.247208 35.58528 
1 1 1   21   37   13 o   74.531   18.488   21.607   9.4907   12.520   13.793   29.778   13.079   61.624   23.418   86.185   21.886 -24.56137 32.05296 
1 1 1   21   37   14 o   72.217   18.402   20.581   9.2244   15.494   13.476   25.066   12.654   64.287   23.389   78.113   22.302 -13.82671 32.31701 
1 1 1   21   37   15 o   66.200   19.661   17.824   9.6634   32.088   15.735   9.1871   12.244   85.213   25.031   54.547   21.681 30.66651 33.11526 
1 1 1   21   39    0 o  259.715   7.5560  234.168   13.582  180.878   27.467  251.415   15.626  225.992   17.702  269.010   8.3928 -43.01711 19.59113 
1 1 1   21   39    1 o  134.337   12.811   63.592   11.767   49.317   23.500   68.369   13.594  114.439   29.486  139.033   14.332 -24.59355 32.78515 
1 1 1   21   39    2 o   57.552   24.751  -0.3610   17.790   13.907   24.853 -15.3561   25.478   78.253   30.957   59.793   27.370 18.46048 41.32146 
1 1 1   21   39    3 o  414.859   6.9126  597.432   19.848  568.293   35.710  610.459   23.876  403.109   12.799  419.087   8.2315 -15.97827 15.21772 
1 1 1   21   39    4 o   96.106   17.566   33.626   11.253   46.902   24.538   30.091   12.664  110.904   30.847   90.155   20.728 20.74841 37.16418 
1 1 1   21   39    5 o  159.919   10.693   89.699   11.767  122.976   25.655   80.833   13.242  184.433   20.442  151.333   12.762 33.10013 24.09896 
1 1 1   21   39    6 o  215.740   9.1405  162.289   13.648  153.445   19.354  171.040   19.250  208.445   13.487  220.368   12.675 -11.92281 18.50833 
1 1 1   21   39    7 o  198.495   13.519  139.541   18.461  123.073   27.654  152.781   24.796  182.772   22.325  206.170   17.544 -23.39833 28.39377 
1 1 1   21   39    8 o  237.636   8.1460  196.981   13.398  193.792   18.871  200.222   19.025  234.747   11.615  238.642   11.519 -3.894440 16.35802 
1 1 1   21   39    9 o  145.040   11.568   74.603   11.516   74.669   16.341   74.538   16.232  143.232   16.803  143.146   16.697 0.8547974E-01 23.68852 
1 1 1   21   39   10 f   48.829   19.529   5.0865   9.9930   0.0528   14.988   9.1145   13.408   51.864   22.510   58.546   22.866 -6.682030 32.08698 
1 1 1   21   39   11 o   53.828   20.771   8.0767   10.960  -3.0595   20.184   12.734   13.053   56.634   25.281   62.153   22.954 -5.519146 34.14749 
1 1 1   21   39   12 o  108.501   13.543   43.012   9.9489   50.437   14.702   36.739   13.513  114.822   19.176   96.857   20.780 17.96442 28.27637 
1 1 1   21   39   13 o   38.886   17.179  -1.3896   9.0794 -10.6211   13.518   6.1983   12.255   40.613   19.046   52.331   21.372 -11.71765 28.62746 
1 1 1   21   39   14 o   38.751   16.980  -0.4443   8.7039   3.8587   12.665  -4.2952   11.981   49.811   21.136   41.652   18.952 8.158813 28.38838 
1 1 1   21   39   15 o   46.409   18.953   5.2869   9.6367   0.3719   12.671   12.029   14.841   45.813   20.264   59.248   23.763 -13.43461 31.22959 
1 1 1   21   41    0 o   85.089   19.289   26.673   11.097   41.961   22.589   21.810   12.741  105.364   29.699   77.207   22.479 28.15726 37.24663 
1 1 1   21   41    1 o  245.705   7.7617  209.801   13.199  214.195   26.409  208.337   15.239  246.235   15.577  244.669   8.9992 1.565536 17.98932 
1 1 1   21   41    2 o  181.094   11.230  114.965   14.006  120.537   26.749  112.859   16.441  182.402   21.608  178.944   13.371 3.457916 25.41082 
1 1 1   21   41    3 f  126.187   13.461   56.487   11.575   52.439   25.900   57.497   12.939  116.626   31.393  126.950   15.017 -10.32362 34.79999 
1 1 1   21   41    4 o  414.895   6.1555  597.609   17.676  560.488   36.709  608.813   20.168  399.474   13.277  418.580   6.9615 -19.10565 14.99156 
1 1 1   21   41    5 o  246.485   7.4547  211.339   12.717  191.902   26.907  216.930   14.431  231.851   16.884  249.559   8.3551 -17.70798 18.83794 
1 1 1   21   41    6 o   48.842   19.884   3.8579   10.565   22.898   24.793  -0.3666   11.679   84.339   31.539   46.381   20.000 37.95774 37.34592 
1 1 1   21   41    7 o  151.854   16.806   83.371   17.367   75.951   24.222   91.220   24.913  140.939   25.782  155.741   23.874 -14.80188 35.13741 
1 1 1   21   41    8 o   96.924   18.369   34.977   11.871   43.845   16.679   25.873   16.900  106.928   23.204   82.556   26.274 24.37179 35.05414 
1 1 1   21   41    9 o   83.866   19.154   26.660   10.874   24.134   15.408   29.166   15.348   79.389   25.069   86.438   24.521 -7.048820 35.06763 
1 1 1   21   41   10 o  128.228   12.489   59.021   10.943   76.360   16.022   43.862   14.981  144.290   16.331  106.860   21.005 37.42997 26.60690 
1 1 1   21   41   11 o  120.204   17.337   54.070   14.006   59.463   20.578   49.415   19.118  121.397   25.312  110.253   25.553 11.14455 35.96725 
1 1 1   21   41   12 o  186.327   8.4348  122.296   10.877  127.911   16.272  117.760   14.626  188.181   12.566  181.015   11.737 7.165695 17.19482 
1 1 1   21   41   13 o   33.439   15.628  -7.2157   8.9698  -2.3707   13.397 -11.1528   12.076   45.803   20.510   37.405   17.683 8.397881 27.08073 
1 1 1   21   41   14 o   23.572   11.859 -25.3468   8.7668 -33.8912   13.012 -18.2438   11.864   29.366   14.732   32.925   16.051 -3.558674 21.78710 
1 1 1   21   43    0 o  211.506   8.4816  155.725   12.416  134.488   24.717  162.892   14.359  193.556   18.683  216.140   9.5986 -22.58415 21.00441 
1 1 1   21   43    1 o  169.374   10.562  100.579   12.319   86.000   24.494  105.515   14.253  152.434   24.011  173.184   11.965 -20.75014 26.82720 
1 1 1   21   43    2 o  311.503   6.8083  337.143   14.678  285.707   28.260  356.146   17.177  284.441   14.402  319.971   7.7565 -35.53012 16.35767 
1 1 1   21   43    3 o  111.670   20.803   46.146   15.486   37.800   25.708   50.899   19.402  100.061   32.465  116.047   24.902 -15.98602 40.91578 
1 1 1   21   43    4 o   41.858   19.015  -6.4381   12.001   0.0000   0.0000  -6.4381   12.001  ?   ?    41.858   19.015 0.000000 19.01526 
1 1 1   21   43    5 o  104.200   15.289   39.273   10.698   0.2608   23.598   49.365   12.002   65.077   28.245  117.084   15.168 -52.00770 32.05970 
1 1 1   21   43    6 o  274.673   6.9269  262.593   13.168  179.658   27.589  287.062   14.986  222.878   18.040  287.032   7.5434 -64.15375 19.55320 
1 1 1   21   43    7 o   66.471   28.264   4.8239   22.730   4.8239   22.730   0.0000   0.0000   66.471   28.264  ?   ?  0.000000 28.26398 
1 1 1   21   43    8 o   43.300   18.355   1.1314   9.5362 -37.9659   21.227   11.018   10.674   42.801   20.993   58.074   20.860 -15.27301 29.59455 
1 1 1   21   43    9 o  166.458   9.1616   97.584   10.514   74.341   21.796  104.634   12.003  138.554   23.573  172.056   10.124 -33.50192 25.65498 
1 1 1   21   43   10 o   54.055   21.199   7.7481   11.560 -13.0758   14.842   39.863   18.432   42.151   19.828   98.696   26.448 -56.54584 33.05500 
1 1 1   21   43   11 o   66.447   27.293   11.546   20.130   11.546   20.130   0.0000   0.0000   66.447   27.293  ?   ?  0.000000 27.29325 
1 1 1   21   43   12 o  159.945   9.3743   90.974   10.332   97.086   15.385   85.952   13.945  162.770   13.786  153.413   13.264 9.357681 19.13062 
1 1 1   21   43   13 o   57.071   19.924   12.194   9.6813   5.3854   16.499   15.770   11.956   55.855   23.923   63.514   22.144 -7.659298 32.59802 
1 1 1   21   43   14 o   38.997   17.015   0.3038   8.6586  -5.8387   12.515   5.9440   11.992   40.857   18.876   50.191   20.882 -9.333977 28.14882 
1 1 1   21   45    0 o  164.522   11.358   95.272   12.854   84.585   23.785   99.681   15.278  150.839   23.553  167.800   13.263 -16.96017 27.03022 
1 1 1   21   45    1 o   52.117   21.242   4.3865   12.077  -9.8000   21.802   10.667   14.505   56.638   25.691   62.735   23.973 -6.097260 35.13867 
1 1 1   21   45    2 o   91.762   18.166   31.078   11.129   28.039   23.377   31.969   12.655   88.649   30.960   92.526   20.318 -3.876534 37.03170 
1 1 1   21   45    3 o  115.038   20.355   49.055   15.614   27.800   26.212   60.744   19.439   89.632   32.618  127.316   22.902 -37.68434 39.85530 
1 1 1   21   45    4 o  147.144   11.494   76.502   11.613   47.620   25.855   83.801   12.998  109.386   32.072  153.814   12.312 -44.42863 34.35464 
1 1 1   21   45    5 o  328.483   13.728  382.195   31.211   0.0000   0.0000  382.195   31.211  ?   ?   328.483   13.728 0.000000 13.72830 
1 1 1   21   45    6 o  151.137   10.461   80.603   10.875   98.732   24.115   75.975   12.184  162.402   22.023  146.219   12.150 16.18282 25.15189 
1 1 1   21   45    7 o   49.701   19.391   6.1045   9.6339   15.015   20.750   3.6561   10.877   72.292   28.386   48.675   20.036 23.61674 34.74479 
1 1 1   21   45    8 o  154.109   9.9282   83.919   10.533   78.732   22.444   85.385   11.928  142.782   23.532  155.026   11.193 -12.24423 26.05775 
1 1 1   21   45    9 o  115.018   14.176   48.218   11.046   24.463   21.947   56.277   12.783   80.762   29.777  123.920   15.225 -43.15787 33.44322 
1 1 1   21   45   10 o   88.158   15.179   28.971   8.9276  -7.2878   19.407   38.704   10.055   52.403   23.950  102.434   14.595 -50.03104 28.04684 
1 1 1   21   45   11 o   62.066   21.730   14.246   11.519  -4.0195   21.055   22.048   13.761   55.831   25.293   74.023   23.725 -18.19252 34.67934 
1 1 1   21   45   12 o  178.154   12.060  115.185   14.783   0.0000   0.0000  115.185   14.783  ?   ?   178.154   12.060 0.000000 12.06010 
1 1 1   21   45   13 o   33.627   15.575  -5.4869   8.5995  -6.8500   12.045  -4.0699   12.281   39.609   18.376   42.005   19.141 -2.396446 26.53441 
1 1 1   21   47    0 o  160.782   11.948   91.376   13.201   66.341   23.109  103.502   16.083  131.495   26.311  170.616   13.736 -39.12094 29.68076 
1 1 1   21   47    1 o  222.259   8.1928  172.264   12.603  168.098   25.877  173.559   14.430  216.026   17.456  222.834   9.3564 -6.808167 19.80561 
1 1 1   21   47    2 o  211.988   8.6190  156.882   12.646  120.976   25.458  168.643   14.571  181.468   20.637  219.564   9.5882 -38.09631 22.75537 
1 1 1   21   47    3 o   38.670   17.740  -6.9579   10.786 -38.8829   23.363   1.6889   12.159   46.006   22.449   49.103   20.765 -3.097427 30.58060 
1 1 1   21   47    4 o  124.421   22.071   58.386   18.310   0.0000   0.0000   58.386   18.310  ?   ?   124.421   22.071 0.000000 22.07125 
1 1 1   21   47    5 o  119.417   15.092   51.675   12.195   0.0000   0.0000   51.675   12.195  ?   ?   119.417   15.092 0.000000 15.09154 
1 1 1   21   47    6 o  103.670   15.083   39.226   10.505   30.824   24.021   41.213   11.682   89.449   31.376  105.804   16.490 -16.35435 35.44516 
1 1 1   21   47    7 o  101.966   14.701   38.002   10.075   32.546   21.437   39.548   11.414   90.122   29.666  103.377   16.508 -13.25475 33.95000 
1 1 1   21   47    8 o   58.310   20.682   11.648   10.461   33.054   22.009   5.3997   11.890   89.904   30.078   51.827   21.096 38.07662 36.73833 
1 1 1   21   47    9 o   47.641   18.878   5.4665   9.2569   17.083   21.771   2.9029   10.227   72.938   28.936   46.065   19.235 26.87274 34.74628 
1 1 1   21   47   10 o   53.648   19.063   9.9648   8.8923   25.312   21.570   6.8223   9.7603   79.584   29.485   49.941   19.508 29.64296 35.35450 
1 1 1   21   47   11 o   34.792   15.944  -4.7296   8.6788 -39.0244   21.217   2.1617   9.5109   41.097   20.315   43.396   18.359 -2.298813 27.38214 
1 1 1   21   47   12 o   81.295   14.921   25.224   8.0858   60.634   20.775   18.902   8.7779  117.760   26.169   68.832   18.162 48.92857 31.85366 
1 1 1   21   49    0 o  227.296   8.1419  180.335   12.808  176.195   25.708  181.701   14.772  220.959   16.940  227.838   9.3679 -6.879669 19.35743 
1 1 1   21   49    1 o  252.159   8.2017  222.000   14.314  190.634   26.237  235.291   17.079  230.014   16.593  259.200   9.5206 -29.18552 19.12999 
1 1 1   21   49    2 o   50.209   20.267   4.8185   10.872 -29.1463   21.569   16.388   12.588   46.599   22.457   67.754   22.747 -21.15510 31.96489 
1 1 1   21   49    3 o  217.516   9.8960  166.022   14.898   0.0000   0.0000  166.022   14.898  ?   ?   217.516   9.8960 0.000000 9.896043 
1 1 1   21   49    4 o   39.646   18.866 -16.2479   14.188 -34.3463   22.868  -4.9222   18.090   46.444   22.561   53.163   23.818 -6.718288 32.80719 
1 1 1   21   49    5 o  103.533   17.245   39.775   11.923   45.493   26.329   38.300   13.372  104.469   32.739  100.494   19.930 3.974380 38.32837 
1 1 1   21   49    6 o  144.541   11.144   74.309   11.062   31.639   24.228   85.548   12.434   89.401   31.499  154.944   11.681 -65.54224 33.59496 
1 1 1   21   49    7 o   27.349   13.556 -21.7691   9.6799 -48.8781   22.101 -15.3341   10.768   40.503   20.144   32.846   15.839 7.656731 25.62486 
1 1 1   21   49    8 o  177.304   9.8229  111.419   12.007  108.732   24.450  112.273   13.783  167.944   21.531  177.318   11.290 -9.373779 24.31128 
1 1 1   21   49    9 o   80.767   17.716   25.128   9.6306   40.224   22.114   21.594   10.698   95.880   29.997   73.998   20.285 21.88201 36.21201 
1 1 1   21   49   10 o   53.268   19.126   9.8557   8.9730 -13.8488   23.064   14.084   9.7405   52.843   24.813   60.729   19.997 -7.886147 31.86796 
1 1 1   21   49   11 o   31.524   14.873  -8.0362   8.4656 -31.7951   20.290  -3.0284   9.3151   41.691   20.464   37.509   16.924 4.181988 26.55525 
1 1 1   21   49   12 o   95.548   12.868   34.116   8.2931   11.898   21.962   37.811   8.9561   64.206   27.553  100.471   13.199 -36.26507 30.55120 
1 1 1   21   51    0 o   48.286   20.006   3.1901   10.942  -6.4537   21.771   6.4494   12.657   57.499   25.914   54.681   21.940 2.817863 33.95411 
1 1 1   21   51    1 o  113.484   14.608   46.693   11.207   29.868   23.077   51.886   12.821   88.366   30.767  119.230   15.935 -30.86408 34.64852 
1 1 1   21   51    2 f   73.382   22.485   20.394   12.499   0.0000   0.0000   20.394   12.499  ?   ?    73.382   22.485 0.000000 22.48524 
1 1 1   21   51    3 o   43.575   20.590 -16.0347   16.336  -0.5834   21.013 -39.6390   25.972   59.919   26.315   48.825   23.791 11.09351 35.47538 
1 1 1   21   51    4 o   77.826   20.350   23.273   11.085   26.707   24.508   22.390   12.429   84.903   31.435   76.197   22.207 8.706512 38.48759 
1 1 1   21   51    5 o   56.682   23.135   6.6319   14.350 -12.7415   24.012   17.394   17.897   56.345   26.071   71.554   26.789 -15.20889 37.38120 
1 1 1   21   51    6 o  107.454   14.979   42.454   10.837   15.844   24.200   49.129   12.120   74.197   30.137  115.465   15.562 -41.26858 33.91753 
1 1 1   21   51    7 o   66.429   21.836   16.735   11.616   30.488   23.707   12.389   13.325   86.308   31.078   61.479   23.096 24.82973 38.72017 
1 1 1   21   51    8 o   45.813   18.675   4.1453   9.3351  -9.0537   21.544   7.1962   10.358   53.908   24.856   51.292   20.080 2.615223 31.95385 
1 1 1   21   51    9 o  125.594   11.432   56.981   9.8284   71.707   22.415   53.476   10.936  131.166   25.611  120.751   13.306 10.41549 28.86093 
1 1 1   21   51   10 o   74.456   19.252   22.205   9.9946   0.0000   0.0000   22.205   9.9946  ?   ?    74.456   19.252 0.000000 19.25228 
1 1 1   21   51   11 o   28.945   13.980 -11.7311   8.4705   3.7015   22.123 -14.3820   9.1691   59.310   26.472   29.093   14.167 30.21615 30.02508 
1 1 1   21   53    0 o   66.378   21.360   16.352   11.146   0.0032   22.635   21.585   12.806   62.093   27.290   74.971   22.716 -12.87839 35.50715 
1 1 1   21   53    1 o  205.044   9.9230  148.008   14.082   0.0000   0.0000  148.008   14.082  ?   ?   205.044   9.9230 0.000000 9.922989 
1 1 1   21   53    2 o   51.856   21.102   5.2654   11.894  -9.2537   21.737   11.469   14.209   55.281   25.296   61.917   23.711 -6.636314 34.67161 
1 1 1   21   53    3 o  149.742   11.399   79.913   11.725   80.244   22.630   79.791   13.708  143.649   23.580  148.790   13.457 -5.140533 27.14945 
1 1 1   21   53    4 o   80.953   19.662   25.298   10.907   25.405   23.383   25.269   12.330   82.242   30.654   80.347   21.674 1.895180 37.54225 
1 1 1   21   53    5 f  126.217   17.187   59.434   14.624   63.659   24.328   57.044   18.299  123.108   29.025  120.484   22.778 2.624428 36.89603 
1 1 1   21   53    6 o   79.170   20.972   24.726   11.674 -16.4098   22.760   39.413   13.600   52.197   24.554  100.675   20.220 -48.47802 31.80804 
1 1 1   21   53    7 o   89.161   19.650   31.130   11.799   0.0000   0.0000   31.130   11.799  ?   ?    89.161   19.650 0.000000 19.65011 
1 1 1   21   53    8 o  114.690   13.465   48.363   10.485   65.659   23.416   44.026   11.726  123.160   28.092  107.988   16.188 15.17195 32.42225 
1 1 1   21   53    9 o  189.863   11.297  130.168   14.777   0.0000   0.0000  130.168   14.777  ?   ?   189.863   11.297 0.000000 11.29650 
1 1 1   21   53   10 o  138.463   11.031   69.673   10.484   31.698   26.051   77.012   11.452   81.763   31.890  145.329   11.479 -63.56584 33.89301 
1 1 1   21   55    0 o   50.570   21.320   2.9981   12.754   0.0000   0.0000   2.9981   12.754  ?   ?    50.570   21.320 0.000000 21.32008 
1 1 1   21   55    1 o  119.734   14.213   52.251   11.548   57.805   23.382   50.459   13.281  117.698   28.913  116.421   16.982 1.276382 33.53105 
1 1 1   21   55    2 o  122.273   15.415   54.987   12.755   47.620   23.855   57.936   15.094  105.428   30.777  124.237   18.085 -18.80889 35.69676 
1 1 1   21   55    3 o  159.640   11.382   91.062   12.493   65.366   22.070  103.179   15.155  126.932   25.996  169.161   13.045 -42.22923 29.08563 
1 1 1   21   55    4 o  127.977   13.038   59.386   11.387   75.951   23.644   54.384   12.993  136.691   25.942  121.103   15.885 15.58873 30.41854 
1 1 1   21   55    5 o   44.466   19.555  -1.0007   11.638 -17.6049   22.812   4.8425   13.532   51.551   24.350   53.014   22.130 -1.463226 32.90419 
1 1 1   21   55    6 o   37.180   17.274  -7.5897   10.702   9.7610   24.122 -11.8421   11.942   67.823   28.984   36.962   17.507 30.86079 33.86086 
1 1 1   21   55    7 o   45.932   19.235   3.2079   10.269 -16.2439   23.007   8.0475   11.476   51.663   24.419   53.361   21.059 -1.697834 32.24548 
1 1 1   21   55    8 o   95.101   18.275   35.455   11.592   0.0000   0.0000   35.455   11.592  ?   ?    95.101   18.275 0.000000 18.27545 
1 1 1   21   55    9 o   69.709   21.833   20.224   11.711   5.1366   24.565   24.662   13.322   62.413   27.874   75.970   23.203 -13.55713 36.26756 
1 1 1   21   57    0 o   56.765   23.181   7.2370   14.415  -7.0000   23.080   16.342   18.457   57.299   26.161   69.826   26.951 -12.52701 37.55997 
1 1 1   21   57    1 o  105.759   18.394   42.628   12.975   5.4732   23.528   58.865   15.554   65.230   28.257  124.522   18.619 -59.29255 33.83943 
1 1 1   21   57    2 o   42.029   18.782  -2.8404   11.172 -18.7463   23.438   1.8361   12.709   51.957   24.585   48.956   20.983 3.000813 32.32142 
1 1 1   21   57    3 o   82.369   20.620   26.833   11.728   20.576   21.233   29.580   14.069   75.119   28.931   85.438   23.196 -10.31913 37.08160 
1 1 1   21   57    4 o   68.585   22.161   18.418   11.988   65.366   21.644  -2.3542   14.397  125.665   25.751   47.856   21.358 77.80884 33.45599 
1 1 1   21   57    5 o   52.155   20.524   7.5685   10.870 -11.2781   24.184   12.340   12.168   55.497   25.845   59.684   22.139 -4.186520 34.03096 
1 1 1   21   57    6 o   56.306   22.968   8.1408   14.133   17.141   23.926   3.3167   17.516   71.946   29.677   55.887   24.295 16.05864 38.35355 
1 1 1   21   57    7 o   34.830   16.659 -12.8373   11.360   0.0000   0.0000 -12.8373   11.360  ?   ?    34.830   16.659 0.000000 16.65901 
1 1 1   21   57    8 o   82.403   19.005   27.469   10.618   49.024   27.914   23.823   11.481   96.341   33.821   75.531   21.132 20.80947 39.88037 
1 1 1   21   59    0 o   51.912   20.749   6.8282   11.272   20.224   22.444   2.3092   13.035   74.942   29.491   49.641   21.263 25.30091 36.35691 
1 1 1   21   59    1 o   87.316   18.787   29.704   11.017   22.771   22.913   31.790   12.565   77.330   29.978   89.438   20.707 -12.10814 36.43402 
1 1 1   21   59    2 o  111.789   14.169   46.170   10.717   20.429   21.931   54.244   12.283   74.562   29.211  120.842   15.009 -46.27976 32.84127 
1 1 1   21   59    3 o   97.280   19.269   37.071   12.515   1.9688   22.059   53.731   15.197   60.263   26.692  117.526   19.357 -57.26355 32.97213 
1 1 1   21   59    4 o   55.231   21.452   9.4079   11.750 -31.1268   21.247   27.266   14.103   43.554   21.287   80.895   23.678 -37.34140 31.83989 
1 1 1   21   59    5 o   55.874   20.958   10.670   10.965   27.615   24.356   6.3631   12.279   80.064   30.944   52.005   21.334 28.05925 37.58522 
1 1 1   21   59    6 o   53.877   20.540   9.6770   10.632 -29.9268   24.040   19.308   11.855   46.875   22.851   68.534   22.027 -21.65915 31.73887 
1 1 1   21   61    0 o   43.016   18.834  -0.1914   10.693   10.615   20.319  -4.3301   12.575   64.294   26.997   42.892   19.477 21.40207 33.28981 
1 1 1   21   61    1 o   81.590   22.198   27.423   12.869   14.898   20.356   35.760   16.608   67.779   27.597   91.318   25.370 -23.53935 37.48637 
1 1 1   21   61    2 o   63.750   22.010   15.800   11.799   35.600   21.773   7.5686   14.039   88.271   29.914   55.389   22.777 32.88169 37.59841 
1 1 1   21   61    3 o   61.542   20.828   14.744   10.555   51.756   20.744   1.8159   12.260  107.616   27.690   47.277   20.439 60.33857 34.41648 
1 1 1   21   61    4 o  102.622   17.818   41.229   12.196   62.634   21.899   31.603   14.685  118.577   27.254   85.788   23.863 32.78895 36.22497 
1 1 1   22    0    0 o  106.956   20.807   43.834   13.730   43.834   13.730   43.834   13.730  106.956   20.807  106.956   20.807 0.000000 0.000000 
1 1 1   22    0    1 o  762.286   8.9985  2012.16   47.460  2012.16   47.460  2012.16   47.460  762.286   8.9985  762.286   8.9985 0.000000 0.000000 
1 1 1   22    0    2 o  578.168   8.0249  1157.67   32.098  1157.67   32.098  1157.67   32.098  578.168   8.0249  578.168   8.0249 0.000000 0.000000 
1 1 1   22    0    3 o   93.685   23.299   35.493   13.073   35.493   13.073   35.493   13.073   93.685   23.299   93.685   23.299 0.000000 0.000000 
1 1 1   22    0    5 o  353.361   11.303  433.610   27.579  433.610   27.579  433.610   27.579  353.361   11.303  353.361   11.303 0.000000 0.000000 
1 1 1   22    0    6 o  414.831   7.9781  596.321   22.887  596.321   22.887  596.321   22.887  414.831   7.9781  414.831   7.9781 0.000000 0.000000 
1 1 1   22    0    7 o   64.239   29.262   20.815   14.114   20.815   14.114   20.815   14.114   64.239   29.262   64.239   29.262 0.000000 0.000000 
1 1 1   22    0    8 f  161.080   15.138   92.270   16.535   92.270   16.535   92.270   16.535  161.080   15.138  161.080   15.138 0.000000 0.000000 
1 1 1   22    0    9 o   50.799   32.354   2.4000   25.059   2.4000   25.059   2.4000   25.059   50.799   32.354   50.799   32.354 0.000000 0.000000 
1 1 1   22    0   10 o  178.260   22.082  115.463   26.120  115.463   26.120  115.463   26.120  178.260   22.082  178.260   22.082 0.000000 0.000000 
1 1 1   22    0   11 o  370.125   9.1234  475.575   23.339  475.575   23.339  475.575   23.339  370.125   9.1234  370.125   9.1234 0.000000 0.000000 
1 1 1   22    0   12 f  166.206   15.773   98.728   17.769   98.728   17.769   98.728   17.769  166.206   15.773  166.206   15.773 0.000000 0.000000 
1 1 1   22    0   13 o  339.791   9.2339  401.701   21.679  401.701   21.679  401.701   21.679  339.791   9.2339  339.791   9.2339 0.000000 0.000000 
1 1 1   22    0   14 f  238.595   15.443  201.951   25.256  201.951   25.256  201.951   25.256  238.595   15.443  238.595   15.443 0.000000 0.000000 
1 1 1   22    0   15 o   55.050   29.797   16.196   15.885   16.196   15.885   16.196   15.885   55.050   29.797   55.050   29.797 0.000000 0.000000 
1 1 1   22    0   16 o  185.365   13.671  123.228   17.320  123.228   17.320  123.228   17.320  185.365   13.671  185.365   13.671 0.000000 0.000000 
1 1 1   22    0   17 o   88.627   37.894   45.093   23.724   45.093   23.724   45.093   23.724   88.627   37.894   88.627   37.894 0.000000 0.000000 
1 1 1   22    0   18 o   61.405   30.109   22.997   15.196   22.997   15.196   22.997   15.196   61.405   30.109   61.405   30.109 0.000000 0.000000 
1 1 1   22    0   19 o   43.682   28.456   8.6878   20.853   8.6878   20.853   8.6878   20.853   43.682   28.456   43.682   28.456 0.000000 0.000000 
1 1 1   22    2    0 o  113.095   12.803   44.938   9.8447   38.339   13.980   51.429   13.865  103.163   20.303  120.451   17.113 -17.28815 26.55339 
1 1 1   22    2    1 o  223.245   7.0104  172.599   10.832  175.568   15.553  169.802   15.094  225.069   9.9846  221.347   9.8528 3.722412 14.02742 
1 1 1   22    2    2 o  817.153   6.6103  2312.31   37.385  2343.75   53.488  2282.28   52.274  822.407   9.3971  811.561   9.3065 10.84668 13.22558 
1 1 1   22    2    3 o  156.055   9.2361   84.682   9.9313   73.708   14.192   95.213   13.902  145.011   14.328  165.229   12.244 -20.21764 18.84710 
1 1 1   22    2    4 o  130.255   11.053   59.251   9.8705   51.303   14.161   66.760   13.765  120.218   17.536  137.887   14.648 -17.66877 22.84910 
1 1 1   22    2    5 o  667.465   6.0012  1542.68   27.723  1514.75   38.557  1572.59   39.890  661.192   8.4256  673.685   8.5553 -12.49249 12.00764 
1 1 1   22    2    6 o   79.440   18.263   22.858   9.8315   10.853   14.231   33.819   13.598   64.007   23.903   96.600   20.942 -32.59372 31.77951 
1 1 1   22    2    7 o  166.714   9.4657   96.694   10.877  106.537   15.354   86.779   15.410  174.660   12.791  157.336   14.308 17.32379 19.19171 
1 1 1   22    2    8 o  250.369   8.5675  217.373   14.846  213.424   17.560  227.268   27.799  247.976   10.231  254.889   15.836 -6.913254 18.85381 
1 1 1   22    2    9 o   53.793   22.169   3.2098   13.337   6.9537   16.020  -5.2439   24.073   61.887   24.735   64.132   28.166 -2.245556 37.48514 
1 1 1   22    2   10 o  369.379   7.4046  473.281   18.930  439.951   32.279  490.752   23.371  355.236   13.129  375.925   8.9824 -20.68948 15.90769 
1 1 1   22    2   11 o  360.580   7.6159  451.501   19.006  509.756   35.033  427.203   22.626  381.793   13.258  350.439   9.3285 31.35458 16.21086 
1 1 1   22    2   12 o  319.138   6.8037  353.846   15.028  364.734   21.058  342.546   21.453  323.431   9.4073  313.315   9.8930 10.11639 13.65166 
1 1 1   22    2   13 o  239.373   9.1887  200.219   15.223  220.146   26.289  190.167   18.672  248.425   15.365  232.622   11.598 15.80298 19.25097 
1 1 1   22    2   14 o   82.697   20.224   26.052   11.479   1.5291   16.423   49.478   16.052   55.458   23.813  114.320   21.064 -58.86256 31.79224 
1 1 1   22    2   15 o   50.965   21.290   3.6705   12.537   4.8811   15.205   1.0995   22.159   55.994   23.423   61.767   27.077 -5.772770 35.80285 
1 1 1   22    2   16 o  159.938   10.795   91.449   11.879   90.811   16.854   92.078   16.746  156.605   15.764  157.853   15.529 -1.247787 22.12773 
1 1 1   22    2   17 o  155.886   11.516   88.007   12.337  110.682   17.334   64.731   17.563  172.624   14.647  127.545   20.597 45.07897 25.27387 
1 1 1   22    2   18 o  135.236   13.969   68.731   12.886   67.368   15.925   71.317   21.932  130.526   18.117  126.610   25.902 3.916275 31.60902 
1 1 1   22    2   19 o   59.959   21.066   15.319   10.831   4.5533   14.693   28.131   16.029   50.473   22.090   75.855   25.667 -25.38190 33.86338 
1 1 1   22    4    0 o  160.196   9.3494   89.229   10.321   92.532   14.801   86.102   14.400  162.767   13.254  156.956   13.383 5.810852 18.83549 
1 1 1   22    4    1 o  228.461   7.1132  180.763   11.247  185.572   16.032  176.102   15.784  231.392   10.011  225.407   10.117 5.985565 14.23275 
1 1 1   22    4    2 o  826.865   6.6666  2367.63   38.152  2398.11   54.675  2338.69   53.264  831.880   9.4962  821.524   9.3677 10.35583 13.33909 
1 1 1   22    4    3 o  507.478   6.3972  891.782   22.469  892.195   39.511  891.585   27.316  507.256   11.254  507.344   7.7791 -0.8816528E-01 13.68112 
1 1 1   22    4    4 o  468.395   5.4968  759.601   17.820  771.535   25.444  748.112   24.965  471.944   7.7896  464.727   7.7616 7.217499 10.99637 
1 1 1   22    4    5 o  595.300   5.7577  1227.08   23.722  1234.16   33.728  1220.15   33.372  596.838   8.1651  593.444   8.1249 3.394104 11.51883 
1 1 1   22    4    6 o  429.984   6.4106  640.345   19.078  629.756   32.397  645.967   23.605  426.071   10.986  431.775   7.8989 -5.703552 13.53095 
1 1 1   22    4    7 o  400.587   6.7925  555.929   18.832  564.145   22.852  538.537   33.248  403.436   8.1840  393.789   12.199 9.647186 14.68994 
1 1 1   22    4    8 o  550.225   6.8247  1049.07   25.990  1043.80   31.416  1060.49   46.262  548.671   8.2729  552.428   12.100 -3.756897 14.65755 
1 1 1   22    4    9 o  242.680   7.7987  204.231   13.099  212.243   18.429  196.051   18.621  247.159   10.774  237.495   11.329 9.664673 15.63355 
1 1 1   22    4   10 o  498.061   6.0119  859.806   20.724  850.255   29.162  869.552   29.457  494.892   8.5139  500.479   8.5040 -5.586456 12.03346 
1 1 1   22    4   11 o  254.939   9.1527  226.066   16.150  210.683   28.784  233.133   19.510  243.988   17.154  258.618   10.900 -14.63005 20.32440 
1 1 1   22    4   12 o  191.011   11.303  128.089   14.877  104.537   29.008  136.494   17.329  167.407   25.870  196.813   12.791 -29.40646 28.85954 
1 1 1   22    4   13 o   61.924   21.743   12.738   11.537 -10.4242   16.769   33.556   15.898   48.001   22.058   93.571   24.323 -45.56980 32.83549 
1 1 1   22    4   14 o   80.166   20.509   24.528   11.425   31.448   16.324   17.884   15.996   89.605   25.243   71.642   25.556 17.96267 35.92156 
1 1 1   22    4   15 o   76.320   20.739   22.596   11.240   26.413   16.035   18.908   15.761   81.615   25.545   71.794   25.394 9.821198 36.01967 
1 1 1   22    4   16 o  160.542   12.923   93.424   14.238   94.208   17.263   91.756   25.178  159.434   15.855  150.338   25.082 9.096039 29.67253 
1 1 1   22    4   17 o   75.961   20.753   23.477   11.220   27.105   15.805   19.791   15.931   79.602   25.417   70.268   25.451 9.333580 35.96902 
1 1 1   22    4   18 o   87.459   20.500   31.838   12.193   48.706   15.522   4.6585   19.702  107.921   21.535   57.264   25.302 50.65643 33.22557 
1 1 1   22    4   19 o   58.327   20.904   14.268   10.714   4.8713   14.456   25.718   15.958   50.436   21.996   72.742   25.570 -22.30549 33.72957 
1 1 1   22    6    0 o  666.930   6.0157  1540.09   27.768  1507.34   38.660  1575.00   39.909  659.621   8.4683  674.255   8.5520 -14.63483 12.03527 
1 1 1   22    6    1 o  387.652   5.6071  520.284   15.044  521.798   21.439  518.815   21.114  388.120   7.9813  387.014   7.8826 1.106293 11.21768 
1 1 1   22    6    2 o  250.146   6.5650  216.682   11.366  225.037   16.335  208.841   15.825  254.840   9.2614  245.496   9.3135 9.343567 13.13449 
1 1 1   22    6    4 o  131.381   10.869   60.257   9.7942   53.751   13.985   66.519   13.721  123.216   16.840  137.633   14.628 -14.41717 22.30647 
1 1 1   22    6    5 o  532.312   5.6338  981.131   20.756  996.736   29.742  966.317   28.980  536.371   8.0117  528.130   7.9282 8.241821 11.27139 
1 1 1   22    6    6 o  337.180   12.133  394.634   28.314   0.0000   0.0000  394.634   28.314  ?   ?   337.180   12.133 0.000000 12.13270 
1 1 1   22    6    7 o  473.227   5.8040  775.608   19.010  746.903   26.118  807.945   27.721  464.203   8.1294  482.784   8.2962 -18.58044 11.61524 
1 1 1   22    6    8 o  414.724   5.9819  595.821   17.170  588.434   24.324  603.157   24.241  411.923   8.5320  417.059   8.3979 -5.135284 11.97157 
1 1 1   22    6    9 o  142.511   12.182   71.156   11.900   60.670   16.641   82.132   17.024  130.268   19.017  152.486   16.388 -22.21863 25.10421 
1 1 1   22    6   10 o  392.738   6.2315  534.703   16.938  536.848   23.892  532.534   24.017  393.187   8.7796  391.591   8.8616 1.595734 12.47439 
1 1 1   22    6   11 o  156.500   11.423   85.897   12.288   55.283   17.411  116.273   17.344  123.059   21.209  181.688   13.898 -58.62966 25.35661 
1 1 1   22    6   12 o  343.838   9.1955  412.200   21.883   0.0000   0.0000  412.200   21.883  ?   ?   343.838   9.1955 0.000000 9.195510 
1 1 1   22    6   13 o   47.476   20.866  -2.2462   13.233   6.8488   24.489  -5.9969   15.726   70.379   29.600   49.056   22.075 21.32355 36.92498 
1 1 1   22    6   14 o  157.184   11.118   87.544   12.017   68.557   17.009  106.470   16.981  136.134   18.534  172.125   14.386 -35.99075 23.46178 
1 1 1   22    6   15 o  100.148   16.656   37.420   11.139   24.230   15.811   50.420   15.697   78.599   25.456  114.667   20.532 -36.06783 32.70485 
1 1 1   22    6   16 o  132.576   12.963   63.924   11.742   62.268   16.539   65.609   16.674  127.191   19.402  130.898   18.957 -3.706871 27.12568 
1 1 1   22    6   17 o   40.573   19.404 -16.0499   15.406 -16.0499   15.406   0.0000   0.0000   40.573   19.404  ?   ?  0.000000 19.40443 
1 1 1   22    6   18 o   85.200   18.920   29.569   10.866   43.144   15.988   17.915   14.814   99.529   23.573   65.906   24.432 33.62279 33.94970 
1 1 1   22    6   19 o   86.582   19.075   31.753   11.122   29.041   15.677   34.501   15.781   77.012   25.370   84.323   25.143 -7.310814 35.71861 
1 1 1   22    8    0 o  226.066   7.3233  176.999   11.458  189.238   16.250  164.897   16.159  233.667   10.048  218.100   10.705 15.56754 14.68200 
1 1 1   22    8    1 o  915.241   7.1304  2901.05   45.168  2909.53   64.205  2892.74   63.553  916.217   10.125  913.580   10.051 2.637146 14.26674 
1 1 1   22    8    2 o  957.574   8.4725  3176.68   56.151  3204.39   98.088  3163.18   68.483  960.657   14.753  955.274   10.358 5.383972 18.02577 
1 1 1   22    8    3 o  503.385   5.5485  877.324   19.331  872.982   27.459  881.590   27.219  502.012   7.9030  504.487   7.7956 -2.475677 11.10082 
1 1 1   22    8    4 o  453.604   5.5853  712.407   17.535  700.791   24.274  725.081   25.357  449.779   7.7977  457.495   8.0081 -7.715790 11.17742 
1 1 1   22    8    5 o   62.717   21.272   12.710   11.010   13.103   13.227   11.824   19.866   65.697   23.261   72.174   27.932 -6.476173 36.34893 
1 1 1   22    8    6 o  504.752   5.6854  882.275   19.862  864.092   27.802  901.229   28.385  499.350   8.0444  509.968   8.0420 -10.61795 11.37483 
1 1 1   22    8    7 o   86.001   18.620   26.802   10.762   23.582   15.498   29.800   14.955   81.792   25.035   90.509   23.622 -8.716827 34.41975 
1 1 1   22    8    8 o  125.022   13.537   55.013   11.527   69.594   16.434   40.893   16.172  140.154   17.310  105.928   22.738 34.22609 28.57717 
1 1 1   22    8    9 o  304.270   6.9266  320.936   14.587  325.651   20.517  316.117   20.742  306.244   9.6799  301.701   9.9334 4.542938 13.86987 
1 1 1   22    8   10 o  349.080   6.4836  422.522   15.665  427.247   22.018  417.680   22.291  350.696   9.0713  346.715   9.2891 3.980804 12.98365 
1 1 1   22    8   11 o  151.361   13.383   80.814   13.876   69.951   22.742   87.256   17.513  137.561   24.799  156.608   16.401 -19.04755 29.73158 
1 1 1   22    8   12 o  332.799   6.5886  384.805   15.176  372.636   21.261  397.447   21.669  326.823   9.3991  337.564   9.2748 -10.74054 13.20475 
1 1 1   22    8   13 o  170.573   11.933  102.906   13.999   98.927   24.405  104.857   17.090  163.028   22.207  171.303   14.553 -8.275284 26.55064 
1 1 1   22    8   14 f  147.079   13.826   77.736   13.909   58.878   24.573   86.625   16.872  120.178   29.712  154.382   16.023 -34.20320 33.75697 
1 1 1   22    8   15 o   54.119   20.762   8.4276   10.907   16.020   15.948   1.7559   14.950   68.295   25.343   52.712   22.679 15.58305 34.00908 
1 1 1   22    8   16 o  107.214   17.991   43.949   12.877   48.940   16.037   34.893   21.604  111.055   21.642   89.623   29.795 21.43250 36.82563 
1 1 1   22    8   17 o   63.287   21.188   15.779   10.922  -5.0778   15.699   35.341   15.205   47.149   21.546   91.297   23.814 -44.14745 32.11438 
1 1 1   22    8   18 o   49.843   21.037   5.1506   12.439   7.8658   15.367  -0.0098   21.186   55.548   23.410   55.514   25.236 0.3380203E-01 34.42233 
1 1 1   22   10    0 o  333.449   6.0281  384.987   13.912  371.866   19.681  398.090   19.668  327.620   8.6796  338.988   8.3829 -11.36813 12.06684 
1 1 1   22   10    1 o  111.830   12.824   43.953   9.7464   44.982   14.257   43.049   13.354  112.168   19.046  109.817   18.208 2.351387 26.34906 
1 1 1   22   10    2 o  201.715   8.9162  140.982   12.448  165.654   15.853  101.317   20.101  218.602   10.478  169.836   17.344 48.76624 20.26360 
1 1 1   22   10    3 o  345.420   6.7620  413.203   16.166  396.010   19.640  449.317   28.466  338.090   8.3934  359.952   11.426 -21.86179 14.17771 
1 1 1   22   10    4 o  363.247   6.6942  456.969   16.830  458.254   20.803  454.537   28.631  363.683   8.2648  362.010   11.427 1.672577 14.10266 
1 1 1   22   10    5 o  310.727   6.1602  334.366   13.248  306.821   18.677  362.259   18.794  297.525   9.0701  323.325   8.3987 -25.80026 12.36146 
1 1 1   22   10    6 o  392.002   5.7877  532.165   15.703  531.537   22.517  532.761   21.910  391.615   8.3075  392.082   8.0738 -0.4672546 11.58452 
1 1 1   22   10    7 o  454.426   6.7318  715.461   21.172  702.835   25.806  741.463   37.033  450.262   8.2809  462.076   11.580 -11.81381 14.23592 
1 1 1   22   10    8 o  136.104   12.677   64.972   11.804   65.371   16.753   64.579   16.634  135.550   18.328  134.714   18.316 0.8361053 25.91085 
1 1 1   22   10    9 o   82.875   20.918   25.088   11.999   7.0072   17.169   42.351   16.776   63.515   25.528  107.551   23.218 -44.03574 34.50742 
1 1 1   22   10   10 o  245.332   8.8793  209.089   15.077  217.317   24.938  204.349   18.928  248.896   14.540  242.247   11.289 6.648956 18.40797 
1 1 1   22   10   11 o   45.091   19.617  -1.5611   11.438  -0.1180   16.109  -3.0283   16.243   54.903   23.580   52.802   23.164 2.100842 33.05449 
1 1 1   22   10   12 o  194.442   9.3335  131.928   12.561  123.600   17.950  139.918   17.583  186.753   13.989  199.122   12.827 -12.36900 18.97918 
1 1 1   22   10   13 o   85.144   20.001   27.325   11.586   23.371   16.300   31.364   16.473   79.370   25.856   90.178   25.342 -10.80796 36.20407 
1 1 1   22   10   14 o  190.014   10.990  127.801   14.391  130.000   26.167  126.847   17.231  186.581   20.607  188.330   13.305 -1.749146 24.52960 
1 1 1   22   10   15 o   92.495   24.735   34.534   16.142   54.098   23.368   16.678   22.324  113.117   29.531   73.398   29.244 39.71848 41.56036 
1 1 1   22   10   16 o   63.422   21.157   15.340   10.890   12.348   15.584   18.195   15.224   62.693   24.605   69.199   24.906 -6.506668 35.01007 
1 1 1   22   10   17 f   83.085   19.592   27.805   11.083   16.280   15.559   39.677   15.792   65.685   24.894   96.751   23.757 -31.06614 34.41043 
1 1 1   22   10   18 o   60.741   22.382   14.639   12.397  -9.8927   22.320   25.583   14.907   51.462   24.241   75.443   24.734 -23.98118 34.63224 
1 1 1   22   12    0 o  115.166   13.473   46.651   10.536   68.963   15.186   25.942   14.630  139.995   15.959   85.044   23.877 54.95056 28.71880 
1 1 1   22   12    1 o  534.593   6.6011  989.666   24.424  965.435   29.635  1040.98   43.124  527.916   8.1109  547.909   11.372 -19.99280 13.96805 
1 1 1   22   12    2 o  339.250   6.7078  398.565   15.750  384.380   19.137  428.341   27.726  333.095   8.3010  351.456   11.398 -18.36133 14.10079 
1 1 1   22   12    3 o  639.674   6.8305  1417.11   30.240  1413.49   36.985  1424.39   52.524  638.734   8.3663  640.815   11.843 -2.081482 14.49966 
1 1 1   22   12    4 o  455.773   5.6114  719.271   17.701  707.211   25.090  731.221   24.976  451.802   8.0237  459.418   7.8548 -7.616333 11.22845 
1 1 1   22   12    5 o  174.230   9.0889  105.511   10.922   95.369   15.887  114.601   15.040  165.088   14.038  181.314   12.054 -16.22650 18.50261 
1 1 1   22   12    6 o  491.878   5.7016  837.898   19.410  827.421   27.545  848.231   27.356  488.599   8.1456  494.720   7.9895 -6.120667 11.40973 
1 1 1   22   12    7 o  778.866   6.5764  2101.77   35.451  2120.11   50.779  2084.33   49.515  781.779   9.3847  775.186   9.2290 6.593750 13.16233 
1 1 1   22   12    8 o  224.258   8.3276  174.426   12.925  160.707   18.443  187.667   18.120  214.604   12.471  232.399   11.265 -17.79576 16.80568 
1 1 1   22   12    9 o  378.572   7.1507  496.964   18.736  494.146   31.564  498.496   23.281  376.787   12.104  378.948   8.8765 -2.161011 15.00983 
1 1 1   22   12   10 o  172.417   10.820  103.903   12.846  105.959   18.280  101.898   18.055  173.252   15.406  169.846   15.531 3.405777 21.87595 
1 1 1   22   12   11 o  152.147   11.637   81.362   12.161   93.684   17.102   68.757   17.296  162.439   15.395  138.079   18.569 24.35947 24.12135 
1 1 1   22   12   12 o  238.864   8.0061  198.716   13.236  213.393   18.426  183.069   19.025  246.887   10.783  228.027   12.098 18.85909 16.20620 
1 1 1   22   12   13 o  107.561   15.658   42.092   11.314   40.653   16.061   43.509   15.941  103.045   23.092  106.996   22.252 -3.951782 32.06871 
1 1 1   22   12   14 o   84.003   22.161   27.376   13.071   20.225   16.006   41.688   22.644   74.179   25.635  100.747   30.136 -26.56815 39.56413 
1 1 1   22   12   15 o  154.040   12.303   85.254   13.007   96.146   24.202   80.830   15.424  156.985   22.953  148.536   15.218 8.448990 27.54005 
1 1 1   22   12   16 o  123.307   15.364   56.653   12.827   52.390   23.396   58.485   15.338  108.215   30.128  123.412   18.529 -15.19685 35.36977 
1 1 1   22   12   17 o   39.161   17.839  -4.1847   10.655 -19.3155   14.880   11.735   15.263   38.034   18.409   60.382   24.140 -22.34787 30.35885 
1 1 1   22   12   18 o   47.006   19.541   5.0114   10.489   4.7386   14.557   5.3060   15.128   51.659   22.302   52.756   22.756 -1.096848 31.86235 
1 1 1   22   14    0 o  532.914   11.564  984.878   42.652   0.0000   0.0000  984.878   42.652  ?   ?   532.914   11.564 0.000000 11.56399 
1 1 1   22   14    1 f  448.734   6.7565  697.339   20.984  750.536   25.917  596.097   35.753  465.464   8.0449  414.518   12.462 50.94635 14.83332 
1 1 1   22   14    2 o  391.555   6.5986  530.940   17.882  507.639   21.718  580.000   31.513  382.792   8.1973  408.973   11.133 -26.18188 13.82548 
1 1 1   22   14    3 f  634.175   8.4402  1393.50   37.046  1393.50   37.046   0.0000   0.0000  634.175   8.4402  ?   ?  0.000000 8.440248 
1 1 1   22   14    4 o  511.980   5.6602  907.655   20.057  872.071   27.956  945.402   28.792  501.686   8.0512  522.361   7.9640 -20.67429 11.32461 
1 1 1   22   14    5 o  574.587   5.7979  1143.33   23.057  1132.59   32.605  1154.08   32.611  571.669   8.2406  577.075   8.1650 -5.406006 11.60060 
1 1 1   22   14    6 o  891.399   7.0632  2753.13   43.576  2721.70   61.313  2785.21   61.944  885.748   10.002  896.026   9.9886 -10.27734 14.13512 
1 1 1   22   14    7 o  333.843   6.4079  386.140   14.806  390.467   21.286  382.085   20.608  335.502   9.1667  331.898   8.9713 3.603760 12.82626 
1 1 1   22   14    8 o  249.400   8.8509  215.822   15.278  252.585   26.168  196.810   18.818  268.894   14.110  237.952   11.426 30.94276 18.15650 
1 1 1   22   14    9 o  282.339   10.333  277.103   20.192   0.0000   0.0000  277.103   20.192  ?   ?   282.339   10.333 0.000000 10.33300 
1 1 1   22   14   10 o   79.855   21.296   23.423   11.986   39.780   16.932   6.9893   16.971  103.553   24.080   62.837   25.337 40.71617 34.95401 
1 1 1   22   14   11 o  142.225   12.569   71.401   12.245   80.196   17.206   62.377   17.429  149.671   16.907  130.903   19.861 18.76759 26.08218 
1 1 1   22   14   12 o  179.412   10.121  112.945   12.516  117.676   17.348  107.809   18.075  182.061   13.872  173.782   15.180 8.279129 20.56342 
1 1 1   22   14   13 o   72.200   21.548   19.551   11.587   23.408   16.395   15.702   16.378   79.174   25.938   69.678   25.717 9.496735 36.52602 
1 1 1   22   14   14 o  133.494   12.741   63.944   11.629   74.772   16.478   53.200   16.414  142.561   17.038  118.207   20.824 24.35384 26.90625 
1 1 1   22   14   15 o   76.165   20.011   22.633   10.686   20.588   15.538   24.467   14.720   73.232   25.260   78.317   24.469 -5.085358 35.16840 
1 1 1   22   14   16 o   53.395   20.747   8.4645   10.995   20.242   16.772  -0.4097   14.559   71.898   26.103   49.346   21.779 22.55206 33.99529 
1 1 1   22   14   17 o   64.271   22.488   16.447   12.336  -7.0098   22.527   26.495   14.744   54.257   25.157   78.313   24.492 -24.05614 35.11069 
1 1 1   22   14   18 o   68.193   20.812   19.826   10.721   22.640   14.729   16.656   15.634   71.006   24.588   63.878   24.763 7.128155 34.89634 
1 1 1   22   16    0 o  911.688   8.3117  2879.63   52.446  2864.79   63.908  2910.24   91.779  909.078   10.157  915.454   14.485 -6.375305 17.69170 
1 1 1   22   16    1 o  501.763   5.7383  871.738   19.928  859.781   27.886  884.215   28.487  498.174   8.0879  505.199   8.1472 -7.024902 11.48003 
1 1 1   22   16    2 o  313.823   8.6087  341.257   18.698   0.0000   0.0000  341.257   18.698  ?   ?   313.823   8.6087 0.000000 8.608739 
1 1 1   22   16    3 o  485.811   5.6834  817.229   19.110  807.815   26.861  826.878   27.193  482.858   8.0374  488.522   8.0425 -5.663757 11.37023 
1 1 1   22   16    4 o  165.998   9.6158   95.857   11.000   98.198   16.202   93.856   14.983  167.523   14.105  163.850   13.328 3.672424 19.40561 
1 1 1   22   16    5 o  219.133   7.8352  166.409   11.883  165.378   16.946  167.407   16.668  217.999   11.270  219.641   10.965 -1.641006 15.72392 
1 1 1   22   16    6 o  267.191   7.1869  247.389   13.291  243.315   18.934  251.346   18.661  264.790   10.331  269.147   10.017 -4.357178 14.39047 
1 1 1   22   16    7 o   51.215   21.472   1.5470   12.820   22.273   21.869  -9.3057   15.825   84.418   29.907   48.061   21.834 36.35669 37.02888 
1 1 1   22   16    8 o  229.591   8.3288  182.872   13.235  189.932   18.994  176.209   18.451  233.393   11.797  224.766   11.903 8.626663 16.75867 
1 1 1   22   16    9 f  246.551   7.9727  210.970   13.605  215.522   19.433  206.594   19.053  248.836   11.283  243.625   11.299 5.210449 15.96853 
1 1 1   22   16   10 o  188.205   9.8393  123.643   12.772  143.694   18.258  104.428   17.873  202.287   13.111  171.850   15.183 30.43703 20.06092 
1 1 1   22   16   11 o  153.826   11.834   83.331   12.502  120.036   17.858   48.049   17.509  184.176   14.117  113.443   23.085 70.73328 27.05985 
1 1 1   22   16   12 o  108.149   15.880   42.420   11.532   53.040   16.412   32.063   16.208  119.533   20.581   91.543   24.915 27.99026 32.31603 
1 1 1   22   16   13 o  265.828   8.6978  247.207   16.002  274.470   19.809  196.000   27.149  279.521   10.240  232.658   16.977 46.86314 19.82617 
1 1 1   22   16   14 o  146.118   11.553   76.122   11.589   87.232   16.553   65.443   16.229  154.643   15.683  132.574   18.165 22.06830 23.99796 
1 1 1   22   16   15 o   76.815   20.204   23.134   10.885   24.500   15.608   21.840   15.188   78.168   25.290   74.565   24.986 3.603622 35.55066 
1 1 1   22   16   16 o  128.102   14.458   60.838   12.594   75.366   22.821   54.477   15.102  134.243   25.495  118.337   19.088 15.90651 31.84879 
1 1 1   22   16   17 o   49.133   20.019   6.0127   10.721  -8.0713   16.180   17.037   14.315   45.599   21.203   65.468   24.062 -19.86946 32.07129 
1 1 1   22   16   18 o   39.908   18.442  -5.1946   11.957   16.395   20.883 -15.7236   14.583   65.207   27.375   38.286   18.455 26.92065 33.01434 
1 1 1   22   18    0 o  170.372   9.8292  100.955   11.541  110.475   16.304   91.393   16.339  177.896   13.339  161.530   14.779 16.36578 19.90818 
1 1 1   22   18    1 o  640.108   6.0249  1418.86   26.692  1351.83   36.528  1495.65   39.100  624.609   8.4497  656.979   8.5990 -32.37024 12.05570 
1 1 1   22   18    2 o  124.746   12.401   54.538   10.565   63.133   15.609   47.270   14.353  133.599   17.286  115.053   18.665 18.54585 25.43941 
1 1 1   22   18    3 o  567.319   5.7991  1114.54   22.770  1089.92   31.902  1140.12   32.511  560.823   8.2188  573.597   8.1893 -12.77435 11.60231 
1 1 1   22   18    4 o  400.272   5.8843  554.868   16.301  557.634   23.265  552.201   22.847  401.110   8.3805  399.159   8.2702 1.950989 11.77405 
1 1 1   22   18    5 o  135.623   12.234   64.403   11.360   63.973   16.551   64.786   15.620  134.202   18.296  135.292   17.061 -1.090103 25.01667 
1 1 1   22   18    6 o  299.977   7.6802  311.921   15.945  324.878   27.947  305.667   19.416  305.648   13.211  296.828   9.4509 8.819794 16.24365 
1 1 1   22   18    7 o  164.556   12.684   94.749   14.335  101.797   18.015   82.585   23.668  170.165   15.465  151.481   23.324 18.68481 27.98508 
1 1 1   22   18    8 o  185.498   11.266  120.102   14.396  132.971   18.368   99.610   23.179  194.835   13.708  167.109   20.469 27.72598 24.63506 
1 1 1   22   18    9 o  197.227   10.837  135.805   14.737  152.244   18.670  108.634   24.002  208.471   13.004  174.292   20.276 34.17952 24.08826 
1 1 1   22   18   10 o  253.451   8.8920  223.498   15.598  241.073   25.742  213.301   19.607  261.754   14.263  247.164   11.462 14.58971 18.29804 
1 1 1   22   18   11 o  124.897   13.849   55.571   11.770   41.966   16.710   68.970   16.582  105.579   23.475  138.149   17.754 -32.56989 29.43233 
1 1 1   22   18   12 o  159.274   12.722   90.020   13.907   86.311   17.241   96.927   23.530  154.699   16.350  161.753   21.554 -7.053116 27.05392 
1 1 1   22   18   13 o  172.885   10.022  105.352   11.940  135.477   17.186   77.247   16.600  195.051   12.802  145.473   16.796 49.57794 21.11860 
1 1 1   22   18   14 o  168.843   10.059  100.905   11.701  123.527   17.070   80.855   16.071  185.330   13.399  148.581   15.874 36.74864 20.77234 
1 1 1   22   18   15 o   75.715   22.219   22.835   12.404   17.215   20.507   26.078   15.576   71.651   28.192   80.052   25.197 -8.401611 37.81087 
1 1 1   22   18   16 o   46.648   19.730   2.9479   10.980   4.5323   16.130   1.5798   14.988   55.160   23.640   51.269   22.377 3.891083 32.55169 
1 1 1   22   18   17 o  113.658   14.319   48.722   11.014   47.369   16.132   49.903   15.074  105.854   22.700  110.626   20.440 -4.771278 30.54689 
1 1 1   22   18   18 o   25.971   13.007 -24.8883   9.9387 -20.7848   13.864 -29.2270   14.255   34.792   17.045   32.413   16.129 2.379646 23.46655 
1 1 1   22   20    0 o  646.102   6.0914  1445.64   27.239  1407.81   37.908  1486.04   39.168  637.364   8.5933  654.828   8.6422 -17.46387 12.18743 
1 1 1   22   20    1 o  159.442   10.397   88.534   11.410   75.045   16.043  102.343   16.232  146.008   16.146  171.097   13.825 -25.08871 21.25634 
1 1 1   22   20    2 o  364.280   5.9879  459.558   15.097  422.570   21.043  498.786   21.671  349.169   8.7076  379.384   8.2534 -30.21405 11.99753 
1 1 1   22   20    3 o  290.715   6.7885  292.767   13.659  291.584   19.530  293.901   19.111  289.972   9.7311  291.137   9.4842 -1.165100 13.58839 
1 1 1   22   20    4 o  318.042   6.3718  350.380   14.026  339.753   19.924  360.819   19.748  313.016   9.1968  322.599   8.8445 -9.583008 12.75956 
1 1 1   22   20    5 o  201.092   9.9301  140.307   13.820  103.854   23.882  158.662   16.946  171.079   20.583  213.436   11.514 -42.35693 23.58442 
1 1 1   22   20    6 o  218.901   8.7078  166.204   13.193  175.508   18.848  157.267   18.472  224.373   12.183  212.296   12.629 12.07668 17.54729 
1 1 1   22   20    7 o  298.939   8.0847  309.964   16.727  313.543   20.829  303.463   28.072  300.475   10.016  295.147   13.742 5.327789 17.00477 
1 1 1   22   20    8 o  128.612   15.978   58.727   13.916   44.694   17.485   82.976   22.984  110.327   23.612  151.647   22.588 -41.32015 32.67652 
1 1 1   22   20    9 o  226.074   9.6674  177.796   15.126  173.729   18.887  185.073   25.262  222.784   12.296  229.075   16.035 -6.290558 20.20676 
1 1 1   22   20   10 o  124.927   29.345   59.610   24.941   0.0000   0.0000   59.610   24.941  ?   ?   124.927   29.345 0.000000 29.34490 
1 1 1   22   20   11 o  147.000   17.127   77.913   17.099   77.913   17.099   0.0000   0.0000  147.000   17.127  ?   ?  0.000000 17.12718 
1 1 1   22   20   12 o  132.516   14.466   63.070   13.052   50.857   16.226   85.463   21.971  116.524   20.886  151.471   21.567 -34.94678 30.02319 
1 1 1   22   20   13 o  132.301   12.550   62.625   11.354   72.795   16.497   53.473   15.650  140.772   17.296  119.367   19.625 21.40525 26.15924 
1 1 1   22   20   14 o  152.570   12.395   83.553   12.976   49.756   22.296  100.862   15.956  108.910   29.045  166.955   13.936 -58.04548 32.21574 
1 1 1   22   20   15 o   84.447   19.444   27.942   11.129   35.173   15.645   20.534   15.836   92.488   24.171   72.542   25.473 19.94551 35.11627 
1 1 1   22   20   16 o  150.537   11.026   81.814   11.408   67.123   16.429   95.494   15.853  131.422   18.580  160.399   14.435 -28.97632 23.52841 
1 1 1   22   20   17 o   63.633   20.831   16.597   10.575   8.3978   14.919   24.877   14.992   55.887   23.275   75.035   24.814 -19.14743 34.02170 
1 1 1   22   20   18 o   28.180   13.912 -18.4352   9.8357 -13.2229   13.603 -24.1452   14.238   37.585   18.043   33.982   16.769 3.602505 24.63266 
1 1 1   22   22    0 o  302.560   6.8370  317.104   14.317  294.522   20.336  339.296   20.160  291.417   10.083  312.835   9.3108 -21.41754 13.72418 
1 1 1   22   22    1 o  159.167   10.816   88.296   11.845   89.298   16.709   87.283   16.793  159.509   15.324  157.641   15.596 1.867432 21.86448 
1 1 1   22   22    2 o  162.717   10.682   92.254   11.963   90.918   17.080   93.541   16.761  160.915   15.529  163.317   14.996 -2.402466 21.58723 
1 1 1   22   22    3 o  290.369   6.8813  292.108   13.829  258.101   19.103  329.556   20.046  272.763   10.119  308.269   9.3956 -35.50540 13.80836 
1 1 1   22   22    4 o  177.976   11.156  110.401   13.672   98.244   23.235  116.840   16.910  166.339   20.625  182.825   13.458 -16.48668 24.62713 
1 1 1   22   22    5 o  334.505   6.5076  387.693   15.066  373.202   21.475  401.737   21.142  327.970   9.4609  340.322   8.9758 -12.35181 13.04120 
1 1 1   22   22    6 f   39.477   18.641 -15.1192   13.351 -31.3562   16.842   12.337   21.900   38.880   18.992   74.623   29.202 -35.74332 34.83474 
1 1 1   22   22    7 o  441.070   7.1469  674.561   21.817  660.918   26.784  701.463   37.612  436.354   8.8688  448.950   12.104 -12.59665 15.00577 
1 1 1   22   22    8 o  177.826   12.052  110.690   14.746  116.579   18.234   99.561   25.066  182.046   14.595  166.256   22.350 15.78975 26.69356 
1 1 1   22   22    9 o   81.347   22.610   24.359   13.188   17.853   16.055   37.859   23.126   73.680   25.661  100.902   30.517 -27.22239 39.87208 
1 1 1   22   22   10 o   82.325   26.377   24.598   17.010   24.598   17.010   0.0000   0.0000   82.325   26.377  ?   ?  0.000000 26.37731 
1 1 1   22   22   11 o   63.667   26.866   4.1541   20.283   0.0000   0.0000   4.1541   20.283  ?   ?    63.667   26.866 0.000000 26.86627 
1 1 1   22   22   12 o   63.071   22.720   13.026   12.671   24.116   15.949  -5.9561   20.866   79.958   25.533   56.804   25.506 23.15376 36.08984 
1 1 1   22   22   13 o   71.467   22.726   19.287   12.646   19.244   15.722   19.366   21.283   72.711   25.390   76.250   29.063 -3.538734 38.59121 
1 1 1   22   22   14 o   67.817   21.266   17.627   11.107   7.6398   15.868   27.221   15.552   59.094   24.248   82.268   25.058 -23.17483 34.86931 
1 1 1   22   22   15 o   95.080   17.392   34.620   11.023   47.946   15.498   20.976   15.682  110.017   21.122   72.744   25.360 37.27258 33.00419 
1 1 1   22   22   16 o   68.414   20.852   19.004   10.767   29.239   15.437   9.3098   15.024   82.286   24.943   57.861   23.651 24.42550 34.37344 
1 1 1   22   22   17 o   73.857   19.949   22.775   10.437   4.1892   14.662   41.867   14.861   51.539   22.316   98.952   22.240 -47.41323 31.50641 
1 1 1   22   24    0 o  405.006   6.2035  568.151   17.389  535.249   24.269  602.864   24.928  392.914   8.9242  417.018   8.6368 -24.10428 12.41918 
1 1 1   22   24    1 o  645.009   6.1888  1441.04   27.628  1388.86   38.391  1497.10   39.790  632.932   8.7639  657.133   8.7488 -24.20123 12.38331 
1 1 1   22   24    2 o  289.731   7.0679  290.856   14.173  263.316   19.975  318.780   20.113  275.469   10.477  303.163   9.5858 -27.69394 14.20042 
1 1 1   22   24    3 o  156.307   13.141   85.527   14.084   65.805   25.130   94.560   17.006  134.126   27.977  164.120   15.143 -29.99371 31.81184 
1 1 1   22   24    4 o   96.270   24.850   33.859   16.671   0.0000   0.0000   33.859   16.671  ?   ?    96.270   24.850 0.000000 24.85024 
1 1 1   22   24    5 o   72.297   21.718   18.542   11.742   24.378   17.159   13.402   16.103   83.549   26.463   69.068   25.498 14.48103 36.74842 
1 1 1   22   24    6 o  248.113   9.1512  213.682   15.715  199.035   19.357  242.000   26.914  239.228   11.691  262.981   14.848 -23.75241 18.89787 
1 1 1   22   24    7 o  178.036   11.929  110.854   14.614  108.454   18.229  115.171   24.450  175.523   15.154  179.827   19.983 -4.304352 25.07911 
1 1 1   22   24    8 o  215.643   10.016  161.814   14.949  153.327   18.575  177.415   25.185  209.148   12.895  224.209   16.342 -15.06029 20.81680 
1 1 1   22   24    9 f  183.323   11.582  117.884   14.619  114.792   17.937  124.000   25.230  180.206   14.505  185.664   19.947 -5.457672 24.66300 
1 1 1   22   24   10 o   43.602   19.011  -1.5031   10.793   6.9701   15.994  -8.5873   14.625   60.757   24.562   45.566   20.812 15.19156 32.19385 
1 1 1   22   24   11 o   56.821   24.082   2.5390   16.411   2.5390   16.411   0.0000   0.0000   56.821   24.082  ?   ?  0.000000 24.08206 
1 1 1   22   24   12 o  127.298   13.606   58.213   11.802   61.308   17.184   55.449   16.237  128.083   20.042  121.722   19.966 6.361549 28.28989 
1 1 1   22   24   13 o   49.264   21.893  -2.8252   14.961   10.107   21.547 -14.8634   20.789   67.929   28.104   50.968   23.811 16.96042 36.83494 
1 1 1   22   24   14 o   77.967   22.215   24.144   12.568   16.768   15.234   39.863   22.239   68.175   24.858   96.238   30.077 -28.06213 39.02007 
1 1 1   22   24   15 o  130.373   14.653   63.016   12.993   55.437   15.191   83.659   25.072  119.587   18.989  140.706   26.722 -21.11945 32.78188 
1 1 1   22   24   16 o   86.642   18.853   30.041   10.984   43.517   15.668   17.016   15.404  101.834   22.798   66.113   24.833 35.72095 33.71082 
1 1 1   22   24   17 o   45.019   19.496   2.2507   11.192  -1.2376   14.345   7.6780   17.893   46.576   21.009   57.124   24.694 -10.54819 32.42176 
1 1 1   22   26    0 o  440.771   7.1490  673.211   21.809  622.927   37.125  699.708   26.949  423.387   12.669  449.221   8.6677 -25.83334 15.35055 
1 1 1   22   26    1 o  299.391   7.2267  310.618   14.975  273.461   21.487  345.705   20.880  280.654   11.062  315.685   9.5566 -35.03122 14.61834 
1 1 1   22   26    2 o  477.574   6.9687  790.330   23.034  781.951   40.192  794.427   28.108  474.375   12.242  478.656   8.4845 -4.280792 14.89436 
1 1 1   22   26    3 o  366.278   6.6233  464.862   16.790  386.933   23.274  549.430   24.246  333.889   10.072  398.008   8.8016 -64.11926 13.37559 
1 1 1   22   26    4 o  242.789   8.3282  204.436   13.994  183.602   19.517  226.482   20.077  229.458   12.335  255.304   11.362 -25.84529 16.77046 
1 1 1   22   26    5 o  236.707   8.3996  194.380   13.761  195.157   19.911  193.670   19.040  236.542   12.204  236.002   11.656 0.5398560 16.87616 
1 1 1   22   26    6 o  420.840   7.2040  614.191   20.983  591.280   25.401  663.415   37.232  412.687   8.8932  436.487   12.324 -23.80072 15.19800 
1 1 1   22   26    7 o  145.938   14.170   75.120   14.132   68.320   17.358   88.488   24.338  138.137   18.631  156.263   23.209 -18.12622 29.76140 
1 1 1   22   26    8 o  150.588   14.121   80.143   14.545   88.118   17.341   61.220   26.713  157.486   16.138  126.848   30.747 30.63797 34.72490 
1 1 1   22   26    9 o  304.887   6.8210  322.915   14.394  330.390   20.739  315.970   19.992  307.785   9.7357  301.027   9.5958 6.758301 13.66978 
1 1 1   22   26   10 o   80.839   21.626   24.540   12.336   24.424   21.769   24.595   14.973   83.943   29.827   81.166   24.557 2.776245 38.63546 
1 1 1   22   26   11 o   53.294   20.538   7.3981   10.705   7.0761   15.455   7.6951   14.843   59.504   24.113   59.334   23.776 0.1696205 33.86348 
1 1 1   22   26   12 o   71.493   23.046   19.094   12.970   38.341   23.086   10.216   15.679   97.211   30.685   62.453   24.626 34.75852 39.34473 
1 1 1   22   26   13 o  153.530   10.730   83.805   11.330   70.551   16.068   96.912   15.979  137.930   17.205  163.543   14.259 -25.61316 22.34621 
1 1 1   22   26   14 o   49.304   20.166   4.8969   10.932  -4.7993   14.938   16.079   16.042   47.089   21.322   67.541   25.347 -20.45166 33.12255 
1 1 1   22   26   15 o   44.388   19.842  -2.2052   12.480 -12.4565   14.523   26.737   24.403   41.104   19.420   79.932   30.951 -38.82801 36.53893 
1 1 1   22   26   16 o   72.091   24.582   22.250   14.704   22.250   14.704   0.0000   0.0000   72.091   24.582  ?   ?  0.000000 24.58218 
1 1 1   22   26   17 o   47.915   19.582   6.2920   10.297   15.281   14.932  -1.8556   14.217   61.683   24.120   45.637   20.718 16.04605 31.79669 
1 1 1   22   28    0 o  613.207   7.2952  1303.26   30.962  1181.46   52.256  1369.15   38.435  582.887   12.953  628.291   8.8386 -45.40417 15.68125 
1 1 1   22   28    1 o   57.479   23.413   4.5853   14.658   32.385   26.362  -7.8556   17.636   97.912   32.918   52.341   23.479 45.57056 40.43306 
1 1 1   22   28    2 o  659.562   6.3945  1507.31   29.191  1422.11   40.256  1601.78   42.390  640.244   9.0846  679.499   9.0136 -39.25494 12.79748 
1 1 1   22   28    3 o  333.682   6.9590  385.919   16.071  380.034   22.681  391.853   22.776  330.861   9.9046  335.978   9.7948 -5.117188 13.92981 
1 1 1   22   28    4 o  221.623   9.1064  170.473   13.968  156.801   19.617  184.533   19.894  211.763   13.455  229.940   12.548 -18.17766 18.39761 
1 1 1   22   28    5 o  150.381   12.446   79.275   12.837   73.342   18.108   85.268   18.201  143.423   18.686  155.127   17.244 -11.70375 25.42694 
1 1 1   22   28    6 o   50.413   21.206   1.3965   12.573   11.448   17.245 -10.0107   18.371   67.895   26.093   51.953   23.572 15.94263 35.16350 
1 1 1   22   28    7 o  221.322   9.8220  170.471   15.045  178.704   18.453  154.146   25.985  226.013   11.838  208.286   18.208 17.72713 21.71811 
1 1 1   22   28    8 o  177.962   10.427  110.852   12.787  109.237   17.940  112.521   18.232  175.626   14.899  178.258   14.915 -2.632645 21.08168 
1 1 1   22   28    9 o  126.196   13.154   56.577   11.320   49.008   15.888   64.381   16.134  115.161   20.694  133.322   17.940 -18.16086 27.38811 
1 1 1   22   28   10 o  137.870   12.358   67.443   11.667   78.744   16.538   56.246   16.463  147.732   16.454  123.328   19.969 24.40327 25.87505 
1 1 1   22   28   11 o   88.780   20.951   30.026   12.666   59.122   22.174   15.935   15.431  122.619   26.870   69.084   25.044 53.53575 36.73159 
1 1 1   22   28   12 o  124.067   15.413   56.198   12.950   42.606   15.687   85.268   22.943  104.866   22.300  149.019   22.984 -44.15323 32.02456 
1 1 1   22   28   13 o  182.149   9.2734  117.204   11.652  108.903   16.864  124.787   16.118  173.214   14.192  186.402   12.567 -13.18835 18.95619 
1 1 1   22   28   14 o   60.168   21.145   13.199   10.912   1.4860   15.132   25.891   15.752   51.939   22.580   79.309   25.380 -27.37024 33.97035 
1 1 1   22   28   15 o   35.721   16.654  -7.3497   10.088   3.1843   14.497 -17.2372   14.045   51.727   22.294   37.683   18.151 14.04337 28.74876 
1 1 1   22   28   16 o   71.220   19.411   20.870   9.8298   9.9688   13.694   32.459   14.119   56.372   22.749   86.483   23.135 -30.11162 32.44650 
1 1 1   22   28   17 o   91.084   20.418   35.638   12.553   20.264   14.541   80.634   24.876   66.802   24.296  126.852   28.970 -60.05021 37.80972 
1 1 1   22   30    0 o  243.152   10.427  205.322   17.548  145.268   31.662  231.946   21.082  201.902   23.072  258.309   11.792 -56.40718 25.91111 
1 1 1   22   30    1 o  531.604   6.2970  979.250   23.169  874.400   31.567  1101.69   34.112  501.982   9.0858  563.517   8.7463 -61.53491 12.61151 
1 1 1   22   30    2 o  608.693   6.3297  1283.94   26.666  1183.83   36.330  1400.87   39.264  584.070   8.9872  635.371   8.9287 -51.30127 12.66854 
1 1 1   22   30    3 o  402.084   6.5560  560.365   18.245  541.112   25.456  580.703   26.162  394.797   9.3162  408.995   9.2423 -14.19827 13.12293 
1 1 1   22   30    4 o  218.573   9.2959  165.910   14.063  155.734   19.767  176.337   20.010  210.911   13.614  224.604   12.927 -13.69281 18.77371 
1 1 1   22   30    5 o   53.499   21.650   4.5193   12.440   2.3486   17.398   6.7900   17.793   59.421   24.968   63.987   25.893 -4.566406 35.97021 
1 1 1   22   30    6 o  114.825   16.295   47.185   12.586   76.754   17.548   15.859   18.062  146.651   17.643   73.333   27.017 73.31790 32.26761 
1 1 1   22   30    7 o  205.489   12.870  148.361   18.212  148.361   18.212   0.0000   0.0000  205.489   12.870  ?   ?  0.000000 12.86996 
1 1 1   22   30    8 o  106.037   16.145   40.621   11.474   50.044   16.840   32.455   15.677  116.235   21.732   92.831   24.164 23.40401 32.49934 
1 1 1   22   30    9 o  174.015   9.8926  106.198   11.865  114.626   17.123   98.414   16.457  179.686   13.876  166.238   14.447 13.44807 20.03155 
1 1 1   22   30   10 o  239.706   8.9624  200.885   14.869  188.634   26.763  206.354   17.883  228.705   17.029  242.437   10.658 -13.73241 20.08938 
1 1 1   22   30   11 f   75.973   20.286   21.995   10.867   33.480   15.310   10.331   15.429   92.656   23.760   62.381   24.482 30.27509 34.11623 
1 1 1   22   30   12 o  132.250   12.237   62.719   11.074   63.352   15.744   62.100   15.578  130.417   17.915  129.101   17.918 1.316574 25.33790 
1 1 1   22   30   13 o   97.617   16.374   35.771   10.671   47.579   16.020   26.356   14.306  109.940   21.824   80.888   23.897 29.05281 32.36289 
1 1 1   22   30   14 o  138.162   11.388   68.869   10.792   81.777   15.399   56.408   15.130  148.359   15.212  120.890   18.685 27.46840 24.09425 
1 1 1   22   30   15 o   72.061   19.844   21.093   10.211   15.855   15.117   25.489   13.848   64.790   24.541   77.420   23.659 -12.62912 34.08873 
1 1 1   22   30   16 o   35.313   16.403  -5.8993   9.6430 -17.4789   13.944   4.7149   13.350   36.709   17.781   50.366   21.544 -13.65627 27.93419 
1 1 1   22   32    0 o  398.014   6.8054  549.157   18.747  543.806   26.318  554.669   26.711  395.729   9.6090  399.655   9.6565 -3.926117 13.62279 
1 1 1   22   32    1 o  163.208   14.756   93.685   16.488   85.805   29.927   97.119   19.757  152.600   29.402  165.669   17.496 -13.06888 34.21341 
1 1 1   22   32    2 o  498.990   6.3965  863.064   22.091  826.570   30.850  901.469   31.647  487.912   9.1355  509.568   8.9735 -21.65659 12.80551 
1 1 1   22   32    3 o  440.267   6.4784  671.997   19.740  631.942   27.343  715.603   28.529  426.540   9.2622  453.929   9.0808 -27.38947 12.97106 
1 1 1   22   32    4 o  376.868   6.6928  492.569   17.457  468.642   24.305  518.066   25.089  367.187   9.5640  386.095   9.3890 -18.90781 13.40236 
1 1 1   22   32    5 o  301.941   7.3008  316.442   15.257  296.963   21.335  336.828   21.827  292.023   10.556  311.082   10.138 -19.05945 14.63568 
1 1 1   22   32    6 o  138.730   15.520   68.480   14.647   78.271   17.636   46.712   26.295  147.889   17.574  110.920   32.293 36.96944 36.76548 
1 1 1   22   32    7 o  124.016   16.963   55.402   14.178   54.211   17.340   57.805   24.628  121.299   21.439  122.728   29.384 -1.428398 36.37362 
1 1 1   22   32    8 o  210.845   8.8729  155.033   12.948  146.334   18.798  162.887   17.861  203.420   13.427  215.102   12.045 -11.68269 18.03853 
1 1 1   22   32    9 o  227.230   8.0623  180.051   12.679  175.518   18.006  184.510   17.858  223.124   11.701  229.200   11.257 -6.076675 16.23686 
1 1 1   22   32   10 o  173.486   9.8883  105.928   11.824   76.378   16.748  135.290   16.695  144.736   17.046  195.227   12.420 -50.49095 21.09101 
1 1 1   22   32   11 o  101.223   16.108   37.808   10.907   63.532   16.102   15.997   14.827  130.770   18.291   68.112   24.571 62.65744 30.63123 
1 1 1   22   32   12 o  106.160   14.481   41.324   10.363   34.924   15.551   46.435   13.898   93.376   23.948  110.655   18.821 -17.27904 30.45862 
1 1 1   22   32   13 o   56.021   21.435   9.6929   11.606   8.4281   15.448   11.332   17.584   58.792   24.001   63.715   25.755 -4.923256 35.20520 
1 1 1   22   32   14 o   69.541   20.900   19.438   10.873   12.166   13.715   31.741   17.838   60.273   23.241   85.387   26.975 -25.11357 35.60577 
1 1 1   22   32   15 o   54.592   19.900   10.829   9.7625   0.4260   14.199   20.154   13.444   48.461   21.442   69.358   23.506 -20.89784 31.81695 
1 1 1   22   32   16 o   89.915   16.902   32.320   10.132   41.123   15.232   25.332   13.570   96.307   23.140   74.959   23.506 21.34713 32.98486 
1 1 1   22   34    0 o  226.984   8.5562  178.876   13.442  175.658   26.822  179.954   15.533  223.124   17.509  227.546   9.8630 -4.422241 20.09611 
1 1 1   22   34    1 o  221.409   11.635  171.151   17.767  168.098   32.153  172.493   21.317  217.075   21.692  221.853   13.954 -4.777725 25.79229 
1 1 1   22   34    2 o  419.367   6.6599  609.902   19.330  575.211   27.626  643.177   27.057  406.759   9.8132  430.261   9.0859 -23.50156 13.37353 
1 1 1   22   34    3 o  224.110   9.3856  174.611   14.558  156.919   20.413  192.924   20.768  211.404   14.031  234.760   12.830 -23.35645 19.01289 
1 1 1   22   34    4 o  269.617   8.1513  252.546   15.211  247.477   21.588  257.544   21.436  266.345   11.711  271.767   11.396 -5.421417 16.34069 
1 1 1   22   34    5 o  342.430   7.8629  407.490   18.635  379.195   22.541  468.585   33.122  329.928   9.8713  365.849   13.081 -35.92014 16.38772 
1 1 1   22   34    6 o  321.929   7.0444  360.074   15.696  334.316   21.581  388.999   22.869  309.561   10.073  333.967   9.8940 -24.40552 14.11910 
1 1 1   22   34    7 o  194.224   10.996  132.442   14.721  126.366   18.019  144.634   25.526  188.897   13.879  200.404   18.616 -11.50693 23.22049 
1 1 1   22   34    8 o  218.337   9.8153  166.740   14.832  179.073   18.772  146.244   24.199  225.346   12.080  201.468   17.529 23.87770 21.28848 
1 1 1   22   34    9 o  182.598   11.000  117.631   13.836  103.707   24.541  124.119   16.753  166.828   21.774  186.873   13.034 -20.04532 25.37709 
1 1 1   22   34   10 o  124.673   13.428   55.893   11.404   54.973   16.084   56.824   16.171  121.032   19.892  123.217   19.620 -2.185608 27.93970 
1 1 1   22   34   11 o  150.371   10.870   80.369   11.237   89.015   15.880   71.699   15.902  156.570   14.831  139.445   16.816 17.12434 22.42180 
1 1 1   22   34   12 o   34.837   16.346  -8.9484   9.9766   5.8539   14.889 -21.0093   13.440   56.023   23.285   35.431   17.231 20.59232 28.96710 
1 1 1   22   34   13 o   59.966   21.527   12.940   11.366   19.784   15.115   4.0312   17.244   71.001   24.889   56.579   24.350 14.42185 34.81961 
1 1 1   22   34   14 o   37.480   17.141  -4.6507   9.9604 -12.2688   14.422   2.2968   13.773   40.822   19.306   49.912   21.620 -9.089989 28.98574 
1 1 1   22   34   15 o   52.309   19.531   9.6512   9.5003   10.763   13.907   8.6778   13.009   57.359   23.003   54.311   22.082 3.047218 31.88658 
1 1 1   22   34   16 f   82.222   19.490   28.702   10.922   11.849   19.450   36.464   13.200   60.117   25.867   91.428   21.262 -31.31083 33.48360 
1 1 1   22   36    0 o  339.792   6.6623  400.526   15.668  360.878   30.899  414.249   18.178  321.229   13.898  345.437   7.6035 -24.20807 15.84215 
1 1 1   22   36    1 o  171.037   12.299  102.607   14.462   63.951   28.049  116.603   16.878  129.916   31.517  182.150   13.484 -52.23376 34.27996 
1 1 1   22   36    2 o   85.158   24.584   26.609   15.297 -13.5073   26.641   46.343   18.685   62.386   28.337  111.653   24.822 -49.26710 37.67106 
1 1 1   22   36    3 o  179.766   11.243  113.170   13.917  112.486   19.559  113.871   19.807  178.138   16.036  179.213   16.142 -1.074387 22.75389 
1 1 1   22   36    4 o  257.280   9.5958  230.577   17.087  220.632   21.065  249.707   29.215  251.180   12.117  265.754   15.958 -14.57396 20.03687 
1 1 1   22   36    5 o  236.325   8.6929  194.464   14.218  177.625   19.821  212.314   20.408  224.709   12.798  246.256   11.974 -21.54724 17.52572 
1 1 1   22   36    6 o  104.613   17.951   40.012   12.529   17.240   17.506   63.926   17.940   73.419   26.666  132.045   20.278 -58.62563 33.50054 
1 1 1   22   36    7 o  130.055   18.482   61.754   16.168   36.322   22.687   88.000   23.047   97.152   30.381  154.062   22.260 -56.90971 37.66336 
1 1 1   22   36    8 o   98.555   20.448   36.529   13.491   24.795   24.381   41.708   16.197   84.970   31.374  104.546   23.008 -19.57540 38.90622 
1 1 1   22   36    9 o   85.806   18.929   27.766   10.940   18.403   15.459   37.159   15.484   72.037   25.176   98.018   23.187 -25.98101 34.22628 
1 1 1   22   36   10 f   44.542   19.254  -0.0362   10.878  -3.7207   15.662   3.3978   15.120   49.868   22.265   54.817   23.168 -4.948589 32.13193 
1 1 1   22   36   11 o  126.531   12.172   57.573   10.528   74.843   16.301   45.214   13.790  142.105   16.906  109.083   18.953 33.02254 25.39719 
1 1 1   22   36   12 o  129.830   13.495   61.503   11.949   68.052   15.580   52.146   18.622  134.627   17.107  113.081   24.502 21.54633 29.88261 
1 1 1   22   36   13 o   50.037   19.690   6.9415   10.005   10.766   14.131   3.0971   14.167   59.160   23.362   51.549   22.126 7.610245 32.17677 
1 1 1   22   36   14 o   28.818   14.273 -22.2375   10.657 -24.3463   20.014 -21.4029   12.591   43.639   21.177   32.980   16.175 10.65909 26.64754 
1 1 1   22   36   15 o   59.678   22.748   13.755   13.039   0.0000   0.0000   13.755   13.039  ?   ?    59.678   22.748 0.000000 22.74753 
1 1 1   22   38    0 o  157.109   11.292   86.589   12.197   56.293   24.886   96.167   13.992  121.642   29.795  165.410   12.310 -43.76810 32.23812 
1 1 1   22   38    1 o  378.859   6.3607  498.099   16.678  450.390   32.674  514.910   19.396  358.618   13.164  385.033   7.2783 -26.41425 15.04234 
1 1 1   22   38    2 o   78.571   21.074   22.809   11.696 -26.5902   25.244   36.313   13.198   54.059   25.559   99.377   19.883 -45.31813 32.38270 
1 1 1   22   38    3 o  362.926   7.3389  457.731   18.434  426.146   33.714  471.201   22.017  348.263   13.987  367.928   8.6461 -19.66522 16.44357 
1 1 1   22   38    4 o  184.459   10.732  119.302   13.642  127.574   18.980  110.462   19.622  189.753   14.563  175.964   16.296 13.78908 21.85547 
1 1 1   22   38    5 o  321.994   7.1195  360.535   15.866  331.592   22.383  389.764   22.493  307.924   10.503  334.092   9.7277 -26.16806 14.31564 
1 1 1   22   38    6 o  257.532   8.2313  231.195   14.672  207.346   20.745  255.061   20.752  242.469   12.403  269.690   11.118 -27.22151 16.65681 
1 1 1   22   38    7 o   84.641   25.929   27.242   16.621   3.8361   25.208   45.244   22.107   68.928   29.547  106.971   29.091 -38.04388 41.46471 
1 1 1   22   38    8 o   92.906   20.888   32.833   13.105   36.210   16.498   27.059   21.571   96.418   24.633   85.260   29.742 11.15782 38.61847 
1 1 1   22   38    9 o  111.243   15.271   45.197   11.448   58.001   16.170   32.329   16.209  124.443   19.407   90.502   25.034 33.94094 31.67569 
1 1 1   22   38   10 o  130.159   18.449   63.449   16.155   63.449   16.155   0.0000   0.0000  130.159   18.449  ?   ?  0.000000 18.44941 
1 1 1   22   38   11 o   42.992   18.559   0.3728   10.079  -4.7523   15.200   4.3948   13.465   47.729   21.569   52.646   22.034 -4.917416 30.83381 
1 1 1   22   38   12 o  144.856   10.605   75.178   10.558   86.232   15.794   66.247   14.197  152.586   15.156  133.271   15.692 19.31503 21.81639 
1 1 1   22   38   13 o   90.481   18.622   32.322   11.273   24.932   20.483   35.534   13.502   76.807   28.678   93.264   21.375 -16.45691 35.76719 
1 1 1   22   38   14 o  125.880   13.461   59.177   11.546   62.878   22.153   57.797   13.529  116.899   27.789  122.310   16.395 -5.411133 32.26463 
1 1 1   22   38   15 o   47.361   18.843   6.8744   9.2561   2.4132   13.631   10.691   12.609   48.020   21.140   55.107   21.971 -7.086967 30.48931 
1 1 1   22   40    0 o   78.249   20.232   22.709   11.038   30.390   23.400   20.511   12.518   91.930   31.013   74.882   22.408 17.04796 38.26141 
1 1 1   22   40    1 o   60.033   21.289   11.454   11.084   10.180   22.520   11.861   12.733   71.879   29.115   62.418   22.731 9.461548 36.93756 
1 1 1   22   40    2 o  218.998   9.5725  167.297   14.509  144.976   26.490  176.863   17.342  200.603   19.318  224.856   11.143 -24.25259 22.30174 
1 1 1   22   40    3 o  137.076   20.087   68.706   18.492   0.0000   0.0000   68.706   18.492  ?   ?   137.076   20.087 0.000000 20.08724 
1 1 1   22   40    4 o  113.145   14.917   46.016   11.396   50.244   25.571   44.968   12.731  113.058   31.504  111.199   17.088 1.858528 35.84021 
1 1 1   22   40    5 o   50.867   20.340   5.1894   10.838 -11.4488   23.521   9.6744   12.212   57.928   26.433   58.527   22.085 -0.5989761 34.44477 
1 1 1   22   40    6 o  262.103   9.4745  240.385   17.187  196.976   32.269  257.578   20.308  231.964   20.304  270.856   10.833 -38.89142 23.01293 
1 1 1   22   40    7 o   52.869   21.301   5.6195   11.984 -20.0986   16.668   33.142   17.243   42.384   20.246   92.097   25.944 -49.71227 32.90884 
1 1 1   22   40    8 o   36.100   17.393 -18.2071   12.921 -16.2891   16.068 -21.7171   21.736   43.005   20.351   49.539   23.509 -6.533245 31.09370 
1 1 1   22   40    9 o  176.436   9.8755  109.992   12.011  104.341   16.401  116.528   17.638  170.041   14.062  179.628   14.306 -9.587097 20.06026 
1 1 1   22   40   10 o   39.090   17.865  -5.6741   10.796  -4.7629   15.294  -6.5790   15.241   48.027   21.676   46.700   21.297 1.326935 30.38755 
1 1 1   22   40   11 o   82.078   21.186   26.863   12.117   14.233   15.333   47.873   19.776   64.797   24.674  106.467   26.844 -41.67071 36.46107 
1 1 1   22   40   12 o   47.209   19.213   4.9100   9.8610  -4.4648   14.431   13.123   13.506   45.943   20.863   61.361   23.208 -15.41781 31.20726 
1 1 1   22   40   13 o   67.917   20.962   18.866   10.840   42.498   19.156   7.7332   13.148   96.748   27.377   54.073   22.116 42.67553 35.19400 
1 1 1   22   40   14 o   33.667   15.821  -7.4708   9.4100 -11.4819   14.005  -4.1693   12.706   39.762   18.869   42.169   19.312 -2.407135 27.00029 
1 1 1   22   42    0 o  173.518   10.899  105.797   13.022   87.756   24.721  112.725   15.320  153.450   24.069  178.723   12.464 -25.27277 27.10450 
1 1 1   22   42    1 o  226.700   9.0593  179.292   14.214  198.049   26.049  171.338   16.962  235.736   16.061  220.893   11.131 14.84274 19.54112 
1 1 1   22   42    2 o  168.439   10.587   99.688   12.280  160.829   27.498   84.459   13.724  210.931   19.041  154.383   12.964 56.54836 23.03577 
1 1 1   22   42    3 o   83.513   20.492   26.185   11.755   29.746   24.209   25.086   13.447   90.492   31.512   81.601   22.884 8.891571 38.94452 
1 1 1   22   42    4 f  145.365   11.863   74.795   11.831   70.976   26.727   75.725   13.194  134.370   29.543  145.886   13.211 -11.51573 32.36238 
1 1 1   22   42    5 o   38.744   18.082 -10.3545   11.942   0.0000   0.0000 -10.3545   11.942  ?   ?    38.744   18.082 0.000000 18.08249 
1 1 1   22   42    6 o   76.126   19.559   21.918   10.360   46.054   22.303   15.277   11.699  107.102   29.259   65.461   21.929 41.64065 36.56433 
1 1 1   22   42    7 o   55.012   22.348   6.0132   13.311 -10.7073   21.381   16.596   17.010   54.389   24.961   70.697   26.185 -16.30730 36.17647 
1 1 1   22   42    8 f   64.494   23.175   14.284   13.176   18.208   16.329   6.9610   22.307   71.597   25.791   66.362   28.098 5.234833 38.14076 
1 1 1   22   42    9 o  108.658   15.353   43.553   11.225   51.932   15.811   35.040   15.937  116.311   20.384   93.320   24.400 22.99102 31.79442 
1 1 1   22   42   10 o  112.622   16.726   47.615   12.642   46.201   15.782   50.146   21.117  108.089   21.848  108.698   27.922 -0.6092377 35.45380 
1 1 1   22   42   11 o   44.975   19.202   1.7999   10.570  -3.5034   15.233   6.7236   14.678   48.071   21.670   55.797   23.149 -7.725288 31.70910 
1 1 1   22   42   12 o   76.475   20.597   23.837   11.146   27.083   19.239   22.197   13.674   78.870   28.039   73.022   23.676 5.848564 36.69796 
1 1 1   22   42   13 o  109.632   17.712   47.369   12.981   0.0000   0.0000   47.369   12.981  ?   ?   109.632   17.712 0.000000 17.71219 
1 1 1   22   42   14 o   69.066   19.203   20.105   9.5113   22.630   13.956   17.915   12.997   70.616   23.949   64.365   23.029 6.250450 33.22488 
1 1 1   22   44    0 o  237.589   9.0655  197.171   14.907  187.756   26.311  201.622   18.091  228.759   16.734  239.761   10.902 -11.00159 19.97239 
1 1 1   22   44    1 o  197.147   9.1100  135.791   12.430  155.854   24.946  129.164   14.337  207.916   17.498  191.601   10.856 16.31563 20.59220 
1 1 1   22   44    2 o   32.808   15.783 -15.0952   10.538 -38.3512   22.308  -8.4143   11.957   44.676   21.830   40.154   18.515 4.522060 28.62471 
1 1 1   22   44    3 o  105.536   16.004   40.587   11.323   29.971   25.583   43.173   12.627   90.524   32.317  108.441   17.414 -17.91687 36.71018 
1 1 1   22   44    4 f  246.756   12.337  215.035   21.069   0.0000   0.0000  215.035   21.069  ?   ?   246.756   12.337 0.000000 12.33682 
1 1 1   22   44    5 o  130.000   14.540   60.967   12.858   23.220   25.377   74.005   14.914   83.289   31.737  143.074   15.299 -59.78535 35.23191 
1 1 1   22   44    6 o  146.199   10.778   75.737   10.829   56.146   22.635   81.552   12.332  118.044   28.108  151.368   11.866 -33.32479 30.51005 
1 1 1   22   44    7 o  130.197   11.811   60.586   10.527   27.327   23.101   69.303   11.826   84.710   30.652  139.091   12.415 -54.38097 33.07124 
1 1 1   22   44    8 o   46.738   19.449   3.0766   10.406  -5.8878   21.151   5.9391   11.952   55.980   25.357   52.444   21.222 3.536182 33.06571 
1 1 1   22   44    9 o  239.539   8.2956  201.725   13.753  162.488   24.331  220.149   16.672  209.300   16.941  249.547   9.6530 -40.24666 19.49840 
1 1 1   22   44   10 o   92.810   17.656   33.099   10.927   24.986   16.718   39.151   14.438   77.995   26.214   98.854   21.698 -20.85836 34.02896 
1 1 1   22   44   11 o  107.356   15.328   43.411   11.066   25.520   16.348   58.539   15.033   77.639   25.923  123.034   18.203 -45.39584 31.67593 
1 1 1   22   44   12 o   43.031   19.607  -4.1745   12.883   0.0000   0.0000  -4.1745   12.883  ?   ?    43.031   19.607 0.000000 19.60712 
1 1 1   22   44   13 o   46.210   18.699   5.6810   9.2790   6.4288   13.751   5.0560   12.573   52.311   22.101   49.662   21.065 2.649361 30.53129 
1 1 1   22   46    0 o   42.966   18.767  -1.3469   10.559   7.4390   22.297  -3.8867   11.988   68.030   28.403   43.593   19.470 24.43697 34.43579 
1 1 1   22   46    1 o  180.293   10.311  114.446   12.812  115.415   24.322  114.073   15.073  176.880   20.232  179.384   12.214 -2.504272 23.63256 
1 1 1   22   46    2 o  107.651   15.558   42.204   11.256   49.610   23.592   40.021   12.807  110.993   29.997  103.754   18.514 7.238846 35.25067 
1 1 1   22   46    3 o  100.178   17.118   37.082   11.442   25.410   28.670   39.294   12.479   87.096   33.597  102.792   18.207 -15.69553 38.21369 
1 1 1   22   46    4 o  200.753   14.586  144.730   20.127  122.634   28.401  167.024   28.528  179.687   23.392  212.727   19.597 -33.04025 30.51563 
1 1 1   22   46    5 o   79.742   19.568   24.274   10.719   31.220   24.064   22.555   11.972   89.425   31.402   76.593   21.633 12.83271 38.13176 
1 1 1   22   46    6 o  112.138   13.656   45.590   10.380   44.698   22.572   45.829   11.690  103.631   29.847  111.711   15.540 -8.079788 33.65053 
1 1 1   22   46    7 o   90.208   16.664   30.538   10.021   13.117   21.239   35.526   11.365   69.613   28.248   97.081   17.561 -27.46763 33.26147 
1 1 1   22   46    8 o   58.306   20.818   11.820   10.616   5.2098   21.380   13.983   12.230   62.918   27.096   62.637   22.346 0.2805138 35.12192 
1 1 1   22   46    9 o   69.841   19.720   19.165   9.9505   57.854   22.987   10.245   11.038  115.489   28.845   56.061   21.029 59.42771 35.69600 
1 1 1   22   46   10 o   38.038   16.937  -1.9371   8.9987 -27.9219   20.515   4.2538   10.013   43.647   21.241   46.651   19.216 -3.003555 28.64300 
1 1 1   22   46   11 o   78.065   18.735   24.396   9.9932   0.0000   0.0000   24.396   9.9932  ?   ?    78.065   18.735 0.000000 18.73451 
1 1 1   22   46   12 o   93.968   18.273   35.432   11.456   28.195   23.790   37.616   13.072   77.399   30.393   95.304   20.431 -17.90528 36.62214 
1 1 1   22   48    0 o  242.561   7.8567  205.519   13.190  159.219   25.604  222.243   15.389  208.818   17.889  251.930   8.8257 -43.11281 19.94753 
1 1 1   22   48    1 o   73.938   20.385   20.784   10.768   31.893   22.603   17.523   12.248   90.333   30.480   68.960   22.410 21.37274 37.83155 
1 1 1   22   48    2 o  140.699   12.209   70.615   11.771   35.990   24.178   81.372   13.476   94.742   31.521  150.801   13.040 -56.05883 34.11177 
1 1 1   22   48    3 o   66.865   21.673   16.512   11.459 -26.0683   26.048   26.731   12.760   53.589   25.518   83.122   21.881 -29.53287 33.61477 
1 1 1   22   48    4 o   99.330   22.915   38.562   15.432   40.898   24.556   37.038   19.840   99.169   31.683   95.481   28.124 3.688217 42.36454 
1 1 1   22   48    5 o  218.634   10.891  169.157   16.481  155.366   27.104  177.247   20.759  203.949   19.437  222.082   13.571 -18.13280 23.70596 
1 1 1   22   48    6 o   67.969   20.488   17.723   10.436   25.502   23.612   15.835   11.635   82.069   30.761   65.286   21.869 16.78359 37.74228 
1 1 1   22   48    7 o  164.869   9.9411   96.524   11.291  125.073   24.165   88.551   12.770  181.544   19.540  157.054   11.835 24.49077 22.84437 
1 1 1   22   48    8 o   91.034   16.022   31.282   9.7261   35.390   22.496   30.338   10.786   90.054   30.407   88.621   18.195 1.433731 35.43541 
1 1 1   22   48    9 o   65.754   20.797   17.040   10.601   1.4649   22.493   21.488   12.020   60.175   26.788   72.855   21.993 -12.68064 34.65933 
1 1 1   22   48   10 o   79.827   17.484   25.013   9.3923 -15.4098   22.980   33.120   10.291   51.276   24.286   92.629   16.665 -41.35341 29.45396 
1 1 1   22   48   11 o   43.426   18.128   3.3845   9.0797 -13.3024   20.229   7.5942   10.161   48.109   22.786   50.237   19.819 -2.128735 30.19945 
1 1 1   22   48   12 o   26.395   12.980 -15.1749   8.2837   17.590   22.719 -20.1985   8.8961   66.993   28.361   25.559   12.723 41.43336 31.08378 
1 1 1   22   50    0 o  158.461   10.843   89.068   11.821  100.195   24.594   85.725   13.480  161.979   22.550  154.748   12.698 7.230789 25.87899 
1 1 1   22   50    1 o  134.120   12.543   64.491   11.508   78.000   24.078   60.491   13.101  140.610   25.689  128.921   14.961 11.68854 29.72784 
1 1 1   22   50    2 o  164.718   13.391   97.532   15.134   0.0000   0.0000   97.532   15.134  ?   ?   164.718   13.391 0.000000 13.39059 
1 1 1   22   50    3 o  150.118   11.737   80.476   12.097   63.707   24.881   85.667   13.844  123.805   29.463  154.344   13.083 -30.53827 32.23720 
1 1 1   22   50    4 o   89.852   18.509   30.779   11.128  -4.4278   25.075   39.413   12.417   61.590   27.780  102.093   18.243 -40.50248 33.23404 
1 1 1   22   50    5 o  103.684   21.485   42.071   14.911   70.049   25.085   26.784   18.543  129.352   28.764   81.712   27.607 47.63963 39.86839 
1 1 1   22   50    6 o   49.862   20.470   4.8062   11.316   0.0000   0.0000   4.8062   11.316  ?   ?    49.862   20.470 0.000000 20.47018 
1 1 1   22   50    7 o  135.818   11.473   66.428   10.684   44.629   23.091   72.365   12.051  100.025   30.548  141.318   12.448 -41.29344 32.98709 
1 1 1   22   50    8 o  101.560   14.252   38.368   9.7418   16.668   22.924   43.150   10.762   71.310   29.189  107.485   14.864 -36.17557 32.75590 
1 1 1   22   50    9 o   47.661   19.741   4.5037   10.649   21.405   23.852   0.2958   11.901   74.461   30.033   45.352   19.864 29.10904 36.00735 
1 1 1   22   50   10 o   49.911   19.343   7.7855   9.5378 -22.5854   25.570   12.694   10.280   50.710   24.441   57.714   20.498 -7.004696 31.89918 
1 1 1   22   50   11 o   99.493   14.214   37.801   9.5097   48.259   22.475   35.521   10.496   97.098   30.219   94.853   16.592 2.245277 34.47385 
1 1 1   22   52    0 o   47.006   19.947   1.9035   11.281   17.376   24.043  -2.4645   12.775   75.418   30.246   45.630   20.257 29.78780 36.40243 
1 1 1   22   52    1 o  158.877   12.393   90.565   13.520   0.0000   0.0000   90.565   13.520  ?   ?   158.877   12.393 0.000000 12.39291 
1 1 1   22   52    2 o  202.625   8.7411  144.345   12.259  147.073   24.180  143.402   14.222  199.092   17.733  201.128   10.250 -2.035370 20.48289 
1 1 1   22   52    3 o   43.142   18.956  -1.1954   10.915   18.737   21.436  -8.1724   12.682   74.347   28.947   41.041   18.975 33.30679 34.61180 
1 1 1   22   52    4 o  168.083   10.201  100.445   11.811   69.659   24.690  109.580   13.449  128.644   28.482  175.137   11.153 -46.49251 30.58782 
1 1 1   22   52    5 o   41.857   18.452  -1.3137   10.421  -8.8878   22.434   0.7705   11.768   55.143   25.404   46.293   20.019 8.849571 32.34363 
1 1 1   22   52    6 f   41.396   18.637  -3.4357   11.227   51.122   22.903 -20.6908   12.880  107.336   29.782   34.271   16.711 73.06447 34.15014 
1 1 1   22   52    7 o   69.028   19.893   18.951   10.024   33.702   23.360   15.622   11.097   86.782   30.892   63.552   21.357 23.22971 37.55573 
1 1 1   22   52    8 o  150.609   10.552   81.671   10.929   54.829   25.654   87.623   12.080  106.479   32.127  155.589   11.295 -49.11053 34.05505 
1 1 1   22   52    9 o   38.630   17.847  -6.0193   11.189   0.0000   0.0000  -6.0193   11.189  ?   ?    38.630   17.847 0.000000 17.84722 
1 1 1   22   52   10 o   76.842   19.090   24.375   10.107   14.234   25.741   26.223   10.990   66.966   29.275   79.149   20.042 -12.18287 35.47794 
1 1 1   22   54    0 o  102.985   19.082   40.727   13.101   0.0000   0.0000   40.727   13.101  ?   ?   102.985   19.082 0.000000 19.08243 
1 1 1   22   54    1 f   35.415   16.785 -11.4923   11.013 -33.0927   23.101  -5.1400   12.528   46.157   22.479   42.785   19.433 3.371418 29.71469 
1 1 1   22   54    2 o   75.675   25.959   22.631   16.399   4.8829   22.518   42.673   23.928   63.620   27.601   98.412   31.258 -34.79194 41.70049 
1 1 1   22   54    3 o  147.636   12.425   78.795   12.578   78.244   22.956   79.032   15.036  138.924   24.784  146.430   15.050 -7.505890 28.99561 
1 1 1   22   54    4 o   54.866   20.839   9.4759   10.919  -2.0454   23.870   12.524   12.279   60.178   27.127   60.203   22.258 -0.2500534E-01 35.08925 
1 1 1   22   54    5 o  157.781   11.755   89.897   12.745  112.293   24.895   81.942   14.836  168.428   21.872  148.950   14.578 19.47792 26.28530 
1 1 1   22   54    6 o   41.232   19.427 -11.6962   14.353 -35.3756   24.108   1.3065   17.864   45.853   22.466   54.755   24.148 -8.902576 32.98244 
1 1 1   22   54    7 o   72.081   20.121   21.069   10.421   0.2904   26.512   24.866   11.333   62.248   28.272   78.013   20.662 -15.76523 35.01741 
1 1 1   22   54    8 o   36.921   17.310  -8.3687   11.153   0.0000   0.0000  -8.3687   11.153  ?   ?    36.921   17.310 0.000000 17.31003 
1 1 1   22   54    9 o  104.986   15.435   42.566   10.881   31.654   25.601   44.972   12.020   79.533   31.434  106.989   16.786 -27.45544 35.63461 
1 1 1   22   56    0 o   63.182   23.951   13.592   14.405   21.507   23.244   8.6552   18.355   76.378   30.026   61.793   25.783 14.58571 39.57654 
1 1 1   22   56    1 o   72.392   21.502   20.901   11.558   33.595   23.316   16.766   13.308   87.758   30.903   66.484   23.352 21.27443 38.73388 
1 1 1   22   56    2 o   64.253   21.717   15.804   11.475   7.4049   24.198   18.240   13.034   65.996   28.623   68.325   23.145 -2.328323 36.80980 
1 1 1   22   56    3 o   62.954   21.124   15.202   10.856   16.429   21.587   14.787   12.560   70.493   28.522   63.138   22.633 7.355610 36.41136 
1 1 1   22   56    4 o   47.420   20.251   2.4431   11.760   25.556   23.077  -5.6658   13.669   78.733   30.202   43.857   20.065 34.87656 36.25939 
1 1 1   22   56    5 o   36.698   17.119  -7.7607   10.682 -64.2439   24.600   5.3659   11.859   39.229   19.754   50.391   20.849 -11.16219 28.72099 
1 1 1   22   56    6 o   37.934   17.467  -5.5714   10.587   22.039   24.844 -11.6980   11.703   74.650   30.452   36.087   17.162 38.56282 34.95483 
1 1 1   22   56    7 o  100.478   19.217   40.654   12.877   0.0000   0.0000   40.654   12.877  ?   ?   100.478   19.217 0.000000 19.21712 
1 1 1   22   56    8 o   95.490   17.143   36.203   10.913 -16.6927   24.555   49.223   12.183   50.847   24.365  112.425   16.118 -61.57817 29.21381 
1 1 1   22   58    0 o   52.406   20.877   7.4794   11.377   9.1951   23.128   6.9317   13.067   65.593   28.215   53.827   22.036 11.76558 35.80005 
1 1 1   22   58    1 o   93.433   18.108   34.018   11.287   14.083   23.401   40.063   12.885   69.203   29.011  100.966   19.140 -31.76311 34.75589 
1 1 1   22   58    2 o   42.264   18.620  -0.7315   10.596  -6.9951   22.668   1.0199   11.987   55.206   25.469   46.286   20.110 8.920151 32.45129 
1 1 1   22   58    3 f  111.981   16.412   47.854   12.343   32.068   22.172   54.943   14.858   84.115   30.079  118.538   18.732 -34.42292 35.43528 
1 1 1   22   58    4 o   77.706   21.162   24.916   11.688   13.649   20.817   30.104   14.125   66.147   27.516   84.154   23.402 -18.00738 36.12217 
1 1 1   22   58    5 o  107.115   15.768   43.945   11.340   64.683   23.543   37.680   12.940  117.978   29.030   96.261   20.073 21.71656 35.29405 
1 1 1   22   58    6 o   98.841   19.045   39.498   12.556   0.0000   0.0000   39.498   12.556  ?   ?    98.841   19.045 0.000000 19.04480 
1 1 1   22   60    0 o   60.186   24.190   11.479   15.415   5.7366   21.540   17.507   22.071   60.779   26.669   69.863   28.624 -9.084110 39.12265 
1 1 1   22   60    1 o   62.052   23.127   14.458   13.310   43.151   21.597  -3.1134   16.901   95.566   29.603   49.809   22.603 45.75714 37.24602 
1 1 1   22   60    2 o   50.731   20.848   6.2285   11.752   20.663   20.860  -0.4836   14.225   71.674   28.359   47.878   21.309 23.79603 35.47272 
1 1 1   22   60    3 o   79.066   19.549   25.553   10.637   38.107   20.967   21.202   12.344   89.186   29.338   70.914   22.443 18.27190 36.93836 
1 1 1   22   60    4 o   40.570   18.254  -2.2203   10.749   3.8127   20.722  -4.4415   12.574   57.678   25.691   42.000   19.226 15.67833 32.08866 
1 1 1   23    1    0 o  435.432   5.6955  656.505   17.164  644.848   24.078  668.550   24.475  431.424   8.0637  439.282   8.0502 -7.858063 11.39423 
1 1 1   23    1    1 o  656.905   6.0308  1494.29   27.419  1491.84   38.787  1496.74   38.766  656.151   8.5410  657.230   8.5223 -1.078979 12.06558 
1 1 1   23    1    2 o  204.527   7.7324  144.918   10.946  150.759   15.664  139.344   15.301  208.212   10.908  200.134   11.090 8.077240 15.55535 
1 1 1   23    1    3 o  211.714   7.5569  155.281   11.073  148.971   15.811  161.354   15.512  206.945   11.079  215.711   10.390 -8.765259 15.18917 
1 1 1   23    1    4 o  210.668   7.6835  153.769   11.203  143.554   15.807  164.077   15.880  203.097   11.290  217.499   10.549 -14.40173 15.45144 
1 1 1   23    1    5 o  325.066   6.9266  366.074   15.584  370.049   26.434  363.957   19.293  326.494   11.698  324.028   8.6028 2.465759 14.52060 
1 1 1   23    1    6 o  239.273   7.3208  198.404   12.124  195.274   16.911  201.712   17.389  237.215   10.301  241.085   10.422 -3.870743 14.65294 
1 1 1   23    1    7 o  247.588   8.6396  212.621   14.805  205.712   17.488  230.098   27.814  243.408   10.381  256.406   15.749 -12.99806 18.86271 
1 1 1   23    1    8 o   82.736   23.826   24.735   14.384   13.083   26.123   29.805   17.231   79.812   31.686   90.613   26.072 -10.80157 41.03388 
1 1 1   23    1    9 f  485.911   7.0054  818.868   23.559  842.439   42.690  808.544   28.251  491.666   12.545  482.596   8.4581 9.070129 15.13017 
1 1 1   23    1   10 o  149.065   12.335   78.097   12.612   78.845   17.712   77.328   17.962  148.631   17.557  147.055   18.025 1.576324 25.16289 
1 1 1   23    1   11 o  238.956   8.3908  198.746   13.877  203.491   19.810  194.173   19.446  241.095   11.872  235.191   11.986 5.903564 16.87007 
1 1 1   23    1   12 o  189.779   9.7113  126.289   12.713  130.015   17.989  122.572   17.968  191.353   13.673  185.621   14.091 5.732071 19.63476 
1 1 1   23    1   13 o  302.738   7.8982  320.110   16.549  341.951   28.289  308.747   20.405  310.362   13.170  296.519   9.9427 13.84259 16.50136 
1 1 1   23    1   14 o  109.447   18.681   45.204   13.643   31.711   16.713   72.146   23.617   88.814   25.714  134.090   26.388 -45.27666 36.84447 
1 1 1   23    1   15 o   53.670   20.848   8.2714   11.099   14.528   15.485   1.6621   15.917   65.386   24.821   53.409   23.188 11.97777 33.96774 
1 1 1   23    1   16 o   36.781   17.330  -9.9558   11.424  -2.8321   16.173 -17.0486   16.138   49.520   22.325   41.380   19.809 8.139523 29.84619 
1 1 1   23    1   17 o   94.595   24.941   39.821   16.562   39.821   16.562   0.0000   0.0000   94.595   24.941  ?   ?  0.000000 24.94124 
1 1 1   23    1   18 o  100.301   18.531   41.425   12.390   42.369   15.530   39.771   20.551   96.803   23.432   87.079   29.065 9.723465 37.33387 
1 1 1   23    3    0 o  896.411   7.0803  2783.23   43.927  2722.90   60.956  2848.41   63.359  886.258   9.9376  906.428   10.099 -20.16931 14.16874 
1 1 1   23    3    1 o  387.813   5.6756  520.766   15.234  509.444   21.367  532.471   21.726  383.462   8.0509  392.034   8.0070 -8.572845 11.35469 
1 1 1   23    3    2 o  222.160   7.3548  170.966   11.309  183.061   16.186  159.431   15.806  229.780   10.178  214.418   10.651 15.36189 14.73208 
1 1 1   23    3    3 o  569.356   8.1268  1123.21   32.024   0.0000   0.0000  1123.21   32.024  ?   ?   569.356   8.1268 0.000000 8.126766 
1 1 1   23    3    4 o  181.503   10.122  114.598   12.665  127.025   15.848   92.634   21.069  190.926   12.055  161.892   19.176 29.03389 22.65067 
1 1 1   23    3    5 o   51.809   21.005   3.8712   11.734   8.3130   14.329  -5.1707   20.444   61.094   23.700   58.958   25.923 2.135696 35.12425 
1 1 1   23    3    6 o  371.692   6.9042  478.701   17.761  482.700   21.575  470.293   31.287  373.131   8.3543  367.908   12.287 5.223267 14.85818 
1 1 1   23    3    7 o  289.263   6.8599  289.980   13.734  303.043   19.593  277.361   19.256  295.501   9.5799  282.680   9.8425 12.82053 13.73496 
1 1 1   23    3    8 o   75.252   21.306   20.447   11.599   7.6738   16.273   33.639   16.537   62.932   25.001   95.742   24.768 -32.80992 35.19247 
1 1 1   23    3    9 o  168.595   12.953   99.679   14.999   90.829   26.664  103.775   18.141  157.959   25.239  171.577   15.442 -13.61749 29.58820 
1 1 1   23    3   10 o  172.419   12.927  104.461   15.314   75.951   27.657  117.067   18.391  142.325   29.060  182.191   14.710 -39.86588 32.57060 
1 1 1   23    3   11 o   83.238   21.203   25.805   12.249   38.135   17.460   13.855   17.189  100.458   25.165   69.589   26.214 30.86941 36.33782 
1 1 1   23    3   12 o   44.098   19.961  -6.1829   13.079   0.7146   21.737 -10.0973   16.376   62.865   27.196   47.544   21.829 15.32066 34.87353 
1 1 1   23    3   13 o  180.522   10.077  114.831   12.540  105.215   17.879  124.143   17.594  170.788   15.287  186.318   13.741 -15.53017 20.55487 
1 1 1   23    3   14 o   50.577   20.712   4.7222   11.549   16.861   16.286  -7.5584   16.381   69.698   25.658   48.185   22.015 21.51297 33.80811 
1 1 1   23    3   15 o   57.021   22.434   9.2561   12.984   2.8275   15.685   23.254   23.145   54.030   23.238   78.421   30.205 -24.39116 38.10953 
1 1 1   23    3   16 o   92.807   21.084   34.943   13.234   63.854   21.620   17.617   16.737  121.798   26.408   68.185   25.824 53.61280 36.93561 
1 1 1   23    3   17 o   72.791   23.087   22.807   13.056   21.030   15.855   26.551   23.012   70.074   25.388   76.292   29.913 -6.218628 39.23451 
1 1 1   23    3   18 o   70.265   22.924   22.305   12.811   43.912   21.173   9.8262   16.090   91.109   29.453   56.514   23.893 34.59524 37.92580 
1 1 1   23    5    0 o  401.256   5.8551  557.514   16.261  562.963   22.960  552.030   23.032  403.091   8.2297  399.151   8.3373 3.939728 11.71487 
1 1 1   23    5    1 o  447.799   5.7250  694.337   17.743  680.242   24.794  709.133   25.402  443.100   8.0849  452.410   8.1127 -9.309998 11.45340 
1 1 1   23    5    2 o  728.557   6.3141  1838.20   31.838  1824.71   44.754  1852.03   45.303  725.612   8.9115  731.019   8.9542 -5.406921 12.63297 
1 1 1   23    5    3 o  578.499   6.6958  1159.12   26.809  1145.78   32.726  1186.34   46.746  575.034   8.2228  584.752   11.550 -9.717468 14.17830 
1 1 1   23    5    4 o  186.384   9.9876  120.812   12.837  125.621   15.388  109.805   23.280  189.890   11.767  176.399   19.388 13.49121 22.67902 
1 1 1   23    5    5 o  369.136   6.8089  472.056   17.396  479.717   21.227  456.390   30.355  372.024   8.2440  362.532   12.098 9.492126 14.63969 
1 1 1   23    5    6 o  403.811   8.2738  565.339   23.124   0.0000   0.0000  565.339   23.124  ?   ?   403.811   8.2738 0.000000 8.273826 
1 1 1   23    5    7 o  322.391   6.4638  360.152   14.423  334.560   20.384  385.811   20.410  310.489   9.4854  333.486   8.8427 -22.99704 12.96792 
1 1 1   23    5    8 o  112.646   15.417   45.102   11.704   40.242   16.598   49.910   16.508  104.768   23.472  117.419   21.088 -12.65147 31.55394 
1 1 1   23    5    9 o  329.516   6.7787  376.547   15.460  365.868   21.411  388.178   22.346  324.476   9.5339  334.204   9.6606 -9.728333 13.57287 
1 1 1   23    5   10 o  246.500   9.4900  211.422   16.191  207.658   28.941  213.137   19.533  242.161   17.383  247.197   11.417 -5.035294 20.79718 
1 1 1   23    5   11 o  172.370   15.240  105.620   17.994   0.0000   0.0000  105.620   17.994  ?   ?   172.370   15.240 0.000000 15.24046 
1 1 1   23    5   12 o  142.245   12.437   71.793   12.121   64.988   16.782   79.214   17.525  133.210   18.718  147.775   17.473 -14.56516 25.60653 
1 1 1   23    5   13 o  236.073   8.1909  194.829   13.383  165.644   18.944  223.905   18.909  215.784   12.741  252.122   10.836 -36.33775 16.72604 
1 1 1   23    5   14 f   98.988   17.623   36.845   11.631   53.696   16.665   20.843   16.240  118.137   21.159   74.418   25.815 43.71946 33.37883 
1 1 1   23    5   15 o  141.072   12.434   71.998   12.017   74.365   17.069   69.672   16.920  140.190   18.008  135.293   18.559 4.896576 25.85945 
1 1 1   23    5   16 o   78.122   23.210   25.488   13.466   31.282   15.886   10.698   25.383   85.321   25.175   67.795   29.359 17.52642 38.67455 
1 1 1   23    5   17 o   39.622   18.111  -4.1942   11.102 -10.1190   16.125   1.1455   15.308   44.027   20.697   50.123   22.216 -6.096195 30.36325 
1 1 1   23    5   18 o   34.629   16.710 -13.9249   12.039 -11.6574   14.897 -18.1951   20.443   40.451   19.272   44.821   21.665 -4.370216 28.99627 
1 1 1   23    7    0 o  365.946   6.8148  463.815   17.260  476.639   21.226  438.780   29.656  370.897   8.2686  355.616   12.049 15.28119 14.61340 
1 1 1   23    7    1 o  308.879   7.2118  330.475   15.417  320.904   18.759  350.390   27.062  304.298   8.9072  317.762   12.305 -13.46365 15.19036 
1 1 1   23    7    2 o  194.344   11.737  131.518   15.714  115.122   22.521  147.073   21.936  180.928   18.233  205.105   15.569 -24.17715 23.97570 
1 1 1   23    7    3 o  244.383   8.1712  206.949   13.821  225.773   16.836  168.049   24.202  255.195   9.5321  219.229   16.063 35.96663 18.67809 
1 1 1   23    7    4 o  189.551   10.107  124.962   13.211  139.210   16.141   96.049   22.994  199.932   11.716  164.594   20.638 35.33858 23.73190 
1 1 1   23    7    5 o  227.189   7.5273  178.862   11.836  187.539   17.193  171.045   16.318  232.473   10.686  222.018   10.620 10.45485 15.06516 
1 1 1   23    7    6 o  358.098   7.0334  444.374   17.432  439.046   21.151  455.659   30.781  355.825   8.5884  362.107   12.282 -6.281921 14.98681 
1 1 1   23    7    7 o  265.866   7.2787  245.029   13.394  248.588   19.076  241.569   18.809  267.560   10.301  263.755   10.304 3.804535 14.56997 
1 1 1   23    7    8 o  121.599   14.798   52.340   12.198   43.765   17.490   60.459   17.019  109.246   23.805  129.851   19.543 -20.60453 30.79935 
1 1 1   23    7    9 o  125.088   14.544   55.403   12.356   53.942   17.448   56.873   17.501  121.841   21.476  125.326   20.914 -3.485382 29.97647 
1 1 1   23    7   10 o  200.138   10.603  139.979   14.635  156.878   23.635  129.468   18.639  210.548   16.347  191.715   14.147 18.83270 21.61865 
1 1 1   23    7   11 o  164.549   13.368   95.772   15.092   63.171   27.135  110.374   18.160  127.458   31.047  176.241   15.032 -48.78277 34.49480 
1 1 1   23    7   12 o  216.449   10.331  164.197   15.477  195.756   28.278  150.702   18.492  232.935   17.672  206.217   13.023 26.71887 21.95243 
1 1 1   23    7   13 o   91.810   19.401   31.882   11.942   26.709   16.976   36.951   16.803   83.134   26.320   96.973   24.905 -13.83896 36.23558 
1 1 1   23    7   14 o  135.997   13.192   66.770   12.260   83.571   17.583   50.870   17.105  150.224   17.222  114.133   22.454 36.09079 28.29783 
1 1 1   23    7   15 o  105.324   19.099   42.867   13.409   58.244   23.331   35.282   16.386  115.899   29.122   92.207   25.033 23.69149 38.40240 
1 1 1   23    7   16 o   50.230   21.458   3.4164   13.212   12.279   15.976 -15.7610   23.500   61.885   24.713   51.885   24.570 10.00041 34.84842 
1 1 1   23    7   17 o   51.532   20.552   8.0236   11.036   13.067   15.859   3.2873   15.369   61.086   24.541   51.794   22.632 9.291698 33.38351 
1 1 1   23    7   18 o   41.917   18.651   0.0258   10.890  -3.0405   15.414   3.0810   15.386   45.990   21.139   50.199   22.260 -4.208618 30.69837 
1 1 1   23    9    0 o  317.290   7.3110  348.728   16.055  332.146   19.519  383.415   28.230  309.570   9.1100  332.399   12.271 -22.82825 15.28295 
1 1 1   23    9    1 o  348.713   6.9031  421.182   16.661  425.111   20.602  413.756   28.323  350.256   8.4986  345.327   11.850 4.929047 14.58279 
1 1 1   23    9    2 o   54.994   21.615   6.0756   12.043   16.132   14.885 -12.9805   20.490   71.424   24.719   54.224   24.715 17.19959 34.95492 
1 1 1   23    9    3 o  454.529   5.6711  715.409   17.840  705.661   24.952  725.602   25.517  451.276   7.9890  457.603   8.0569 -6.326752 11.34626 
1 1 1   23    9    4 o  264.587   6.7932  242.512   12.440  237.201   17.860  247.517   17.338  261.525   9.8671  267.179   9.3758 -5.654541 13.61122 
1 1 1   23    9    5 o  114.654   13.753   46.354   10.695   44.492   15.519   48.037   14.761  111.005   20.968  115.809   19.081 -4.804001 28.35010 
1 1 1   23    9    6 o  293.905   6.7236  299.315   13.677  305.739   19.633  293.258   19.063  296.846   9.5562  290.730   9.4739 6.115784 13.45647 
1 1 1   23    9    7 o  227.030   8.2367  178.771   12.942  175.695   18.634  181.639   17.990  224.462   12.038  228.609   11.370 -4.147156 16.55887 
1 1 1   23    9    8 o  192.428   9.5851  128.606   12.766  129.950   18.339  127.343   17.781  192.565   13.852  190.664   13.563 1.901230 19.38647 
1 1 1   23    9    9 o   46.849   20.825  -4.6303   13.543   26.054   22.827 -21.2960   16.823   88.380   30.609   42.974   20.476 45.40575 36.82668 
1 1 1   23    9   10 o  146.936   12.321   75.977   12.414   52.622   17.383  100.287   17.735  119.752   21.775  168.251   15.401 -48.49837 26.67101 
1 1 1   23    9   11 o  136.207   12.868   65.729   11.987   82.087   16.690   48.301   17.227  151.408   16.177  113.696   22.687 37.71155 27.86408 
1 1 1   23    9   12 o  195.003   9.6470  133.104   13.020  114.222   18.309  152.423   18.519  178.658   14.944  207.348   12.970 -28.68919 19.78731 
1 1 1   23    9   13 o  205.411   10.780  149.109   15.272  133.610   27.473  156.040   18.372  188.764   21.407  209.290   12.744 -20.52567 24.91339 
1 1 1   23    9   14 o   53.995   21.234   7.6271   11.629   17.415   16.501  -2.0301   16.391   70.241   25.832   51.838   22.982 18.40323 34.57518 
1 1 1   23    9   15 o   76.604   25.675   23.786   16.038   23.786   16.038   0.0000   0.0000   76.604   25.675  ?   ?  0.000000 25.67507 
1 1 1   23    9   16 o   41.407   18.515  -2.1151   10.874  -5.4198   15.730   0.9096   15.049   46.970   21.503   50.504   22.223 -3.534489 30.92289 
1 1 1   23    9   17 o   56.571   22.438   10.779   13.088   14.126   15.765   3.3571   23.477   61.978   24.612   59.488   26.851 2.490742 36.42452 
1 1 1   23    9   18 o   40.868   18.857  -4.3155   12.430 -15.8439   21.660   1.3457   15.178   46.833   22.554   48.554   21.781 -1.720448 31.35434 
1 1 1   23   11    0 o  484.500   6.7004  813.027   22.468  793.346   27.169  855.610   39.964  478.499   8.2037  496.602   11.627 -18.10318 14.23009 
1 1 1   23   11    1 o  444.266   6.6713  683.606   20.513  673.171   34.642  689.240   25.455  440.504   11.363  445.993   8.2466 -5.488403 14.03983 
1 1 1   23   11    2 o  746.763   6.4097  1931.38   33.128  1916.85   46.664  1946.15   47.038  743.643   9.0666  749.304   9.0701 -5.661072 12.82458 
1 1 1   23   11    3 o  319.478   6.1714  353.492   13.646  356.536   19.564  350.609   19.043  320.715   8.8138  318.048   8.6510 2.667267 12.34999 
1 1 1   23   11    4 o  270.149   6.8353  252.830   12.780  254.236   18.333  251.501   17.826  270.744   9.7835  269.298   9.5641 1.446442 13.68169 
1 1 1   23   11    5 o  241.519   7.4822  202.157   12.507  196.083   18.034  207.785   17.361  237.664   10.964  244.701   10.251 -7.036758 15.00927 
1 1 1   23   11    6 o  145.501   11.461   74.001   11.448   78.612   16.349   69.566   16.035  149.299   16.075  140.204   16.863 9.095535 23.29752 
1 1 1   23   11    7 o  282.243   7.2314  276.174   14.126  303.890   20.606  251.602   19.403  295.816   10.065  269.132   10.416 26.68353 14.48452 
1 1 1   23   11    8 o  213.520   9.9714  158.418   14.736  155.805   24.907  159.825   18.278  210.212   17.272  213.875   12.401 -3.662811 21.26290 
1 1 1   23   11    9 o  314.979   9.8637  345.061   21.503   0.0000   0.0000  345.061   21.503  ?   ?   314.979   9.8637 0.000000 9.863684 
1 1 1   23   11   10 o  302.114   7.1024  316.975   14.851  316.255   21.240  317.663   20.773  301.209   10.188  301.931   9.9406 -0.7221069 14.23443 
1 1 1   23   11   11 o  301.932   7.0721  317.002   14.779  320.263   20.576  313.526   21.240  302.806   9.8178  299.481   10.247 3.325562 14.19153 
1 1 1   23   11   12 o   30.214   14.910 -23.8651   11.256 -42.0199   15.793  -5.1204   16.047   32.943   16.483   50.102   22.441 -17.15953 27.84400 
1 1 1   23   11   13 o  135.762   12.823   66.045   11.907   68.347   16.861   63.756   16.816  135.758   18.421  130.704   19.157 5.053726 26.57681 
1 1 1   23   11   14 o  105.134   23.353   43.924   16.551   55.122   23.942   33.673   22.906  113.791   29.980   90.040   30.682 23.75193 42.89758 
1 1 1   23   11   15 o  104.649   15.986   41.182   11.212   48.951   15.933   33.562   15.779  110.978   21.520   89.827   24.640 21.15046 32.71423 
1 1 1   23   11   16 o   91.393   18.108   32.873   11.049   19.145   15.833   45.905   15.427   69.087   25.319  105.789   21.795 -36.70199 33.40739 
1 1 1   23   11   17 o   68.206   22.826   19.930   12.676  -5.0195   21.307   33.598   15.770   52.804   24.478   86.025   24.998 -33.22110 34.98679 
1 1 1   23   11   18 o   58.560   22.534   14.116   12.873   0.7570   15.378   45.390   23.530   48.195   21.745   88.720   31.057 -40.52559 37.91280 
1 1 1   23   13    0 o  343.384   6.3562  408.371   15.106  383.474   21.445  432.891   21.282  332.600   9.3161  353.419   8.7006 -20.81985 12.74713 
1 1 1   23   13    1 o  667.295   7.0946  1542.49   32.766  1516.53   39.920  1596.10   57.361  661.484   8.7195  678.115   12.222 -16.63147 15.01338 
1 1 1   23   13    2 o  400.195   5.8362  554.626   16.165  538.570   22.668  571.240   23.059  394.215   8.3082  406.003   8.2060 -11.78760 11.67749 
1 1 1   23   13    3 o  328.882   6.1930  374.629   14.097  355.596   20.456  391.844   19.454  320.250   9.2289  336.234   8.3595 -15.98438 12.45208 
1 1 1   23   13    4 o  221.079   7.8610  169.397   12.028  183.721   17.671  157.030   16.419  230.063   11.098  212.396   11.209 17.66692 15.77352 
1 1 1   23   13    5 o   97.628   17.115   34.204   11.143   46.456   16.404   23.707   15.184  113.293   21.710   81.761   24.728 31.53174 32.90590 
1 1 1   23   13    6 o   46.306   19.783  -0.2388   11.231 -15.5111   16.248   13.734   15.541   45.061   21.051   68.843   25.106 -23.78172 32.76426 
1 1 1   23   13    7 o  250.721   8.8087  218.149   15.286  194.049   25.756  231.253   18.992  235.194   15.916  257.975   10.637 -22.78082 19.14326 
1 1 1   23   13    8 f   63.689   22.405   12.721   12.253   27.441   18.021   0.0648   16.710   87.565   27.028   56.456   24.125 31.10913 36.22849 
1 1 1   23   13    9 o  146.333   12.641   75.297   12.677   85.579   18.436   66.074   17.460  155.021   17.488  135.561   19.142 19.45963 25.92822 
1 1 1   23   13   10 o   54.078   21.632   5.5970   12.264   23.874   17.646 -11.4806   17.057   81.957   26.912   48.383   22.238 33.57381 34.91158 
1 1 1   23   13   11 o   84.544   20.722   26.801   12.031   24.686   17.095   28.877   16.935   81.975   26.461   87.440   26.040 -5.464996 37.12512 
1 1 1   23   13   12 o  199.613   9.3740  139.514   12.951  138.934   18.022  140.132   18.623  197.641   13.252  198.333   13.650 -0.6913910 19.02419 
1 1 1   23   13   13 o  172.979   11.938  106.548   14.205  112.483   17.167   93.659   25.297  176.764   14.151  155.516   24.298 21.24716 28.11793 
1 1 1   23   13   14 o  104.246   16.823   40.726   11.725   19.347   16.781   61.120   16.389   72.331   26.132  126.784   19.285 -54.45308 32.47799 
1 1 1   23   13   15 o  201.127   10.287  144.384   14.271  142.634   25.654  145.168   17.174  192.542   19.521  200.269   12.452 -7.727768 23.15452 
1 1 1   23   13   16 o   88.415   18.751   31.156   11.119   19.219   16.501   41.082   15.047   69.164   25.756   99.258   22.432 -30.09379 34.15513 
1 1 1   23   13   17 o   65.044   21.402   17.810   11.158   26.126   15.981   9.9011   15.585   75.541   25.628   57.324   23.824 18.21694 34.99150 
1 1 1   23   13   18 o   41.684   18.597   0.0904   10.905 -30.8832   15.374   31.450   15.470   33.329   16.612   80.045   25.097 -46.71550 30.09701 
1 1 1   23   15    0 o  283.242   9.8811  278.199   19.370   0.0000   0.0000  278.199   19.370  ?   ?   283.242   9.8811 0.000000 9.881116 
1 1 1   23   15    1 o  392.111   5.9776  532.473   16.222  516.809   22.561  549.241   23.342  386.153   8.4416  398.083   8.4721 -11.92996 11.95979 
1 1 1   23   15    2 o  591.838   5.9065  1213.09   24.194  1182.88   33.781  1244.89   34.667  584.195   8.3549  599.312   8.3576 -15.11658 11.81754 
1 1 1   23   15    3 o  826.030   6.7955  2363.85   38.850  2363.49   55.181  2364.20   54.707  825.500   9.6582  825.641   9.5735 -0.1408081 13.59897 
1 1 1   23   15    4 o  189.525   9.0503  124.570   11.871  125.935   17.355  123.369   16.275  189.867   13.291  188.005   12.580 1.861908 18.30009 
1 1 1   23   15    5 o   44.344   19.222  -1.5284   10.901  -8.3946   15.931   4.5183   14.950   48.890   22.088   57.884   23.619 -8.994034 32.33778 
1 1 1   23   15    6 o  183.796   11.224  117.823   14.209  144.146   25.146  105.477   17.222  202.197   18.163  173.388   14.484 28.80977 23.23045 
1 1 1   23   15    7 o  120.955   15.141   51.851   12.398   24.377   18.040   76.439   17.067   83.847   27.195  146.836   17.114 -62.98919 32.13240 
1 1 1   23   15    8 o  173.720   10.593  105.365   12.676  108.746   18.700  102.491   17.241  175.620   15.545  170.617   14.746 5.002167 21.42624 
1 1 1   23   15    9 o  297.573   8.2126  307.669   16.914  321.659   29.379  300.734   20.687  303.101   14.005  293.884   10.170 9.217010 17.30805 
1 1 1   23   15   10 o  366.493   6.4831  466.406   16.445  471.302   23.676  461.842   22.858  367.747   9.3021  364.100   9.0709 3.647095 12.99269 
1 1 1   23   15   11 o  217.093   8.8688  164.501   13.326  164.758   18.918  164.248   18.773  215.938   12.714  215.631   12.634 0.3067474 17.92427 
1 1 1   23   15   12 o   47.986   20.962  -1.2514   13.177  -2.2452   16.104   0.7624   22.923   52.120   22.959   63.720   27.747 -11.59964 36.01414 
1 1 1   23   15   13 o  235.055   8.3102  193.574   13.519  174.715   19.171  212.232   19.068  221.244   12.572  244.874   11.251 -23.63077 16.87094 
1 1 1   23   15   14 o   69.484   21.360   18.744   11.268   34.498   16.107   3.6440   15.770   91.968   24.757   55.140   23.496 36.82756 34.13165 
1 1 1   23   15   15 o   53.877   20.717   8.9764   10.875   9.8140   15.560   8.1765   15.205   59.677   24.191   57.703   23.713 1.974644 33.87508 
1 1 1   23   15   16 o  110.444   20.540   49.450   15.123   0.0000   0.0000   49.450   15.123  ?   ?   110.444   20.540 0.000000 20.54027 
1 1 1   23   15   17 o  150.043   11.278   82.681   11.627   71.664   16.240   94.266   16.653  133.954   17.969  156.293   15.603 -22.33844 23.79852 
1 1 1   23   15   18 o   47.741   19.765   6.6183   10.668   0.4586   15.332   12.400   14.854   47.474   21.538   56.923   23.421 -9.448513 31.81836 
1 1 1   23   17    0 o  202.766   9.1213  142.546   12.801  162.508   17.743  120.879   18.485  216.030   11.913  185.900   14.481 30.12950 18.75183 
1 1 1   23   17    1 o  140.853   11.731   69.347   11.332   44.438   16.357   92.336   15.715  110.788   22.107  162.368   14.125 -51.57986 26.23434 
1 1 1   23   17    2 o  311.625   6.6411  336.412   14.324  334.743   20.494  338.007   20.027  310.675   9.5310  312.205   9.2684 -1.529694 13.29451 
1 1 1   23   17    3 o  169.064   10.174   99.532   11.849   82.439   16.574  117.404   16.948  153.043   15.878  183.278   13.455 -30.23460 20.81188 
1 1 1   23   17    4 o  409.231   5.9803  580.125   16.938  567.430   24.442  591.856   23.495  404.499   8.7305  413.164   8.2163 -8.664917 11.98869 
1 1 1   23   17    5 o  511.701   6.7473  907.400   23.896  908.293   41.831  906.968   29.114  511.200   11.823  511.403   8.2254 -0.2022400 14.40283 
1 1 1   23   17    6 o  201.815   9.3893  141.387   13.115  121.956   19.376  157.816   17.817  186.371   15.152  212.654   12.156 -26.28296 19.42563 
1 1 1   23   17    7 o  383.929   6.4024  510.956   17.013  517.242   24.611  505.203   23.544  385.935   9.2136  381.459   8.9177 4.475800 12.82254 
1 1 1   23   17    8 o   81.305   20.860   24.255   11.796   19.380   17.137   28.644   16.262   76.749   26.525   88.430   25.294 -11.68087 36.65229 
1 1 1   23   17    9 o  157.872   11.986   87.554   12.999   76.849   18.023   99.162   18.766  146.384   18.181  167.028   16.447 -20.64418 24.51599 
1 1 1   23   17   10 o  113.994   15.758   46.767   12.100   73.512   17.347   21.418   16.888  142.690   17.963   78.096   26.346 64.59415 31.88692 
1 1 1   23   17   11 o   85.636   20.697   27.649   12.131   37.484   16.960   17.347   17.358   98.719   24.843   72.833   26.537 25.88629 36.35111 
1 1 1   23   17   12 o  104.158   17.255   40.105   12.004   39.828   17.160   40.370   16.797  100.903   24.758  101.808   24.195 -0.9041519 34.61727 
1 1 1   23   17   13 o   99.739   17.736   37.363   11.794   38.361   17.148   36.467   16.248   97.787   25.184   95.632   24.453 2.155556 35.10233 
1 1 1   23   17   14 o  119.113   13.935   51.943   11.271   55.208   16.393   49.017   15.521  119.231   20.611  112.113   20.767 7.118118 29.25890 
1 1 1   23   17   15 o   74.902   22.379   22.940   12.492   3.5439   21.609   32.676   15.310   60.454   26.615   88.092   24.314 -27.63737 36.04910 
1 1 1   23   17   16 o  143.319   11.994   75.284   11.788   73.008   16.766   77.510   16.577  136.385   18.217  141.356   17.306 -4.970856 25.12667 
1 1 1   23   17   17 o   51.586   21.276   7.5304   12.295 -14.6244   20.987   19.107   15.171   47.380   22.656   66.309   24.696 -18.92887 33.51401 
1 1 1   23   17   18 o   78.144   20.145   27.149   10.964   39.454   15.671   15.348   15.346   89.804   24.522   59.622   24.075 30.18217 34.36491 
1 1 1   23   19    0 o  362.915   6.4756  456.252   16.265  417.167   22.890  496.115   23.117  346.815   9.5361  378.270   8.8298 -31.45584 12.99620 
1 1 1   23   19    1 o  276.142   7.1842  264.223   13.731  270.629   19.458  257.870   19.378  279.296   10.066  272.619   10.270 6.677307 14.38055 
1 1 1   23   19    2 o  220.296   8.1616  168.234   12.444  163.555   17.664  172.845   17.534  216.686   11.823  222.821   11.408 -6.135544 16.42912 
1 1 1   23   19    3 o  293.358   6.9063  298.207   14.022  298.973   20.014  297.469   19.652  293.533   9.8515  292.806   9.6972 0.7269592 13.82342 
1 1 1   23   19    4 o  405.470   6.9137  569.762   19.402  578.049   33.855  565.709   23.676  407.817   11.995  403.880   8.4697 3.937134 14.68353 
1 1 1   23   19    5 o  441.466   6.1531  675.294   18.800  641.300   26.975  707.404   26.217  429.891   9.0661  451.594   8.3879 -21.70233 12.35118 
1 1 1   23   19    6 o  219.141   8.8236  166.678   13.383  195.810   19.607  141.270   18.312  236.925   11.996  200.949   13.240 35.97589 17.86667 
1 1 1   23   19    7 o  211.578   9.2043  155.501   13.478  155.643   19.478  155.370   18.671  210.811   13.419  210.726   12.863 0.8439636E-01 18.58880 
1 1 1   23   19    8 o   87.900   20.377   28.409   12.155   23.457   17.250   33.292   17.130   81.766   26.597   94.762   25.540 -12.99548 36.87433 
1 1 1   23   19    9 o   83.944   20.819   26.121   12.036   35.911   17.508   17.347   16.575   97.763   25.580   73.263   26.027 24.50063 36.49306 
1 1 1   23   19   10 o  157.308   13.136   87.650   14.171   63.659   23.380  101.583   17.817  129.040   27.044  168.726   15.428 -39.68678 31.13494 
1 1 1   23   19   11 o   65.934   23.620   14.348   13.677   12.023   16.636   19.195   24.022   66.097   25.566   79.619   30.742 -13.52242 39.98398 
1 1 1   23   19   12 o  111.222   15.233   45.109   11.418   50.160   16.309   40.254   15.991  114.828   21.306  101.811   23.210 13.01733 31.50627 
1 1 1   23   19   13 o  153.191   11.338   83.710   11.936   85.796   17.374   81.845   16.425  152.495   16.736  149.215   16.163 3.280090 23.26707 
1 1 1   23   19   14 o   68.508   22.725   18.192   12.570   36.039   22.281   9.8585   15.225   91.103   30.257   60.006   24.067 31.09637 38.66158 
1 1 1   23   19   15 o   49.606   20.367   5.4026   11.204   6.6677   16.139   4.2255   15.567   56.884   23.982   54.111   23.208 2.773651 33.37330 
1 1 1   23   19   16 o   62.587   21.153   15.844   10.887   26.711   15.388   4.9540   15.405   77.587   25.112   53.438   23.007 24.14885 34.05725 
1 1 1   23   19   17 o   52.491   20.431   9.7190   10.675   20.371   15.221  -0.5922   14.976   67.396   24.806   47.403   21.416 19.99355 32.77180 
1 1 1   23   21    0 o  296.612   7.9196  304.967   16.258  312.098   28.544  301.543   19.780  299.551   13.768  294.818   9.6938 4.732910 16.83818 
1 1 1   23   21    1 o  386.638   6.1813  517.854   16.541  494.115   22.814  544.161   24.017  377.476   8.7325  396.129   8.7600 -18.65247 12.36913 
1 1 1   23   21    2 o  589.214   6.0554  1202.67   24.694  1095.69   32.997  1338.84   37.230  562.119   8.4815  621.341   8.6575 -59.22180 12.11975 
1 1 1   23   21    3 o  294.144   8.0619  299.998   16.413  261.024   28.002  320.393   20.257  273.336   14.858  303.851   9.6324 -30.51486 17.70691 
1 1 1   23   21    4 o  249.730   8.0792  216.280   13.964  166.314   19.997  263.832   19.509  218.195   13.306  275.643   10.226 -57.44881 16.78108 
1 1 1   23   21    5 o  357.598   6.5202  443.207   16.137  415.496   23.023  469.966   22.625  345.926   9.6164  367.993   8.8832 -22.06674 13.09144 
1 1 1   23   21    6 o  138.402   13.464   67.402   12.734   67.914   18.492   66.940   17.560  137.591   20.005  136.800   19.065 0.7911682 27.63429 
1 1 1   23   21    7 o  268.917   10.573  251.639   19.678   0.0000   0.0000  251.639   19.678  ?   ?   268.917   10.573 0.000000 10.57254 
1 1 1   23   21    8 o  129.643   14.053   59.543   12.407   78.612   17.719   41.200   17.379  148.311   17.606  105.189   24.352 43.12244 30.04959 
1 1 1   23   21    9 f   84.918   20.045   26.763   11.592   21.570   16.549   31.765   16.242   78.261   26.080   91.918   24.909 -13.65790 36.06398 
1 1 1   23   21   10 o  126.000   16.685   57.464   14.193   47.982   17.746   74.293   23.641  112.615   23.527  140.029   25.326 -27.41369 34.56774 
1 1 1   23   21   11 o   46.749   20.010   0.5953   11.529  -0.9434   16.847   1.9508   15.812   54.365   23.727   55.149   23.515 -0.7841110 33.40503 
1 1 1   23   21   12 o  155.599   11.293   86.020   12.079   76.488   17.414   94.859   16.768  143.895   17.870  161.810   15.149 -17.91467 23.42689 
1 1 1   23   21   13 o   68.657   22.868   17.831   12.724   44.063   22.631   5.7043   15.387  101.654   30.063   56.728   23.632 44.92599 38.23947 
1 1 1   23   21   14 o  117.769   14.618   51.314   11.659   34.057   16.372   69.070   16.606   90.256   25.229  134.584   18.303 -44.32874 31.16889 
1 1 1   23   21   15 o   64.605   21.603   16.574   11.354   14.531   16.050   18.620   16.063   64.168   25.030   68.723   25.448 -4.555565 35.69481 
1 1 1   23   21   16 f   82.371   19.770   28.029   11.128   29.162   16.429   27.070   15.126   79.934   25.954   77.788   24.868 2.146088 35.94482 
1 1 1   23   21   17 f   99.447   16.038   39.260   10.663   43.059   14.907   35.280   15.258   98.496   22.377   86.775   24.391 11.72041 33.10055 
1 1 1   23   23    0 o  260.260   8.8399  234.940   15.923  186.390   27.311  259.944   19.599  230.448   17.248  273.643   10.349 -43.19536 20.11445 
1 1 1   23   23    1 o  360.532   6.5581  450.392   16.364  425.825   23.471  473.630   22.828  350.296   9.6810  369.514   8.9260 -19.21719 13.16795 
1 1 1   23   23    2 o  417.024   7.1424  602.775   20.615  541.463   34.920  635.572   25.540  394.559   12.788  428.064   8.6206 -33.50497 15.42194 
1 1 1   23   23    3 o  166.761   11.088   97.047   12.724   84.174   18.220  109.300   17.777  154.251   17.369  176.498   14.686 -22.24637 22.74556 
1 1 1   23   23    4 o  266.201   7.7848  245.756   14.343  223.463   20.258  268.162   20.309  253.513   11.546  277.819   10.562 -24.30681 15.64819 
1 1 1   23   23    5 o  117.562   15.956   49.167   12.647   38.972   18.135   58.823   17.648  102.812   25.587  127.755   20.664 -24.94345 32.88934 
1 1 1   23   23    6 o  237.844   8.3692  196.393   13.777  163.715   19.808  227.014   19.174  216.230   13.300  255.436   10.846 -39.20595 17.16193 
1 1 1   23   23    7 o  168.824   11.000   99.707   12.783  115.103   18.638   86.034   17.564  180.642   15.044  155.655   16.558 24.98723 22.37199 
1 1 1   23   23    8 o  271.148   7.4732  255.437   14.025  255.452   20.072  255.424   19.604  270.590   10.718  270.626   10.466 -0.3598022E-01 14.98035 
1 1 1   23   23    9 o   54.911   22.337   5.0450   13.320   7.1740   16.262   0.7049   23.219   61.356   24.780   65.329   28.185 -3.973129 37.52967 
1 1 1   23   23   10 o   84.213   20.361   26.703   11.737   33.491   16.789   20.214   16.415   93.287   25.344   75.587   25.969 17.69940 36.28655 
1 1 1   23   23   11 o   48.716   20.477   2.3182   11.708   23.640   17.212 -16.0437   15.972   79.505   26.599   43.098   20.363 36.40730 33.49832 
1 1 1   23   23   12 o   44.382   19.371  -0.8300   11.232  -8.7711   16.445   6.1128   15.377   47.666   21.882   57.567   23.773 -9.900936 32.31060 
1 1 1   23   23   13 o  171.562   10.252  104.610   12.118  103.907   17.699  105.231   16.625  168.275   15.367  170.015   14.260 -1.739929 20.96418 
1 1 1   23   23   14 o   84.811   19.500   28.419   11.207   32.267   15.906   24.626   15.793   87.606   25.001   77.217   25.466 10.38866 35.68699 
1 1 1   23   23   15 o   31.037   15.161 -17.5750   10.737 -24.5148   14.723  -9.6913   15.692   35.612   17.470   44.147   20.645 -8.535728 27.04527 
1 1 1   23   23   16 o   54.038   20.565   10.411   10.647   8.6271   15.012   12.217   15.104   55.747   23.293   59.350   23.912 -3.603367 33.38214 
1 1 1   23   23   17 o  102.369   17.696   42.977   12.084   50.383   15.566   31.741   19.172  106.877   21.782   77.781   27.954 29.09610 35.43871 
1 1 1   23   25    0 o  248.911   9.8215  215.073   16.920  177.756   30.920  231.024   20.215  224.313   20.131  257.845   11.328 -33.53156 23.09884 
1 1 1   23   25    1 o  474.250   8.6913  780.253   28.528   0.0000   0.0000  780.253   28.528  ?   ?   474.250   8.6913 0.000000 8.691272 
1 1 1   23   25    2 o  148.696   12.829   77.505   13.074   48.476   19.220  102.506   17.836  115.026   24.867  170.770   15.251 -55.74352 29.17143 
1 1 1   23   25    3 f  249.670   8.3084  216.253   14.357  203.941   20.552  227.985   20.064  241.789   12.322  256.080   11.320 -14.29134 16.73293 
1 1 1   23   25    4 o  221.741   9.0654  170.704   13.913  141.624   19.513  200.773   19.842  201.029   14.114  240.195   11.936 -39.16568 18.48417 
1 1 1   23   25    5 o  401.369   6.3554  558.487   17.655  516.170   24.601  603.426   25.352  385.483   9.2207  416.865   8.7868 -31.38239 12.73694 
1 1 1   23   25    6 o  236.307   8.5731  193.980   14.021  174.846   20.051  212.291   19.615  223.425   13.023  246.836   11.481 -23.41107 17.36170 
1 1 1   23   25    7 f  263.490   7.7499  241.184   14.133  247.341   19.900  234.918   20.075  266.351   10.795  259.506   11.177 6.844543 15.53926 
1 1 1   23   25    8 f  164.823   12.695   95.790   14.370   86.792   17.315  115.707   25.762  155.895   16.288  178.466   21.276 -22.57071 26.79459 
1 1 1   23   25    9 o  119.838   14.943   51.574   12.124   70.137   17.180   33.155   17.113  138.896   18.318   93.186   25.701 45.71046 31.56100 
1 1 1   23   25   10 o   46.263   21.296 -10.0328   15.722  -2.2610   23.298 -16.5317   21.305   62.540   27.579   51.779   24.162 10.76139 36.66599 
1 1 1   23   25   11 o   60.890   24.808   7.7322   16.463   7.7322   16.463   0.0000   0.0000   60.890   24.808  ?   ?  0.000000 24.80840 
1 1 1   23   25   12 o   56.803   23.709   5.3236   15.528   4.2293   23.358   6.1902   20.787   65.122   28.183   63.775   27.070 1.347332 39.07767 
1 1 1   23   25   13 o  186.830   10.726  124.509   13.811  120.330   16.962  132.732   23.792  182.049   13.559  187.522   18.576 -5.472885 22.99846 
1 1 1   23   25   14 o   74.740   20.933   22.571   11.260   16.003   15.430   30.053   16.469   66.020   24.843   83.861   25.830 -17.84147 35.83764 
1 1 1   23   25   15 o   94.858   17.098   35.167   10.812   20.940   14.749   51.697   15.898   70.511   24.594  112.265   21.238 -41.75341 32.49498 
1 1 1   23   25   16 o   35.960   17.086 -10.3956   11.551 -13.9413   14.469  -4.1634   19.182   39.084   18.722   50.540   23.356 -11.45628 29.93369 
1 1 1   23   25   17 o   63.595   21.264   18.139   11.000   12.012   16.302   23.259   14.903   57.301   24.128   69.167   24.669 -11.86556 34.50663 
1 1 1   23   27    0 f  176.996   13.362  109.711   16.248   84.878   28.691  121.434   19.713  152.198   28.278  185.907   15.461 -33.70888 32.22902 
1 1 1   23   27    1 o  221.340   10.539  170.222   16.145  133.171   29.069  186.750   19.415  193.265   22.131  231.367   12.167 -38.10219 25.25479 
1 1 1   23   27    2 o  162.747   12.149   92.674   13.585   84.330   19.717  100.216   18.746  153.963   18.900  168.575   16.269 -14.61177 24.93746 
1 1 1   23   27    3 o  100.930   19.535   36.967   13.153   27.803   19.012   45.380   18.216   88.543   27.833  111.120   24.357 -22.57743 36.98544 
1 1 1   23   27    4 o   81.739   22.046   24.416   12.758   21.170   17.931   27.744   18.156   79.679   27.147   87.983   27.124 -8.304482 38.37508 
1 1 1   23   27    5 o  173.981   11.207  105.844   13.423   96.443   19.143  114.939   18.828  164.898   17.018  180.574   15.207 -15.67653 22.82217 
1 1 1   23   27    6 o  152.873   12.143   82.094   12.742   59.363   17.957  105.151   18.085  127.729   21.046  172.447   15.312 -44.71742 26.02641 
1 1 1   23   27    7 f  182.512   11.754  116.930   14.769  122.846   17.940  104.488   26.017  186.549   13.997  169.171   22.802 17.37733 26.75484 
1 1 1   23   27    8 o  116.325   15.463   48.651   12.141   53.919   17.063   43.248   17.279  120.752   21.189  107.039   23.926 13.71246 31.95971 
1 1 1   23   27    9 f  251.790   8.8393  221.383   15.404  229.914   19.091  205.463   26.078  256.038   10.773  239.740   15.805 16.29861 19.12749 
1 1 1   23   27   10 o  135.725   14.200   66.217   13.141   69.091   16.435   61.122   21.882  137.300   17.708  125.119   26.112 12.18076 31.55035 
1 1 1   23   27   11 o   58.800   23.678   7.9294   14.800  -9.1951   21.359   23.746   20.528   54.923   25.111   80.218   28.915 -25.29485 38.29707 
1 1 1   23   27   12 o  109.262   17.800   44.967   12.997   49.030   16.295   37.863   21.547  112.079   21.791   94.795   29.603 17.28493 36.75838 
1 1 1   23   27   13 o   91.616   20.675   33.264   12.798   38.953   15.542   21.283   22.556   97.811   23.293   75.969   29.662 21.84225 37.71426 
1 1 1   23   27   14 o   94.477   21.027   36.208   13.396   24.967   15.958   63.024   24.647   76.754   25.612  117.009   30.223 -40.25544 39.61528 
1 1 1   23   27   15 o   48.255   21.548  -0.4046   14.676  -0.4046   14.676   0.0000   0.0000   48.255   21.548  ?   ?  0.000000 21.54796 
1 1 1   23   27   16 o   37.163   17.067  -4.1089   10.020  -1.5192   13.485  -7.3015   14.972   44.809   20.276   43.146   20.174 1.662910 28.60258 
1 1 1   23   29    0 o  116.190   17.966   48.390   13.981   30.100   20.171   65.304   19.397   91.851   28.635  134.529   21.561 -42.67834 35.84415 
1 1 1   23   29    1 o  540.080   7.2337  1011.57   27.039  942.927   46.212  1047.30   33.342  520.236   12.835  549.259   8.7709 -29.02246 15.54522 
1 1 1   23   29    2 o  218.774   9.7036  166.300   14.693  124.672   21.014  206.117   20.552  188.054   16.307  242.966   12.261 -54.91248 20.40203 
1 1 1   23   29    3 o  228.477   9.1076  181.338   14.402  163.710   20.103  199.924   20.643  216.185   13.503  239.176   12.514 -22.99120 18.41016 
1 1 1   23   29    4 o   54.806   22.130   4.9552   12.967  -7.6815   18.450   17.288   18.227   53.515   24.009   75.216   27.226 -21.70093 36.30025 
1 1 1   23   29    5 o   77.149   22.284   21.694   12.565   18.967   17.826   24.387   17.714   76.568   27.015   83.076   26.949 -6.507683 38.15781 
1 1 1   23   29    6 o  117.956   18.081   50.319   14.290   39.961   17.483   71.171   24.805  103.257   24.779  137.800   26.974 -34.54275 36.62786 
1 1 1   23   29    7 o  179.309   10.197  112.624   12.603  111.652   17.704  113.622   17.945  177.432   14.544  178.979   14.614 -1.546799 20.61823 
1 1 1   23   29    8 o   89.273   19.303   29.686   11.580   31.155   16.282   28.182   16.472   90.419   25.119   86.340   25.674 4.079842 35.91850 
1 1 1   23   29    9 o  143.517   16.216   74.526   15.825   78.195   23.565   71.512   21.357  143.225   24.663  137.514   23.270 5.710587 33.90746 
1 1 1   23   29   10 o   98.129   23.523   37.476   15.768   37.834   23.903   37.200   20.981   96.826   31.294   96.240   29.058 0.5859833 42.70413 
1 1 1   23   29   11 o  160.614   11.890   92.115   13.124   93.410   16.394   89.805   21.898  160.337   14.945  153.663   21.151 6.673920 25.89825 
1 1 1   23   29   12 f   51.352   20.662   6.0933   11.261   24.084   15.939 -11.8355   15.912   77.691   25.581   44.454   20.789 33.23732 32.96288 
1 1 1   23   29   13 o  126.635   13.594   58.898   11.728   75.159   16.255   41.241   16.938  141.056   16.992   99.310   24.735 41.74552 30.00931 
1 1 1   23   29   14 o   48.762   20.242   4.8698   11.232   27.746   15.197 -22.6697   16.674   80.177   24.832   39.567   19.231 40.61060 31.40765 
1 1 1   23   29   15 o   49.051   20.956   4.1224   12.604   13.283   14.908 -18.8390   23.602   60.556   23.970   49.310   23.697 11.24655 33.70623 
1 1 1   23   29   16 o   53.846   21.456   10.306   12.018   15.363   13.805  -5.5220   24.423   60.682   23.340   53.731   25.324 6.950493 34.43887 
1 1 1   23   31    0 o  105.439   20.775   40.544   14.622   25.461   21.417   53.712   20.011   86.927   29.668  120.803   24.765 -33.87575 38.64555 
1 1 1   23   31    1 o  801.076   7.0405  2225.96   39.035  2078.61   52.866  2402.59   57.882  773.228   9.8785  831.234   10.061 -58.00598 14.10004 
1 1 1   23   31    2 o  284.166   9.3559  280.666   18.401  255.366   31.742  293.471   22.582  269.160   17.128  290.296   11.240 -21.13589 20.48654 
1 1 1   23   31    3 o  326.717   7.2762  370.454   16.453  323.490   23.218  417.824   23.319  304.744   11.008  346.588   9.7211 -41.84433 14.68609 
1 1 1   23   31    4 o   50.073   21.205   0.9635   12.708   8.7191   17.785  -7.1283   18.166   65.501   26.100   53.249   23.862 12.25218 35.36391 
1 1 1   23   31    5 o  292.626   8.6806  297.912   17.581  279.392   21.128  339.610   31.701  282.975   10.788  310.884   14.733 -27.90884 18.26037 
1 1 1   23   31    6 f   81.742   21.696   24.887   12.479   42.930   17.340   5.5057   17.972  106.864   24.028   62.267   25.706 44.59746 35.18763 
1 1 1   23   31    7 o   55.781   21.611   7.7352   11.902   15.160   16.792   0.2392   16.872   70.247   26.017   55.893   24.070 14.35385 35.44395 
1 1 1   23   31    8 o   88.188   19.579   29.158   11.638   54.505   16.323   2.9483   16.599  121.181   20.171   57.421   24.271 63.76023 31.55918 
1 1 1   23   31    9 o   87.445   24.474   29.654   15.396   26.341   22.913   32.380   20.789   85.035   30.560   90.996   29.161 -5.961418 42.24062 
1 1 1   23   31   10 o   71.954   22.887   19.576   12.824   15.606   16.387   25.849   20.599   68.802   25.658   82.552   29.049 -13.75056 38.75840 
1 1 1   23   31   11 o   44.218   19.258  -0.4179   11.048  -5.8458   15.620   5.0163   15.629   47.911   21.737   56.484   23.696 -8.572590 32.15582 
1 1 1   23   31   12 o   93.150   18.090   33.331   11.242   24.547   15.816   42.300   15.983   77.824   25.475  102.367   23.107 -24.54315 34.39336 
1 1 1   23   31   13 o   68.106   21.364   18.565   11.208   27.193   15.591   9.3365   16.124   80.172   25.204   59.484   24.429 20.68821 35.10067 
1 1 1   23   31   14 o   38.902   17.852  -5.0197   10.932  -7.3469   13.702  -0.9429   18.135   42.202   19.586   52.555   23.672 -10.35300 30.72404 
1 1 1   23   31   15 o   35.834   16.692  -6.3373   10.098   0.2776   14.535 -12.5093   14.040   47.945   21.424   39.169   18.675 8.776253 28.42087 
1 1 1   23   31   16 o   37.449   17.208  -3.5908   10.205 -14.4682   15.516   4.7016   13.547   39.574   19.066   49.016   21.337 -9.442307 28.61445 
1 1 1   23   33    0 o  379.746   8.2938  500.952   21.798  469.390   26.417  568.293   38.587  367.188   10.395  403.095   13.831 -35.90741 17.30192 
1 1 1   23   33    1 o  377.369   7.2078  494.271   18.825  453.691   26.609  534.940   26.638  360.916   10.652  392.093   9.8160 -31.17740 14.48524 
1 1 1   23   33    2 o  279.790   9.2656  272.303   17.942  297.220   30.893  259.620   22.041  290.602   15.415  272.785   11.674 17.81714 19.33670 
1 1 1   23   33    3 o  289.955   7.8909  292.134   15.836  269.291   22.157  315.985   22.641  277.747   11.526  301.010   10.868 -23.26270 15.84164 
1 1 1   23   33    4 o  389.734   7.6976  527.929   20.764  510.788   25.286  563.415   36.381  382.908   9.5414  400.966   13.110 -18.05765 16.21430 
1 1 1   23   33    5 o  190.573   10.409  127.201   13.677  110.464   19.100  144.818   19.594  176.137   15.837  202.412   14.074 -26.27515 21.18691 
1 1 1   23   33    6 o   66.220   22.596   14.985   12.424   19.613   17.148   9.8714   18.025   75.794   26.514   66.068   26.292 9.726173 37.33979 
1 1 1   23   33    7 o   64.086   22.078   14.006   11.868 -14.9056   16.897   42.157   16.673   45.662   21.376  105.220   23.490 -59.55790 31.75984 
1 1 1   23   33    8 o  113.984   23.470   49.764   17.899   49.764   17.899   0.0000   0.0000  113.984   23.470  ?   ?  0.000000 23.47049 
1 1 1   23   33    9 o  142.336   13.412   72.706   13.056   55.421   16.745   99.512   20.852  121.087   20.726  164.169   18.685 -43.08282 27.90485 
1 1 1   23   33   10 o   81.354   25.719   26.106   16.214   0.0000   0.0000   26.106   16.214  ?   ?    81.354   25.719 0.000000 25.71918 
1 1 1   23   33   11 o  122.772   13.605   54.912   11.366   59.796   15.808   49.684   16.354  125.504   18.776  112.521   21.787 12.98257 28.76181 
1 1 1   23   33   12 o   38.657   17.755  -5.9107   10.847   2.4884   14.760 -15.7733   15.994   52.145   22.485   42.113   20.038 10.03219 30.11760 
1 1 1   23   33   13 o  134.776   13.608   67.174   12.520   71.829   16.142   60.146   19.835  136.702   17.460  119.092   24.867 17.60960 30.38452 
1 1 1   23   33   14 f   42.278   18.475   0.5737   10.243  -9.3114   14.751   9.7771   14.233   42.467   19.910   56.705   23.081 -14.23816 30.48173 
1 1 1   23   33   15 o   36.944   17.031  -4.5979   10.107  -8.6941   14.834  -1.0483   13.809   42.153   19.827   45.604   20.588 -3.450668 28.58270 
1 1 1   23   35    0 o   87.861   20.112   28.494   11.966   21.298   24.799   30.678   13.661   84.370   31.544   90.919   21.958 -6.548782 38.43414 
1 1 1   23   35    1 o  426.816   6.8198  632.462   20.146  579.390   28.187  687.887   28.805  407.763   9.9876  444.491   9.3632 -36.72769 13.69022 
1 1 1   23   35    2 o  302.287   8.0474  317.723   16.837  255.135   23.693  381.573   23.930  269.936   12.682  330.734   10.454 -60.79797 16.43513 
1 1 1   23   35    3 o  205.763   11.692  148.573   16.582  162.440   20.456  122.000   28.317  214.597   13.846  182.743   22.891 31.85370 26.75253 
1 1 1   23   35    4 o  174.338   11.332  106.806   13.599  105.374   19.577  108.141   18.905  171.649   16.690  174.180   15.856 -2.530899 23.02080 
1 1 1   23   35    5 o  263.097   8.2301  241.163   14.986  232.325   20.873  250.567   21.530  257.342   11.719  267.279   11.639 -9.936859 16.51673 
1 1 1   23   35    6 o  169.449   11.338  101.250   13.221   86.483   18.178  117.831   19.262  154.613   17.283  181.454   15.486 -26.84077 23.20607 
1 1 1   23   35    7 o  174.906   11.129  107.998   13.402   92.846   19.241  122.273   18.677  159.691   17.707  184.825   14.722 -25.13440 23.02809 
1 1 1   23   35    8 o   80.355   21.040   24.707   11.839   22.376   16.966   26.919   16.529   77.691   26.406   83.433   25.906 -5.742706 36.99197 
1 1 1   23   35    9 o   48.132   20.651   0.9756   12.334   0.7089   15.599   1.4205   20.144   53.145   23.015   59.904   26.048 -6.758888 34.75896 
1 1 1   23   35   10 o   83.196   20.155   26.913   11.483   19.817   16.610   33.409   15.893   73.000   26.042   90.979   24.634 -17.97887 35.84743 
1 1 1   23   35   11 o  108.142   15.036   43.397   10.950   44.165   15.353   42.602   15.621  105.500   21.749  103.110   22.520 2.390373 31.30760 
1 1 1   23   35   12 o   71.510   21.724   20.664   11.700   19.079   14.938   23.180   18.820   69.559   24.709   75.402   27.608 -5.842743 37.05073 
1 1 1   23   35   13 o   73.105   20.185   21.876   10.549   12.923   14.958   30.735   14.880   61.232   24.082   84.279   24.222 -23.04709 34.15647 
1 1 1   23   35   14 o   40.156   17.794  -0.6087   9.8144   6.5877   13.922  -7.7179   13.838   52.801   22.268   41.692   19.460 11.10932 29.57358 
1 1 1   23   35   15 o   57.059   21.448   13.174   11.495   18.068   20.886   11.048   13.768   65.114   27.358   55.722   22.693 9.392490 35.54507 
1 1 1   23   37    0 o  328.958   6.8595  375.941   15.617  358.732   31.444  381.577   17.994  319.296   14.229  331.215   7.8493 -11.91922 16.25024 
1 1 1   23   37    1 o  104.141   17.368   39.437   12.078   31.083   26.857   41.555   13.522   94.129   33.164  106.491   19.046 -12.36126 38.24390 
1 1 1   23   37    2 o   65.755   29.015  -3.9854   25.826   0.0000   0.0000  -3.9854   25.826  ?   ?    65.755   29.015 0.000000 29.01493 
1 1 1   23   37    3 o   98.577   22.779   36.584   15.229   37.137   24.449   36.233   19.468   98.914   31.616   97.366   27.615 1.547676 41.97779 
1 1 1   23   37    4 o  160.086   12.114   90.533   13.323   89.783   18.966   91.264   18.718  157.629   17.690  159.088   17.278 -1.458939 24.72777 
1 1 1   23   37    5 o  119.631   16.006   51.809   12.921   50.853   18.262   52.767   18.284  115.744   23.597  118.114   23.194 -2.369247 33.08697 
1 1 1   23   37    6 o  187.240   10.473  123.425   13.518  147.615   19.344  100.336   18.899  203.582   13.810  166.568   16.615 37.01463 21.60506 
1 1 1   23   37    7 o  140.341   19.415   73.078   18.353   55.366   26.707   88.927   25.263  115.747   32.176  152.019   24.871 -36.27245 40.66801 
1 1 1   23   37    8 o  164.809   10.844   96.275   12.301   89.646   17.362  102.956   17.430  156.726   16.242  168.634   15.094 -11.90784 22.17212 
1 1 1   23   37    9 o  106.868   18.171   43.034   12.959   36.204   16.177   55.268   21.650   95.057   24.450  116.125   27.382 -21.06851 36.70963 
1 1 1   23   37   10 o  179.326   9.9550  114.161   12.307  108.476   17.096  120.276   17.730  172.406   14.461  181.754   14.208 -9.348389 20.27268 
1 1 1   23   37   11 o  151.978   11.365   83.148   11.867   80.137   16.379   86.474   17.218  146.152   16.480  151.741   16.670 -5.589050 23.44082 
1 1 1   23   37   12 o   40.526   17.996  -1.4741   10.089 -13.2138   14.774   8.7847   13.811   40.946   19.417   56.280   22.799 -15.33353 29.94643 
1 1 1   23   37   13 o   61.548   20.550   15.219   10.273   8.5051   14.898   21.306   14.186   56.172   23.315   70.637   24.145 -14.46450 33.56423 
1 1 1   23   37   14 o   54.006   21.033   10.328   11.320  -1.8137   20.616   15.568   13.544   53.099   24.422   61.711   23.264 -8.612099 33.72895 
1 1 1   23   39    0 o  191.682   10.562  128.935   13.958  127.122   25.955  129.673   16.556  186.865   20.400  191.689   12.549 -4.823334 23.95034 
1 1 1   23   39    1 o  168.733   12.204  100.506   14.155  108.634   27.829   97.669   16.441  170.797   24.220  165.656   14.486 5.141113 28.22170 
1 1 1   23   39    2 o   73.158   21.895   19.776   11.950 -10.3268   25.499   28.249   13.528   61.320   27.803   86.488   22.415 -25.16776 35.71325 
1 1 1   23   39    3 o  200.990   9.2369  141.132   12.849  118.049   27.243  147.736   14.572  178.521   22.552  205.415   10.250 -26.89375 24.77187 
1 1 1   23   39    4 f   33.203   16.302 -25.0749   12.904 -18.7984   18.251 -31.3483   18.246   45.927   21.720   40.631   19.830 5.296631 29.41051 
1 1 1   23   39    5 o   47.016   20.582  -1.6016   12.764   4.3541   18.478  -7.0366   17.652   60.956   25.678   51.371   23.226 9.585167 34.62413 
1 1 1   23   39    6 o  233.831   12.583  194.191   20.290   0.0000   0.0000  194.191   20.290  ?   ?   233.831   12.583 0.000000 12.58326 
1 1 1   23   39    7 o  196.980   9.7803  136.435   13.334  133.237   18.491  139.900   19.246  192.628   13.964  197.292   14.189 -4.664276 19.90800 
1 1 1   23   39    8 o   75.948   20.835   22.343   11.282   17.046   15.981   27.606   15.929   69.753   25.456   83.337   25.354 -13.58370 35.92826 
1 1 1   23   39    9 o  192.009   10.503  131.046   13.905  140.263   17.184  113.561   23.668  197.514   12.637  172.706   20.181 24.80815 23.81067 
1 1 1   23   39   10 o   50.735   20.566   5.8424   11.246   9.1137   15.340   2.0409   16.536   59.236   24.017   54.359   23.618 4.876999 33.68431 
1 1 1   23   39   11 o  107.205   15.345   43.231   11.061   32.973   16.096   52.409   15.225   87.933   25.170  115.402   19.774 -27.46911 32.00807 
1 1 1   23   39   12 o   34.397   16.243  -9.2024   10.139   6.2725   14.732 -23.1324   13.977   54.343   22.912   34.807   17.065 19.53532 28.56872 
1 1 1   23   39   13 o   56.381   20.150   12.271   9.9480   30.639   14.217  -5.3491   13.925   83.217   23.598   43.369   19.992 39.84862 30.92809 
1 1 1   23   39   14 o   45.450   18.904   4.9845   9.8234   7.2410   14.570   3.1038   13.301   52.847   22.553   47.914   20.992 4.932770 30.81130 
1 1 1   23   41    0 o  107.793   17.916   42.690   12.897   88.878   24.185   24.335   15.246  154.005   23.429   80.583   24.858 73.42212 34.15875 
1 1 1   23   41    1 o  219.106   8.4565  167.540   12.824  132.146   25.432  179.609   14.850  190.270   19.592  226.619   9.4680 -36.34915 21.76011 
1 1 1   23   41    2 o  179.807   9.8831  113.552   12.252  100.878   25.878  117.214   13.910  163.969   23.473  182.354   11.074 -18.38484 25.95360 
1 1 1   23   41    3 o   87.376   19.531   28.715   11.514 -18.8683   27.236   39.070   12.705   58.860   27.416  102.593   18.577 -43.73302 33.11769 
1 1 1   23   41    4 o  225.160   10.781  178.290   16.801  165.463   27.969  185.531   21.016  212.514   19.224  228.355   13.355 -15.84164 23.40758 
1 1 1   23   41    5 o  199.528   10.421  140.417   14.341   0.0000   0.0000  140.417   14.341  ?   ?   199.528   10.421 0.000000 10.42093 
1 1 1   23   41    6 f   42.503   19.444  -7.0385   12.830   3.7592   17.888 -18.4790   18.413   58.990   25.078   45.790   21.702 13.20000 33.16467 
1 1 1   23   41    7 f  124.305   14.718   56.334   12.417   41.988   17.743   70.103   17.383  102.322   25.217  136.776   18.864 -34.45407 31.49203 
1 1 1   23   41    8 o  115.209   15.139   48.878   11.779   50.110   17.049   47.753   16.294  112.781   22.629  110.326   22.109 2.455498 31.63618 
1 1 1   23   41    9 o   76.827   22.315   23.615   12.569   4.0493   15.235   65.317   22.242   54.490   23.154  125.449   26.451 -70.95900 35.15310 
1 1 1   23   41   10 f   60.450   23.080   12.255   13.438   23.177   15.919 -14.8146   25.062   75.207   25.579   54.714   25.746 20.49308 36.29242 
1 1 1   23   41   11 o   38.769   17.731  -4.7813   10.661 -35.3894   15.237   24.575   14.922   32.894   16.418   76.066   24.737 -43.17211 29.68941 
1 1 1   23   41   12 o   64.046   20.396   16.762   10.183   22.349   14.890   11.853   13.957   71.891   24.732   58.787   23.217 13.10392 33.92175 
1 1 1   23   41   13 o   48.742   20.040   6.3430   10.865 -16.2195   20.243   15.474   12.877   45.876   22.020   61.410   22.776 -15.53394 31.67997 
1 1 1   23   43    0 f  151.089   11.345   80.801   11.777   48.595   23.985   91.032   13.519  109.837   30.478  160.118   12.293 -50.28068 32.86333 
1 1 1   23   43    1 o  153.468   11.965   83.579   12.609   82.927   24.238   83.821   14.764  147.263   24.652  152.960   14.104 -5.697632 28.40208 
1 1 1   23   43    2 o  203.622   8.8935  145.096   12.534  121.415   27.556  151.273   14.074  179.772   22.650  207.667   9.7918 -27.89510 24.67563 
1 1 1   23   43    3 o  125.869   14.818   57.321   12.661   73.122   25.912   52.365   14.512  135.400   28.550  118.934   18.209 16.46565 33.86245 
1 1 1   23   43    4 o  202.559   10.539  144.883   14.724   0.0000   0.0000  144.883   14.724  ?   ?   202.559   10.539 0.000000 10.53888 
1 1 1   23   43    5 o   63.963   21.142   14.917   10.884   18.380   23.093   13.928   12.340   76.514   29.975   63.468   22.467 13.04602 37.46016 
1 1 1   23   43    6 o   64.048   20.653   15.256   10.416 -10.5902   21.638   23.051   11.883   54.226   24.969   77.004   21.483 -22.77805 32.93942 
1 1 1   23   43    7 o   90.587   22.206   32.478   13.815   28.849   22.917   34.549   17.314   84.899   30.557   91.856   26.039 -6.957420 40.14741 
1 1 1   23   43    8 o  132.903   13.294   64.267   12.065   51.214   17.024   77.437   17.100  113.528   22.461  143.523   17.582 -29.99529 28.52463 
1 1 1   23   43    9 o   73.947   25.412   22.035   15.718   22.035   15.718   0.0000   0.0000   73.947   25.412  ?   ?  0.000000 25.41163 
1 1 1   23   43   10 o   56.437   21.081   10.986   11.070   21.456   15.877   1.0793   15.443   72.329   25.498   51.321   22.549 21.00765 34.03800 
1 1 1   23   43   11 o   53.949   20.765   9.6636   10.933   7.0844   16.224   11.809   14.798   56.456   23.937   59.720   23.804 -3.264736 33.75811 
1 1 1   23   43   12 o   68.292   21.748   19.895   11.577  -9.5805   20.287   34.131   14.098   49.318   23.194   88.349   22.876 -39.03151 32.57711 
1 1 1   23   43   13 o   51.738   19.677   9.9154   9.7435   20.807   14.618   1.2069   13.071   67.341   24.381   45.987   20.449 21.35399 31.82115 
1 1 1   23   45    0 o  116.959   14.212   49.473   11.268   19.000   22.234   60.004   13.071   77.063   29.625  128.677   14.956 -51.61324 33.18620 
1 1 1   23   45    1 o   90.105   18.647   30.592   11.246   19.966   22.221   34.251   13.039   77.890   29.694   94.792   20.473 -16.90200 36.06725 
1 1 1   23   45    2 o   54.854   20.734   8.7629   10.776   15.220   23.854   7.1072   12.079   74.760   30.076   54.468   21.571 20.29208 37.01175 
1 1 1   23   45    3 o   79.715   21.685   24.571   12.282   0.0000   0.0000   24.571   12.282  ?   ?    79.715   21.685 0.000000 21.68513 
1 1 1   23   45    4 o   98.209   17.457   36.109   11.431   3.0912   26.505   43.653   12.670   67.992   29.715  108.171   17.522 -40.17854 34.49667 
1 1 1   23   45    5 o   73.528   24.754   20.576   14.908   7.1317   24.078   28.935   18.986   67.786   28.963   84.917   27.917 -17.13049 40.22660 
1 1 1   23   45    6 o   86.349   17.934   28.450   10.368   1.5639   22.045   36.086   11.748   61.414   26.963   97.454   18.083 -36.04064 32.46547 
1 1 1   23   45    7 o  125.994   12.303   57.408   10.592   51.805   23.536   58.831   11.861  108.831   30.189  126.909   13.722 -18.07753 33.16106 
1 1 1   23   45    8 o   74.270   20.583   21.983   10.946   0.6312   21.459   29.493   12.727   58.995   26.219   85.580   21.511 -26.58519 33.91380 
1 1 1   23   45    9 o  111.765   13.685   46.244   10.365   89.659   22.400   34.416   11.692  149.049   22.408   93.601   18.702 55.44755 29.18705 
1 1 1   23   45   10 o   50.279   20.675   5.9314   11.567   18.003   16.770  -5.0241   15.976   67.808   25.809   47.320   21.665 20.48808 33.69718 
1 1 1   23   45   11 o   63.125   22.316   16.213   12.170   3.1566   22.281   21.765   14.529   58.542   26.316   70.822   24.426 -12.28033 35.90444 
1 1 1   23   45   12 o   96.117   15.890   36.403   10.201   59.468   15.104   17.054   13.834  120.714   18.681   63.359   23.585 57.35520 30.08749 
1 1 1   23   47    0 o  207.526   8.7986  151.105   12.638  143.219   24.784  153.876   14.691  196.843   18.405  208.944   10.159 -12.10121 21.02260 
1 1 1   23   47    1 o   67.822   21.248   17.338   11.091   16.273   22.798   17.668   12.694   74.212   29.558   68.916   22.835 5.295883 37.35107 
1 1 1   23   47    2 o   59.564   23.249   9.8631   13.853   0.0000   0.0000   9.8631   13.853  ?   ?    59.564   23.249 0.000000 23.24881 
1 1 1   23   47    3 o   91.131   18.653   31.629   11.369   45.395   25.619   28.253   12.686  102.845   32.305   85.000   21.538 17.84451 38.82641 
1 1 1   23   47    4 o   67.359   26.942   12.868   19.022   36.693   26.507 -12.4244   27.312   93.318   32.940   59.949   27.763 33.36909 43.07919 
1 1 1   23   47    5 o  103.586   26.973   44.689   19.528   0.0000   0.0000   44.689   19.528  ?   ?   103.586   26.973 0.000000 26.97322 
1 1 1   23   47    6 o  126.561   12.483   58.030   10.792   40.293   24.057   62.499   12.075   95.493   31.426  130.888   13.525 -35.39458 34.21317 
1 1 1   23   47    7 o   50.028   20.354   5.5891   11.061   7.8537   23.028   4.9099   12.612   65.300   28.121   51.454   21.412 13.84663 35.34512 
1 1 1   23   47    8 o  128.619   12.058   60.205   10.608   36.659   22.716   66.773   11.997   89.570   30.554  134.980   13.002 -45.40997 33.20563 
1 1 1   23   47    9 f  135.162   11.531   66.483   10.684   63.366   24.715   67.200   11.848  116.122   30.397  135.123   12.823 -19.00117 32.99042 
1 1 1   23   47   10 o   42.487   18.773  -0.3265   10.846   2.9844   24.059  -1.1710   12.151   60.253   27.191   43.917   19.609 16.33584 33.52388 
1 1 1   23   47   11 o   52.682   19.293   10.381   9.1913   33.649   20.598   4.5960   10.271   81.766   29.019   46.081   19.262 35.68503 34.82942 
1 1 1   23   49    0 o  212.851   8.7819  159.265   12.937  159.463   25.467  159.196   15.020  207.314   17.926  212.217   10.226 -4.903259 20.63716 
1 1 1   23   49    1 o  165.044   12.163   97.637   13.796   0.0000   0.0000   97.637   13.796  ?   ?   165.044   12.163 0.000000 12.16334 
1 1 1   23   49    2 o  121.588   13.933   53.881   11.513   53.073   23.310   54.142   13.241  111.665   29.660  120.824   16.246 -9.158813 33.81775 
1 1 1   23   49    3 o  129.282   13.325   60.686   11.752   93.610   26.920   52.933   13.063  151.621   26.624  119.316   16.240 32.30495 31.18631 
1 1 1   23   49    4 o  120.314   14.239   53.110   11.627   45.415   25.350   55.160   13.085  100.919   32.186  121.822   15.898 -20.90292 35.89862 
1 1 1   23   49    5 o   68.143   20.906   18.189   10.801   45.888   24.315   11.380   12.056  101.035   31.429   58.599   21.977 42.43592 38.35066 
1 1 1   23   49    6 o   80.459   27.192   27.208   17.990   39.815   24.841   13.302   26.089   93.356   31.951   71.191   30.276 22.16560 44.01700 
1 1 1   23   49    7 o  125.503   12.306   57.476   10.551   54.098   22.249   58.456   11.985  109.801   28.888  125.635   14.022 -15.83336 32.11109 
1 1 1   23   49    8 o   49.488   19.465   7.0560   9.7728  -3.6776   23.187   9.3746   10.777   56.915   26.074   53.705   20.630 3.209488 33.24831 
1 1 1   23   49    9 o  108.664   14.179   44.524   10.410   31.215   25.553   47.173   11.398   80.841   31.569  111.233   15.204 -30.39231 35.03939 
1 1 1   23   49   10 o   40.296   18.270  -2.7865   11.011   10.288   23.882  -6.3159   12.408   63.237   27.903   40.127   18.629 23.11007 33.54986 
1 1 1   23   49   11 o   45.036   18.705   4.9123   9.5984   15.498   21.979   2.4180   10.670   63.779   27.470   43.809   19.003 19.97030 33.40227 
1 1 1   23   51    0 f   41.221   18.949  -6.9068   12.390   0.0000   0.0000  -6.9068   12.390  ?   ?    41.221   18.949 0.000000 18.94882 
1 1 1   23   51    1 o   88.830   19.022   30.566   11.342 -42.5415   23.616   52.483   12.931   43.882   21.644  118.641   16.168 -74.75902 27.01643 
1 1 1   23   51    2 o   47.218   19.858   2.9119   11.020 -13.3366   22.666   7.9417   12.611   53.260   24.876   55.092   21.970 -1.832226 33.18880 
1 1 1   23   51    3 o  126.028   14.830   58.685   12.688   84.244   24.643   49.465   14.801  143.124   25.828  112.955   19.646 30.16891 32.45044 
1 1 1   23   51    4 o   90.222   18.447   31.612   11.130   3.1444   24.453   39.051   12.500   63.596   28.139  100.403   18.675 -36.80729 33.77229 
1 1 1   23   51    5 o   39.436   17.885  -4.0456   10.562   10.883   23.271  -7.9182   11.853   67.159   28.578   39.096   18.169 28.06262 33.86507 
1 1 1   23   51    6 o   96.759   23.194   38.997   15.331   55.024   26.712   31.125   18.721  106.409   32.916   84.058   27.726 22.35020 43.03731 
1 1 1   23   51    7 o   65.591   19.913   17.320   9.8334   1.8200   22.975   20.796   10.880   59.687   26.784   71.254   20.781 -11.56714 33.90059 
1 1 1   23   51    8 o   81.997   18.614   27.113   10.322   13.863   24.291   30.032   11.403   67.327   28.937   85.765   19.634 -18.43826 34.96911 
1 1 1   23   51    9 o   51.501   20.585   8.1882   11.096   0.0000   0.0000   8.1882   11.096  ?   ?    51.501   20.585 0.000000 20.58506 
1 1 1   23   51   10 o   46.044   19.844   3.4183   11.485   14.551   25.446   0.5703   12.870   64.925   28.717   45.375   20.226 19.54967 35.12496 
1 1 1   23   53    0 o   85.705   20.124   29.106   11.733   40.039   25.072   26.041   13.277   93.954   32.100   79.961   22.850 13.99319 39.40171 
1 1 1   23   53    1 o  119.749   14.599   53.107   11.849   1.4615   25.764   66.961   13.344   63.786   28.512  134.654   14.549 -70.86757 32.00961 
1 1 1   23   53    2 o   60.895   22.513   13.073   12.562   44.517   22.784  -0.6592   15.057   99.257   30.350   49.910   22.082 49.34610 37.53312 
1 1 1   23   53    3 o   38.835   17.790  -5.3686   10.790 -44.2390   20.785   8.9718   12.625   39.083   19.453   55.708   22.056 -16.62508 29.40891 
1 1 1   23   53    4 o   68.757   21.127   18.998   11.025   58.390   24.454   8.9473   12.352  112.527   30.594   55.184   21.827 57.34292 37.58170 
1 1 1   23   53    5 o   71.053   20.868   20.550   10.938  -8.6098   25.053   27.417   12.158   56.642   26.354   81.690   21.288 -25.04851 33.87755 
1 1 1   23   53    6 o   55.053   21.357   9.9023   11.636   43.732   25.064   0.6075   13.138   93.853   32.094   47.267   20.782 46.58528 38.23507 
1 1 1   23   53    7 o   89.939   17.796   32.155   10.686   23.000   26.364   33.954   11.689   74.333   30.947   91.651   19.049 -17.31785 36.34013 
1 1 1   23   53    8 o   42.264   18.949  -1.3853   11.471   0.0000   0.0000  -1.3853   11.471  ?   ?    42.264   18.949 0.000000 18.94875 
1 1 1   23   53    9 o  121.354   13.429   55.969   11.090   73.805   25.905   51.967   12.271  118.003   31.231  114.965   15.843 3.037560 35.01928 
1 1 1   23   55    0 o   48.675   21.534  -0.4467   14.317 -15.1805   23.542   8.2011   18.036   52.452   24.764   60.242   25.373 -7.790470 35.45490 
1 1 1   23   55    1 o   78.051   21.328   24.867   11.849   9.0732   24.649   29.614   13.513   66.422   28.848   84.505   22.646 -18.08302 36.67465 
1 1 1   23   55    2 o  119.884   14.121   53.434   11.492   53.073   23.861   53.543   13.112  106.539   30.689  118.627   16.410 -12.08804 34.80127 
1 1 1   23   55    3 o   58.293   20.942   12.561   10.759 -16.6780   21.769   22.012   12.376   49.296   23.432   72.947   22.379 -23.65097 32.40215 
1 1 1   23   55    4 o   43.977   19.566  -1.2061   11.983   20.829   23.586  -8.8729   13.912   73.181   29.741   41.761   19.500 31.42033 35.56342 
1 1 1   23   55    5 o   61.316   21.444   14.808   11.216 -35.4098   25.619   26.715   12.475   46.738   22.952   79.585   21.941 -32.84628 31.75246 
1 1 1   23   55    6 o   85.900   18.472   29.797   10.656   10.634   24.372   34.326   11.848   64.692   28.378   91.818   19.259 -27.12557 34.29613 
1 1 1   23   55    7 o   95.684   24.709   41.538   16.477   0.0000   0.0000   41.538   16.477  ?   ?    95.684   24.709 0.000000 24.70880 
1 1 1   23   55    8 o   65.339   20.932   18.520   10.713   4.4741   25.257   21.601   11.830   59.281   27.178   69.707   21.961 -10.42617 34.94201 
1 1 1   23   57    0 o   56.870   21.510   11.275   11.602  -4.8624   23.145   16.690   13.408   56.106   25.831   65.032   23.377 -8.926785 34.83838 
1 1 1   23   57    1 o  113.364   19.801   51.430   14.970   74.195   23.490   35.861   19.426  129.558   27.069   88.302   28.177 41.25594 39.07317 
1 1 1   23   57    2 o   33.551   16.096 -12.7650   10.784  -8.6390   22.860 -13.9460   12.231   53.690   25.045   35.769   17.155 17.92073 30.35678 
1 1 1   23   57    3 o  109.208   17.289   46.589   12.633   8.8439   23.800   61.393   14.906   63.882   28.032  125.300   17.679 -61.41805 33.14132 
1 1 1   23   57    4 o   97.074   19.147   38.141   12.407   29.005   23.613   41.625   14.583   78.425   30.424   99.449   21.789 -21.02392 37.42159 
1 1 1   23   57    5 o   85.454   19.776   30.311   11.465   1.2263   23.970   38.938   13.055   58.393   26.660   96.924   20.120 -38.53124 33.40031 
1 1 1   23   57    6 o   43.779   19.539  -0.3371   12.049   0.0000   0.0000  -0.3371   12.049  ?   ?    43.779   19.539 0.000000 19.53886 
1 1 1   23   59    0 o   40.182   18.252  -3.3548   11.055   13.332   21.185  -9.5981   12.959   64.654   27.379   39.279   18.492 25.37478 33.03936 
1 1 1   23   59    1 o   57.040   22.537   11.077   13.157   18.800   21.373   6.3637   16.695   68.964   28.201   55.648   23.955 13.31668 37.00189 
1 1 1   23   59    2 o  108.391   17.225   46.342   12.490   43.966   22.923   47.345   14.895   92.755   30.684  106.593   20.936 -13.83810 37.14642 
1 1 1   23   59    3 o   73.702   20.752   23.105   11.035   10.878   22.267   27.085   12.705   62.686   27.320   78.799   22.294 -16.11283 35.26243 
1 1 1   23   59    4 o   50.234   20.174   7.7375   10.713   35.283   21.135  -1.7861   12.427   82.910   29.398   43.218   19.519 39.69162 35.28745 
1 1 1   24    0    0 o  150.663   23.608   84.244   22.813   84.244   22.813   84.244   22.813  150.663   23.608  150.663   23.608 0.000000 0.000000 
1 1 1   24    0    1 o  896.907   14.241  2787.80   88.350  2787.80   88.350  2787.80   88.350  896.907   14.241  896.907   14.241 0.000000 0.000000 
1 1 1   24    0    2 o  510.974   11.648  905.366   41.146  905.366   41.146  905.366   41.146  510.974   11.648  510.974   11.648 0.000000 0.000000 
1 1 1   24    0    3 o  167.708   20.266  101.659   22.611  101.659   22.611  101.659   22.611  167.708   20.266  167.708   20.266 0.000000 0.000000 
1 1 1   24    0    4 o  105.072   33.832   48.571   21.721   48.571   21.721   48.571   21.721  105.072   33.832  105.072   33.832 0.000000 0.000000 
1 1 1   24    0    5 o  485.031   11.758  816.097   39.419  816.097   39.419  816.097   39.419  485.031   11.758  485.031   11.758 0.000000 0.000000 
1 1 1   24    0    6 o  117.886   33.297   58.488   23.525   58.488   23.525   58.488   23.525  117.886   33.297  117.886   33.297 0.000000 0.000000 
1 1 1   24    0    7 o  418.685   8.6157  607.713   24.942  607.713   24.942  607.713   24.942  418.685   8.6157  418.685   8.6157 0.000000 0.000000 
1 1 1   24    0    8 o   49.271   28.942   9.7907   16.682   9.7907   16.682   9.7907   16.682   49.271   28.942   49.271   28.942 0.000000 0.000000 
1 1 1   24    0    9 o  270.259   10.880  254.337   20.276  254.337   20.276  254.337   20.276  270.259   10.880  270.259   10.880 0.000000 0.000000 
1 1 1   24    0   10 o  342.483   9.6799  407.525   22.903  407.525   22.903  407.525   22.903  342.483   9.6799  342.483   9.6799 0.000000 0.000000 
1 1 1   24    0   11 o  344.301   9.5127  412.103   22.629  412.103   22.629  412.103   22.629  344.301   9.5127  344.301   9.5127 0.000000 0.000000 
1 1 1   24    0   12 o  239.802   15.994  203.463   26.275  203.463   26.275  203.463   26.275  239.802   15.994  239.802   15.994 0.000000 0.000000 
1 1 1   24    0   14 o  222.110   12.152  174.044   18.553  174.044   18.553  174.044   18.553  222.110   12.152  222.110   12.152 0.000000 0.000000 
1 1 1   24    0   15 o   28.929   20.342 -16.0735   15.814 -16.0735   15.814 -16.0735   15.814   28.929   20.342   28.929   20.342 0.000000 0.000000 
1 1 1   24    0   16 o   40.406   25.970   3.0247   16.601   3.0247   16.601   3.0247   16.601   40.406   25.970   40.406   25.970 0.000000 0.000000 
1 1 1   24    0   17 o   99.580   29.566   46.852   17.730   46.852   17.730   46.852   17.730   99.580   29.566   99.580   29.566 0.000000 0.000000 
1 1 1   24    0   18 o   32.931   23.184 -14.8439   20.736 -14.8439   20.736 -14.8439   20.736   32.931   23.184   32.931   23.184 0.000000 0.000000 
1 1 1   24    2    0 o  587.260   8.4274  1195.34   34.253  1193.17   48.198  1197.56   48.689  586.271   11.878  587.333   11.978 -1.062256 16.86874 
1 1 1   24    2    1 o  527.102   8.1973  962.929   29.905  960.000   42.306  965.854   42.277  525.898   11.623  527.505   11.580 -1.606812 16.40718 
1 1 1   24    2    2 o  166.336   13.842   96.832   15.790  109.073   21.912   83.610   22.774  175.925   18.263  153.033   22.146 22.89241 28.70446 
1 1 1   24    2    3 o   99.570   19.345   35.791   12.851   38.454   16.034   31.010   21.488  102.740   23.109   94.065   29.593 8.674820 37.54670 
1 1 1   24    2    4 o  160.115   21.415   91.366   23.137   91.366   23.137   0.0000   0.0000  160.115   21.415  ?   ?  0.000000 21.41467 
1 1 1   24    2    5 o  353.300   7.2593  432.653   17.751  368.390   30.900  464.306   21.686  325.328   13.723  365.879   8.5637 -40.55072 16.17601 
1 1 1   24    2    6 o   58.197   22.528   7.7582   12.926 -15.8098   25.046   16.314   15.091   59.518   27.204   71.517   24.881 -11.99956 36.86648 
1 1 1   24    2    7 o  115.993   17.946   48.233   13.942   48.878   27.028   47.999   16.274  114.773   32.534  114.984   21.231 -0.2111435 38.84852 
1 1 1   24    2    8 o  166.641   11.195   97.110   12.837   61.194   18.068  133.722   18.242  130.109   20.762  195.241   13.584 -65.13185 24.81109 
1 1 1   24    2    9 o   80.690   21.753   23.969   12.425   11.728   17.347   36.862   17.804   67.995   26.161   99.376   25.695 -31.38083 36.66901 
1 1 1   24    2   10 o  203.971   9.6581  145.088   13.634  128.703   19.161  161.893   19.405  190.633   14.634  214.376   13.142 -23.74217 19.66919 
1 1 1   24    2   11 o  235.551   9.5042  193.987   15.494  159.902   25.870  213.055   19.349  210.451   17.932  246.321   11.350 -35.87019 21.22172 
1 1 1   24    2   12 o  205.365   9.1651  147.800   13.027  141.360   18.359  154.330   18.487  199.014   13.407  208.214   12.892 -9.199615 18.59978 
1 1 1   24    2   13 o  211.514   10.232  157.970   14.979  153.222   18.693  166.488   25.037  206.606   13.141  212.773   17.147 -6.167297 21.60369 
1 1 1   24    2   14 o  110.117   16.348   45.483   12.081   39.235   17.495   51.177   16.703   97.076   25.653  113.607   22.037 -16.53147 33.81915 
1 1 1   24    2   15 f   57.746   21.530   11.643   11.537   0.2062   16.024   23.955   16.626   51.464   22.774   75.555   26.125 -24.09130 34.65826 
1 1 1   24    2   16 o  120.954   14.996   55.682   12.284   45.291   17.236   66.410   17.513  101.216   24.799  127.538   20.538 -26.32172 32.19915 
1 1 1   24    2   17 o  150.839   13.457   86.217   13.901   93.800   17.011   70.976   24.118  154.527   16.144  118.302   29.544 36.22442 33.66746 
1 1 1   24    2   18 o   59.006   21.307   15.603   11.153   24.969   15.579   5.7549   15.974   69.784   25.184   51.164   22.685 18.62046 33.89507 
1 1 1   24    4    0 o  339.574   7.2736  399.513   17.095  394.585   28.922  402.158   21.193  337.093   12.397  340.590   8.9904 -3.496948 15.31362 
1 1 1   24    4    1 o  366.473   8.4511  465.520   21.435  475.366   30.119  455.415   30.513  370.047   11.760  362.157   12.173 7.889435 16.92606 
1 1 1   24    4    2 o  441.405   5.9057  674.810   18.042  682.839   25.461  666.713   25.570  443.845   8.2883  438.561   8.4240 5.284058 11.81776 
1 1 1   24    4    3 o  175.916   9.6304  107.664   11.681   90.287   16.804  123.911   16.249  160.327   15.330  188.439   12.530 -28.11211 19.79945 
1 1 1   24    4    4 o   68.914   20.232   16.905   10.283   35.399   14.683  -0.8998   14.407   98.572   22.071   51.869   22.289 46.70286 31.36741 
1 1 1   24    4    5 o  226.840   8.9750  178.517   14.091  159.887   17.068  218.390   24.970  214.192   11.556  249.981   14.494 -35.78886 18.53722 
1 1 1   24    4    6 o  112.870   15.465   45.269   11.763   38.902   17.229   50.829   16.099  102.916   24.535  118.726   20.323 -15.80920 31.85899 
1 1 1   24    4    7 o  207.283   10.666  149.777   15.251  151.122   28.207  149.222   18.129  206.354   20.001  206.577   12.742 -0.2229919 23.71517 
1 1 1   24    4    8 o  124.999   17.527   55.905   14.746   30.985   26.984   66.516   17.608   95.881   33.276  136.140   19.222 -40.25848 38.42882 
1 1 1   24    4    9 o  234.684   8.7661  191.507   14.239  195.930   20.089  187.042   20.185  236.520   12.314  230.997   12.674 5.522949 17.67097 
1 1 1   24    4   10 f  231.055   9.7855  186.240   15.649  213.219   25.980  170.878   19.604  245.333   15.378  220.306   12.913 25.02687 20.08080 
1 1 1   24    4   11 o   54.313   21.617   6.3396   12.187   9.9577   17.449   2.8944   17.028   65.101   25.881   58.072   24.567 7.028893 35.68379 
1 1 1   24    4   12 o  267.466   7.6812  249.792   14.219  268.724   20.271  231.454   19.951  276.304   10.600  256.154   11.253 20.14954 15.45972 
1 1 1   24    4   13 o   43.871   19.403  -2.0652   11.615   1.7744   16.607  -5.7427   16.252   55.191   23.824   49.126   22.242 6.065273 32.59269 
1 1 1   24    4   14 o  105.986   19.631   43.583   13.870   39.338   17.132   51.659   23.629   97.397   25.217  108.197   30.332 -10.80024 39.44530 
1 1 1   24    4   15 o   84.394   20.778   28.930   12.055   24.141   16.861   33.938   17.243   75.730   26.303   88.177   26.280 -12.44720 37.18139 
1 1 1   24    4   16 o  108.008   22.741   49.638   16.463   49.638   16.463   0.0000   0.0000  108.008   22.741  ?   ?  0.000000 22.74128 
1 1 1   24    4   17 o   81.954   20.535   28.984   11.624   50.931   16.420   6.9360   16.458  107.208   22.830   54.445   23.609 52.76307 32.84159 
1 1 1   24    4   18 o   53.350   20.724   11.538   10.968   7.9802   15.612   15.005   15.411   52.538   22.887   58.718   23.972 -6.179962 33.14348 
1 1 1   24    6    0 o  195.441   10.262  132.866   13.833  177.756   23.500  109.068   17.111  225.550   15.142  176.572   14.119 48.97792 20.70354 
1 1 1   24    6    1 f  404.919   5.9961  567.868   16.804  571.558   24.243  564.455   23.313  406.051   8.6264  403.543   8.3470 2.508453 12.00363 
1 1 1   24    6    2 o  469.140   8.1083  762.859   26.328   0.0000   0.0000  762.859   26.328  ?   ?   469.140   8.1083 0.000000 8.108320 
1 1 1   24    6    3 o  165.257   11.486   95.285   13.056   89.376   16.399  105.512   21.574  159.546   15.028  172.921   18.305 -13.37509 23.68377 
1 1 1   24    6    4 o  156.255   10.396   85.124   11.179   82.424   16.080   87.649   15.552  153.059   15.388  158.042   14.375 -4.983047 21.05791 
1 1 1   24    6    5 o  182.934   9.3645  116.434   11.817  111.439   17.193  120.906   16.268  178.348   14.042  186.011   12.713 -7.663116 18.94188 
1 1 1   24    6    6 f   83.788   19.776   25.613   11.283   33.226   16.161   18.373   15.761   95.170   24.416   74.724   25.451 20.44608 35.26844 
1 1 1   24    6    7 o  309.520   6.9731  332.210   14.938  311.729   21.699  350.662   20.595  299.443   10.470  317.738   9.3653 -18.29535 14.04729 
1 1 1   24    6    8 o   99.826   21.713   36.608   14.575   38.483   28.716   35.957   16.915  103.944   34.341   98.535   24.817 5.408401 42.36976 
1 1 1   24    6    9 o  538.828   8.6895  1009.57   32.406   0.0000   0.0000  1009.57   32.406  ?   ?   538.828   8.6895 0.000000 8.689489 
1 1 1   24    6   10 o  136.701   20.205   68.228   18.541   64.829   30.383   70.244   23.403  128.317   33.757  136.715   25.676 -8.398926 42.41231 
1 1 1   24    6   11 o  129.153   14.139   59.743   12.432   72.779   17.524   46.535   17.640  141.179   18.370  110.464   23.777 30.71568 30.04665 
1 1 1   24    6   12 o  236.946   8.2868  196.363   13.590  177.839   19.508  213.830   18.943  223.593   12.658  246.222   11.116 -22.62839 16.84572 
1 1 1   24    6   13 o   74.001   21.562   21.269   11.718   44.892   16.612  -2.1279   16.532  106.671   23.165   52.042   23.076 54.62905 32.69738 
1 1 1   24    6   14 o   68.429   21.797   18.307   11.628   18.996   16.476   17.623   16.414   70.958   25.855   69.337   25.715 1.621483 36.46511 
1 1 1   24    6   15 o   56.484   25.840  -4.1839   22.662  -4.1839   22.662   0.0000   0.0000   56.484   25.840  ?   ?  0.000000 25.84019 
1 1 1   24    6   16 o   39.235   18.053  -5.1156   11.282  -1.1743   15.697  -9.3271   16.227   48.882   22.020   44.568   20.890 4.314339 30.35260 
1 1 1   24    6   17 o  131.079   13.041   64.972   11.674   54.990   16.433   75.142   16.587  112.397   21.912  136.071   18.059 -23.67410 28.39433 
1 1 1   24    6   18 o   50.190   20.328   9.0710   10.977 -12.1615   15.390   31.055   15.660   39.773   19.119   77.174   25.353 -37.40049 31.75448 
1 1 1   24    8    0 o  516.966   6.7656  925.846   24.207  899.024   40.653  940.581   30.131  508.899   11.542  520.916   8.3574 -12.01666 14.25012 
1 1 1   24    8    1 o  168.073   10.249   98.364   11.866   99.767   17.558   97.184   16.098  168.652   15.206  166.598   14.093 2.054276 20.73251 
1 1 1   24    8    2 o  225.509   7.8295  176.256   12.220  209.022   17.782  146.932   16.822  245.429   10.468  205.352   11.887 40.07729 15.83909 
1 1 1   24    8    3 o  115.184   14.048   46.830   10.967   63.272   16.136   32.713   14.951  133.482   17.918   94.695   23.034 38.78679 29.18241 
1 1 1   24    8    4 f  374.204   6.0295  485.095   15.616  473.560   22.225  496.341   21.945  369.515   8.6904  378.328   8.3810 -8.812622 12.07332 
1 1 1   24    8    5 o  181.474   9.2881  114.587   11.627   85.887   16.462  143.154   16.424  156.186   15.430  202.591   11.764 -46.40511 19.40317 
1 1 1   24    8    6 o  380.984   9.0570  503.841   23.882  503.841   23.882   0.0000   0.0000  380.984   9.0570  ?   ?  0.000000 9.056983 
1 1 1   24    8    7 o  212.115   9.9335  156.366   14.583  189.073   24.775  139.025   18.039  232.035   15.516  199.264   13.154 32.77039 20.34193 
1 1 1   24    8    8 o  242.841   9.5051  205.035   15.976  225.805   26.933  193.761   19.843  253.425   15.429  235.401   12.221 18.02373 19.68291 
1 1 1   24    8    9 o  343.291   7.8486  409.487   18.648  427.854   32.293  400.298   22.841  349.563   13.348  339.046   9.7338 10.51639 16.51977 
1 1 1   24    8   10 o   79.989   24.537   23.558   14.879   40.780   26.834   15.912   17.880  103.463   33.127   72.348   26.837 31.11427 42.63346 
1 1 1   24    8   11 o   68.151   23.983   15.765   14.042  -7.0439   25.006   26.269   16.970   62.033   27.882   83.442   26.305 -21.40928 38.33217 
1 1 1   24    8   12 o  202.005   9.3730  143.193   13.104  150.343   18.722  136.325   18.349  205.184   13.254  195.152   13.671 10.03177 19.04144 
1 1 1   24    8   13 o  149.322   12.055   79.915   12.353   76.826   17.231   83.183   17.718  143.601   17.712  149.648   17.434 -6.047028 24.85269 
1 1 1   24    8   14 o   26.123   13.185 -35.2834   11.325 -21.6080   15.799 -49.7368   16.242   39.207   18.975   31.143   15.727 8.064642 24.64528 
1 1 1   24    8   15 o   45.503   20.534  -3.1050   13.721  -6.1810   16.584   3.5678   24.427   47.754   21.941   62.401   27.837 -14.64781 35.44452 
1 1 1   24    8   16 o   47.975   21.102   1.4630   13.557   7.7231   15.988 -14.5561   25.575   56.075   23.768   53.038   25.264 3.036457 34.68718 
1 1 1   24    8   17 o   48.109   20.105   5.8742   11.187   0.3743   15.619   11.668   16.031   48.531   21.904   57.960   24.132 -9.428787 32.59000 
1 1 1   24    8   18 o   60.456   22.602   17.059   12.731 -15.8342   22.252   33.064   15.522   45.717   22.219   79.754   25.159 -34.03699 33.56566 
1 1 1   24   10    0 o  212.811   9.5447  157.074   14.058  128.195   23.540  173.083   17.527  190.880   18.032  222.998   11.394 -32.11861 21.33049 
1 1 1   24   10    1 o   80.729   21.767   23.588   12.439   39.522   21.367   15.418   15.299  104.178   28.712   70.794   25.021 33.38383 38.08474 
1 1 1   24   10    2 o  252.589   7.3931  221.102   12.925  241.314   18.801  202.993   17.797  263.704   10.301  241.839   10.632 21.86507 14.80417 
1 1 1   24   10    3 o  231.778   7.6169  186.206   12.219  203.380   17.410  169.539   17.152  242.061   10.392  220.664   11.268 21.39719 15.32885 
1 1 1   24   10    4 o  343.702   6.1652  409.275   14.666  401.247   21.186  416.662   20.322  340.091   9.0007  346.611   8.4712 -6.520264 12.36018 
1 1 1   24   10    5 o  118.888   14.071   49.917   11.354   50.353   16.215   49.498   15.903  118.134   20.580  117.152   20.352 0.9827271 28.94376 
1 1 1   24   10    6 o  321.001   6.7635  357.216   15.026  334.215   21.472  379.292   21.036  310.168   10.002  330.523   9.1956 -20.35461 13.58695 
1 1 1   24   10    7 o  134.911   15.483   64.471   14.195   85.268   24.634   54.131   17.369  153.306   24.004  122.157   21.319 31.14939 32.10485 
1 1 1   24   10    8 o  325.293   13.498  369.805   30.390  369.805   30.390   0.0000   0.0000  325.293   13.498  ?   ?  0.000000 13.49831 
1 1 1   24   10    9 o  313.451   7.1216  341.212   15.450  351.840   22.458  331.664   21.288  317.703   10.214  308.512   9.9696 9.190491 14.27269 
1 1 1   24   10   10 o   32.857   16.053 -21.9935   12.051 -30.2541   17.122 -13.8834   16.965   39.313   19.191   46.579   21.677 -7.266026 28.95124 
1 1 1   24   10   11 o  136.980   15.815   67.802   14.718   66.780   25.861   68.291   17.899  129.750   29.470  136.002   19.580 -6.252182 35.38145 
1 1 1   24   10   12 o  157.401   13.514   88.904   14.579   82.585   25.760   91.882   17.684  144.597   26.724  158.766   16.326 -14.16887 31.31676 
1 1 1   24   10   13 o  138.631   13.192   69.485   12.505   65.670   17.906   73.116   17.472  130.995   20.416  139.445   18.565 -8.450165 27.59445 
1 1 1   24   10   14 o   63.735   24.820   13.199   15.761   25.400   21.648  -0.5624   22.991   79.321   29.509   60.026   26.875 19.29520 39.91265 
1 1 1   24   10   15 o  110.135   15.593   46.015   11.554   47.349   16.531   44.741   16.154  106.517   23.090  103.410   23.148 3.107086 32.69499 
1 1 1   24   10   16 o  124.030   14.067   58.144   11.862   54.932   16.981   61.205   16.577  113.663   22.383  122.072   20.336 -8.408310 30.24119 
1 1 1   24   10   17 o   77.195   25.611   29.042   15.965   19.341   21.403   41.210   23.972   66.324   27.771   84.859   31.145 -18.53428 41.72873 
1 1 1   24   10   18 o   36.602   17.146  -5.5006   10.902   5.9091   15.500 -16.6707   15.337   50.342   22.333   37.536   18.288 12.80581 28.86538 
1 1 1   24   12    0 o  234.572   9.3705  190.845   15.213  210.195   26.619  181.460   18.539  245.172   15.771  228.282   11.774 16.89076 19.68120 
1 1 1   24   12    2 o  211.380   8.4334  154.925   12.338  162.585   17.739  147.749   17.171  216.008   11.912  205.861   12.105 10.14673 16.98299 
1 1 1   24   12    3 o  142.793   11.347   71.269   11.122   68.694   16.152   73.590   15.336  139.276   17.117  144.492   15.582 -5.216599 23.14662 
1 1 1   24   12    4 o  118.029   14.034   49.185   11.240   62.390   16.101   36.631   15.698  132.401   18.040  100.080   23.128 32.32137 29.33140 
1 1 1   24   12    5 f  396.946   6.1518  546.005   16.901  522.426   23.894  569.615   23.909  387.994   8.8978  405.185   8.5257 -17.19104 12.32308 
1 1 1   24   12    6 o  144.055   14.034   73.054   13.814   42.893   23.761   88.454   16.978  107.805   30.485  158.335   15.700 -50.52966 34.29065 
1 1 1   24   12    7 o  433.769   7.0525  652.649   21.173  662.927   36.810  647.568   25.883  436.160   12.194  431.822   8.6602 4.338409 14.95637 
1 1 1   24   12    8 o  280.871   8.6615  274.173   16.837  284.780   29.264  268.923   20.586  284.686   14.904  277.855   10.705 6.830414 18.34991 
1 1 1   24   12    9 o  417.458   6.3321  604.882   18.295  609.105   26.416  600.989   25.363  418.241   9.1256  415.530   8.8190 2.710785 12.69057 
1 1 1   24   12   10 o  110.775   16.700   44.545   12.406   42.351   17.645   46.690   17.445  105.497   24.616  111.261   23.397 -5.763924 33.96135 
1 1 1   24   12   11 o   59.671   22.008   10.984   11.990   27.241   16.690  -6.3552   17.236   84.368   26.005   51.136   23.051 33.23244 34.75103 
1 1 1   24   12   12 o  138.468   13.332   68.941   12.619   48.780   18.449   86.665   17.298  111.293   24.606  153.944   16.492 -42.65104 29.62135 
1 1 1   24   12   13 o  127.533   20.611   62.576   17.572   51.415   25.332   72.927   24.395  108.398   31.736  133.100   27.395 -24.70210 41.92461 
1 1 1   24   12   14 o   50.166   21.346   3.1208   12.980 -17.0326   16.139   40.039   21.844   41.720   19.927   94.798   29.839 -53.07798 35.88079 
1 1 1   24   12   15 o  115.543   14.853   50.285   11.603   37.451   16.345   63.321   16.474   92.862   24.915  126.448   19.447 -33.58619 31.60561 
1 1 1   24   12   16 o  126.098   15.784   61.480   13.474  104.439   24.201   42.182   16.220  156.330   23.060   97.325   24.186 59.00504 33.41709 
1 1 1   24   12   17 o   48.401   20.158   6.3526   11.192   16.808   15.713  -4.4121   15.944   62.452   24.644   45.575   21.143 16.87714 32.47095 
1 1 1   24   12   18 o  108.886   18.786   51.526   13.646   43.891   16.167   70.439   25.446   92.753   24.732  104.835   32.077 -12.08253 40.50413 
1 1 1   24   14    0 o  601.341   7.0781  1253.09   29.459  1204.39   49.859  1279.21   36.514  588.737   12.236  607.365   8.6862 -18.62848 15.00585 
1 1 1   24   14    1 o  180.137   11.527  113.165   14.296  138.829   25.500  101.400   17.265  198.458   18.788  170.023   14.820 28.43494 23.92968 
1 1 1   24   14    2 o  486.174   5.8818  818.779   19.792  796.243   27.758  842.083   28.227  479.190   8.3695  492.802   8.2759 -13.61179 11.77027 
1 1 1   24   14    3 o  317.070   6.5322  348.363   14.335  333.884   20.879  361.274   19.716  310.161   9.7260  322.716   8.8273 -12.55460 13.13457 
1 1 1   24   14    4 o  412.790   6.0086  590.386   17.166  592.899   24.821  588.083   23.767  413.394   8.6751  411.751   8.3399 1.642853 12.03379 
1 1 1   24   14    5 o  262.914   8.4496  239.850   15.375  236.195   27.040  241.597   18.691  259.711   15.108  263.704   10.241 -3.993225 18.25205 
1 1 1   24   14    6 o  251.553   9.1861  219.768   15.993  240.244   28.359  210.219   19.367  261.650   15.733  245.792   11.385 15.85791 19.42018 
1 1 1   24   14    7 o  180.568   10.703  113.868   13.316  113.390   19.280  114.304   18.415  179.255   15.698  180.151   14.903 -0.8958282 21.64558 
1 1 1   24   14    8 o  263.538   9.3793  241.643   17.108  245.091   21.045  234.927   29.375  265.058   11.472  257.888   16.545 7.170593 20.13298 
1 1 1   24   14    9 o  449.630   8.9720  704.164   27.920  704.164   27.920   0.0000   0.0000  449.630   8.9720  ?   ?  0.000000 8.971998 
1 1 1   24   14   10 o  215.573   9.0690  162.249   13.531  165.535   19.400  159.137   18.882  216.368   13.016  212.164   12.920 4.203354 18.33943 
1 1 1   24   14   11 o  119.490   15.219   51.757   12.300   66.290   17.492   37.542   17.300  133.698   19.476   97.995   25.325 35.70280 31.94768 
1 1 1   24   14   12 o  306.819   8.1560  329.664   17.320  326.674   21.322  335.463   29.696  304.456   10.119  305.991   14.022 -1.535004 17.29156 
1 1 1   24   14   13 f   97.428   20.814   37.139   13.609   20.010   23.351   45.951   16.748   76.327   30.067  107.263   23.232 -30.93612 37.99632 
1 1 1   24   14   14 o   87.603   22.148   31.281   13.437   46.239   23.572   24.081   16.353  100.518   30.893   76.410   25.925 24.10786 40.32951 
1 1 1   24   14   15 o   46.495   19.742   3.1324   11.061   10.948   15.893  -4.2099   15.404   59.880   24.383   46.972   21.417 12.90736 32.45367 
1 1 1   24   14   16 o   44.012   19.288   1.1107   11.235  -2.8395   16.196   4.7751   15.599   47.917   21.892   52.711   22.921 -4.793762 31.69573 
1 1 1   24   14   17 o   62.698   21.568   17.397   11.324   6.1655   16.203   28.120   15.833   52.797   23.150   75.375   25.509 -22.57798 34.44746 
1 1 1   24   14   18 o   39.282   17.990  -1.6250   11.027   6.0532   15.764  -8.9812   15.430   50.034   22.338   40.717   19.458 9.316765 29.62466 
1 1 1   24   16    0 o  566.314   8.5695  1112.22   33.588  1095.12   47.210  1129.76   47.798  561.336   12.152  570.152   12.113 -8.815002 17.15749 
1 1 1   24   16    1 o  197.618   10.766  136.010   14.669  137.268   25.501  135.387   17.934  197.241   18.912  196.844   13.241 0.3972626 23.08647 
1 1 1   24   16    2 o  158.503   10.992   87.680   11.984   74.446   17.202  100.160   16.704  144.964   17.499  168.980   14.421 -24.01521 22.67527 
1 1 1   24   16    3 o  213.757   8.6858  158.515   12.850  133.608   18.529  181.593   17.836  195.400   13.790  228.594   11.273 -33.19449 17.81132 
1 1 1   24   16    4 o  335.860   7.4136  391.132   17.233  336.976   29.826  418.274   21.114  310.977   13.857  347.179   8.7872 -36.20181 16.40862 
1 1 1   24   16    5 o  367.600   6.5326  468.422   16.620  481.918   24.761  457.355   22.422  372.491   9.6044  362.965   8.9256 9.526001 13.11148 
1 1 1   24   16    6 o  273.163   7.8492  258.941   14.840  273.714   21.685  245.929   20.352  280.447   11.172  265.846   11.061 14.60037 15.72114 
1 1 1   24   16    7 o  132.589   14.082   62.150   12.725   45.271   18.631   76.907   17.421  110.478   24.955  146.897   17.478 -36.41886 30.46725 
1 1 1   24   16    8 o  233.729   8.4834  189.956   13.723  191.186   19.978  188.858   18.884  233.532   12.405  232.247   11.786 1.284668 17.11147 
1 1 1   24   16    9 o  204.188   9.6721  145.470   13.669  112.069   19.858  175.543   18.843  177.173   16.380  223.436   12.231 -46.26277 20.44242 
1 1 1   24   16   10 o  240.945   8.2485  202.500   13.755  215.529   19.826  190.408   19.100  247.632   11.568  232.357   11.917 15.27541 16.60812 
1 1 1   24   16   11 o  222.233   10.260  173.604   15.781  170.179   19.223  180.683   27.636  218.765   12.752  222.475   18.105 -3.709763 22.14508 
1 1 1   24   16   12 o  204.334   9.1636  146.781   12.959  143.034   18.500  150.392   18.159  199.498   13.478  204.917   12.869 -5.419388 18.63508 
1 1 1   24   16   13 o  128.560   16.444   61.624   14.296   61.414   17.470   62.049   24.873  125.770   20.797  119.641   30.073 6.128944 36.56321 
1 1 1   24   16   14 o   49.044   20.416   4.4141   11.472   5.1667   16.298   3.6751   16.151   56.013   23.878   54.590   23.530 1.422680 33.52287 
1 1 1   24   16   15 o  100.018   23.632   42.886   16.099   0.0000   0.0000   42.886   16.099  ?   ?   100.018   23.632 0.000000 23.63217 
1 1 1   24   16   16 o   87.559   19.475   31.926   11.497   37.467   16.791   27.037   15.774   89.342   25.747   76.212   25.464 13.13054 36.21195 
1 1 1   24   16   17 o   68.215   21.075   20.969   10.954   9.2577   15.542   32.527   15.441   54.501   23.277   81.148   25.013 -26.64777 34.16857 
1 1 1   24   18    0 o  178.861   10.454  111.464   12.884   86.882   18.257  135.853   18.185  156.827   17.098  197.129   13.409 -40.30273 21.72836 
1 1 1   24   18    1 o  433.507   7.0516  651.373   21.157  611.219   35.593  673.313   26.310  419.258   12.266  440.573   8.6284 -21.31522 14.99683 
1 1 1   24   18    2 o  358.924   6.5635  446.453   16.305  404.434   22.972  489.110   23.146  341.324   9.7243  375.454   8.9072 -34.12927 13.18709 
1 1 1   24   18    3 o  195.213   10.570  132.781   14.227  123.073   24.888  137.494   17.340  186.337   19.591  198.362   12.697 -12.02539 23.34574 
1 1 1   24   18    4 o  520.604   6.0936  939.254   21.956  881.833   30.787  998.681   31.321  504.046   8.8252  536.471   8.4355 -32.42526 12.20830 
1 1 1   24   18    5 o  419.243   6.3122  609.280   18.316  581.352   26.149  636.180   25.663  409.127   9.2346  428.078   8.6618 -18.95120 12.66113 
1 1 1   24   18    6 o  222.018   9.0754  171.264   13.945  168.466   20.275  173.776   19.212  219.276   13.424  222.897   12.504 -3.620987 18.34526 
1 1 1   24   18    7 o  148.828   12.645   77.906   12.901   90.811   18.869   66.576   17.679  159.710   17.350  135.966   19.331 23.74391 25.97523 
1 1 1   24   18    8 o   32.092   15.759 -24.1139   12.075 -19.2426   17.591 -28.4536   16.604   45.108   21.330   39.244   19.100 5.864285 28.63227 
1 1 1   24   18    9 o  240.653   9.6725  202.236   16.110  193.374   20.059  218.342   27.042  234.328   12.412  247.710   15.856 -13.38206 20.13683 
1 1 1   24   18   10 f  126.893   16.881   58.615   14.458   37.570   17.736  100.293   24.960   98.351   25.752  163.794   22.621 -65.44314 34.27683 
1 1 1   24   18   11 o   70.340   21.898   18.576   11.801   44.657   16.965  -5.8755   16.426  107.208   23.511   49.795   22.470 57.41267 32.52154 
1 1 1   24   18   12 o   51.492   21.105   4.9912   12.004  -8.7101   17.513   17.133   16.486   49.186   22.580   69.993   25.808 -20.80688 34.29109 
1 1 1   24   18   13 o   53.613   21.139   7.8267   11.552   20.557   16.315  -4.9736   16.360   72.849   25.829   49.134   22.274 23.71552 34.10643 
1 1 1   24   18   14 o   50.110   21.276   3.6914   12.847 -10.0098   23.138   9.7977   15.447   54.254   25.271   59.134   24.055 -4.880386 34.88879 
1 1 1   24   18   15 o  119.513   14.148   53.761   11.475   49.484   16.636   57.643   15.850  107.904   22.980  119.446   19.871 -11.54267 30.37973 
1 1 1   24   18   16 o   58.236   22.489   13.099   12.857   4.2068   24.120   16.629   15.196   58.997   26.861   63.238   24.442 -4.241119 36.31700 
1 1 1   24   18   17 o   53.436   21.701   10.547   12.547   21.844   22.403   5.3841   15.144   66.333   28.126   50.633   22.286 15.70031 35.88543 
1 1 1   24   20    0 o   40.072   18.502  -9.5497   11.999 -38.3738   17.403   16.570   16.566   37.437   18.487   73.258   26.021 -35.82023 31.91949 
1 1 1   24   20    1 o  206.020   12.967  148.310   18.395   0.0000   0.0000  148.310   18.395  ?   ?   206.020   12.967 0.000000 12.96720 
1 1 1   24   20    2 o   93.414   22.005   31.930   13.993 -46.3805   24.183   71.345   17.156   46.000   22.530  141.687   17.894 -95.68620 28.77188 
1 1 1   24   20    3 o  158.908   11.590   88.294   12.659   90.675   18.190   86.057   17.628  160.189   16.650  156.027   16.577 4.162292 23.49533 
1 1 1   24   20    4 o  300.915   7.2575  314.037   15.115  307.210   21.841  320.313   20.939  297.258   10.616  303.615   9.9647 -6.357025 14.55996 
1 1 1   24   20    5 o  121.800   15.790   52.764   12.998   35.146   18.863   68.690   17.934   97.622   27.007  138.458   19.235 -40.83591 33.15639 
1 1 1   24   20    6 o  330.501   7.0630  379.005   16.156  388.486   23.442  370.429   22.297  334.140   10.137  326.328   9.8722 7.811981 14.14972 
1 1 1   24   20    7 o  369.089   6.5763  472.734   16.799  450.127   24.235  493.645   23.308  359.559   9.7385  376.719   8.9393 -17.15994 13.21921 
1 1 1   24   20    8 o  226.835   8.6721  179.167   13.615  180.164   19.351  178.190   19.159  226.412   12.396  225.180   12.340 1.231903 17.49104 
1 1 1   24   20    9 o  168.091   13.095  100.138   15.114   91.153   18.844  116.341   25.307  158.880   17.423  178.185   20.919 -19.30519 27.22401 
1 1 1   24   20   10 o  191.797   10.008  129.382   13.239  129.527   19.032  129.246   18.428  190.214   14.568  190.205   14.099 0.8331299E-02 20.27298 
1 1 1   24   20   11 o  153.503   11.913   83.981   12.557   79.619   18.260   87.895   17.296  146.555   18.409  155.124   16.357 -8.568604 24.62555 
1 1 1   24   20   12 o  104.965   17.581   41.496   12.321   62.041   17.399   20.833   17.449  127.185   20.460   74.505   26.680 52.67931 33.62170 
1 1 1   24   20   13 o  106.962   18.293   43.942   13.056   40.878   23.224   45.357   15.787   95.623   30.840  106.382   22.160 -10.75861 37.97626 
1 1 1   24   20   14 o   39.235   18.082  -6.0663   11.381   2.8694   16.049 -15.1051   16.141   53.363   23.227   42.186   20.088 11.17781 30.70866 
1 1 1   24   20   15 o   73.677   21.118   22.913   11.324   6.9183   16.205   38.178   15.830   55.692   23.777   92.862   24.336 -37.16982 34.02341 
1 1 1   24   20   16 o   75.541   20.742   24.812   11.176   25.937   16.552   23.869   15.150   73.568   26.023   71.514   24.927 2.054207 36.03547 
1 1 1   24   20   17 o   28.843   14.462 -29.2854   12.456 -39.0829   21.573 -24.3859   15.256   38.601   19.307   34.835   17.221 3.765327 25.87133 
1 1 1   24   22    0 o  183.156   12.017  117.202   15.149  114.585   26.705  118.443   18.396  179.100   22.007  183.718   14.587 -4.618378 26.40257 
1 1 1   24   22    1 o  168.037   16.135   99.549   18.534   0.0000   0.0000   99.549   18.534  ?   ?   168.037   16.135 0.000000 16.13487 
1 1 1   24   22    2 o   61.753   22.539   11.027   12.529   8.9370   18.069   12.963   17.389   66.584   26.378   69.878   26.356 -3.294144 37.28913 
1 1 1   24   22    3 o  293.319   7.3855  298.406   14.993  304.660   21.668  292.661   20.768  296.026   10.576  290.168   10.341 5.858307 14.79143 
1 1 1   24   22    4 o  125.257   15.095   55.618   12.823   67.114   18.174   44.221   18.095  136.725   19.780  109.511   24.488 27.21326 31.47861 
1 1 1   24   22    5 o  223.713   9.1612  173.930   14.185  182.140   20.588  166.512   19.571  228.061   13.098  218.039   13.029 10.02217 18.47445 
1 1 1   24   22    6 o  277.185   7.6343  266.801   14.646  275.765   21.470  259.000   20.029  281.276   11.029  272.664   10.614 8.611420 15.30638 
1 1 1   24   22    7 o  260.780   7.8968  236.414   14.253  216.453   20.489  255.129   19.840  248.813   11.898  270.414   10.601 -21.60182 15.93542 
1 1 1   24   22    8 o   50.221   21.679  -0.4971   13.751   2.0760   16.966  -5.4244   23.478   57.686   24.469   61.697   27.422 -4.010948 36.75212 
1 1 1   24   22    9 o  157.357   11.763   87.558   12.718   84.628   18.022   90.464   17.950  152.796   17.349  158.316   16.631 -5.520584 24.03243 
1 1 1   24   22   10 o  217.787   9.0920  166.152   13.705  213.230   19.901  123.688   18.900  245.744   11.701  185.512   14.845 60.23251 18.90170 
1 1 1   24   22   11 o   59.493   21.971   11.389   11.958  -3.0555   17.431   24.228   16.434   52.948   23.575   79.074   25.972 -26.12535 35.07654 
1 1 1   24   22   12 o  145.136   14.168   76.819   14.051   55.707   25.227   86.314   16.918  112.768   31.245  152.726   16.255 -39.95852 35.22017 
1 1 1   24   22   13 o   57.165   21.224   11.118   11.188   15.888   16.345   6.9122   15.347   66.797   25.466   56.747   23.618 10.05024 34.73222 
1 1 1   24   22   14 o   62.862   21.462   15.607   11.208   13.004   15.830   18.224   15.870   62.100   24.662   67.847   25.261 -5.747768 35.30327 
1 1 1   24   22   15 o   81.628   20.010   27.804   11.217   21.440   15.625   34.572   16.113   69.951   25.225   86.997   25.265 -17.04671 35.70201 
1 1 1   24   22   16 o   37.950   17.526  -4.5730   10.773  -0.0593   15.346  -8.9590   15.127   47.794   21.628   42.068   19.858 5.725945 29.36208 
1 1 1   24   22   17 o   40.165   18.336  -1.5548   11.334  -6.8117   15.623   4.2852   16.467   42.532   20.109   50.055   22.550 -7.522152 30.21394 
1 1 1   24   24    0 f  305.198   8.7701  323.338   18.525  326.390   32.687  321.894   22.485  305.245   15.523  304.288   10.676 0.9565125 18.84045 
1 1 1   24   24    1 o  164.986   12.246   95.290   13.884   98.828   20.640   92.366   18.764  166.920   18.159  161.549   17.039 5.371429 24.90105 
1 1 1   24   24    2 o  378.050   7.7289  495.854   20.223  393.317   34.767  548.286   24.861  335.524   14.972  397.348   9.0401 -61.82428 17.48916 
1 1 1   24   24    3 o  139.609   13.675   68.658   13.044   66.366   18.723   70.819   18.182  135.738   20.574  140.650   19.177 -4.911652 28.12593 
1 1 1   24   24    4 o  253.090   8.4811  222.463   14.856  203.622   21.060  241.125   20.960  241.282   12.655  263.095   11.511 -21.81310 17.10691 
1 1 1   24   24    5 o   92.192   20.579   31.255   12.799   20.328   17.980   42.479   18.222   78.364   27.165  106.858   25.070 -28.49481 36.96544 
1 1 1   24   24    6 o  179.920   10.497  113.232   13.015   89.392   18.788  135.226   18.045  158.205   17.449  196.055   13.379 -37.85075 21.98733 
1 1 1   24   24    7 o  183.881   10.583  118.486   13.412  138.725   18.951   98.179   18.983  198.157   13.906  165.707   16.783 32.45042 21.79571 
1 1 1   24   24    8 o  104.966   20.223   40.952   14.159   44.062   17.438   34.932   24.257  107.720   24.003   96.054   31.554 11.66640 39.64627 
1 1 1   24   24    9 o  120.749   14.542   52.536   11.909   45.244   16.638   60.196   17.053  108.930   22.801  127.284   20.019 -18.35399 30.34167 
1 1 1   24   24   10 o  108.567   16.719   43.470   12.159   38.735   17.565   47.826   16.849   98.910   25.497  111.400   22.625 -12.48969 34.08778 
1 1 1   24   24   11 o   83.732   20.979   27.324   12.132   5.5491   17.569   47.173   16.774   59.537   25.057  109.617   22.850 -50.08016 33.91179 
1 1 1   24   24   12 f   48.766   20.198   4.1215   11.146   12.984   16.258  -3.7397   15.312   64.350   25.166   48.452   21.794 15.89836 33.29171 
1 1 1   24   24   13 o   79.046   20.320   25.117   11.178   18.806   15.624   31.734   16.000   69.423   25.195   86.360   25.204 -16.93771 35.63743 
1 1 1   24   24   14 o   40.551   18.428  -3.7382   11.285   2.9209   15.819 -10.6381   16.103   52.574   22.967   44.054   20.701 8.520542 30.91959 
1 1 1   24   24   15 o   45.530   20.998  -4.8667   15.388   0.0000   0.0000  -4.8667   15.388  ?   ?    45.530   20.998 0.000000 20.99828 
1 1 1   24   24   16 o   77.892   21.707   27.427   12.139   29.962   15.555   23.478   19.413   78.052   25.246   68.961   27.335 9.090240 37.20991 
1 1 1   24   26    0 o  171.190   12.078  102.576   14.219   92.623   20.224  112.305   19.994  161.374   18.438  178.352   16.381 -16.97743 24.66357 
1 1 1   24   26    1 o  144.391   13.644   73.393   13.473   80.181   19.657   67.378   18.503  149.747   19.424  136.898   20.129 12.84825 27.97297 
1 1 1   24   26    2 o  280.423   9.3266  273.260   18.101  222.683   31.350  298.555   22.171  251.076   18.163  292.888   10.937 -41.81235 21.20211 
1 1 1   24   26    3 o  231.141   9.2322  185.691   14.769  169.233   20.816  202.375   20.959  219.660   13.762  240.523   12.634 -20.86276 18.68168 
1 1 1   24   26    4 o  114.264   16.871   46.846   12.941   54.563   18.634   39.656   17.986  121.929   22.923  103.202   25.361 18.72730 34.18547 
1 1 1   24   26    5 o  207.184   9.7683  149.471   14.007  119.998   19.871  178.581   19.748  184.091   15.747  225.636   12.697 -41.54523 20.22861 
1 1 1   24   26    6 o  143.676   13.329   73.025   13.104   62.227   18.648   83.558   18.418  130.242   21.433  152.555   17.777 -22.31305 27.84537 
1 1 1   24   26    7 o   46.438   20.885  -5.7954   14.055  -2.5724   17.112 -12.4781   24.641   54.165   23.769   59.252   27.044 -5.086716 36.00462 
1 1 1   24   26    8 o  133.825   13.232   63.841   12.095   45.080   16.835   83.855   17.388  108.946   23.046  152.308   16.773 -43.36195 28.50345 
1 1 1   24   26    9 o  318.931   6.7877  354.351   14.983  361.702   21.269  347.109   21.110  321.171   9.5682  314.570   9.6960 6.600830 13.62215 
1 1 1   24   26   10 o   73.397   21.704   20.665   11.796   36.154   16.544   4.6470   16.824   95.402   24.819   58.225   24.514 37.17741 34.88430 
1 1 1   24   26   11 o  105.287   18.958   42.284   13.306   45.493   22.734   40.612   16.411  103.153   30.026  100.605   23.920 2.548134 38.38878 
1 1 1   24   26   12 o   44.274   19.400  -0.4936   11.363 -14.3727   16.754   11.331   15.464   44.152   20.859   61.577   24.401 -17.42493 32.10128 
1 1 1   24   26   13 o  121.257   13.944   54.572   11.490   58.310   16.016   50.608   16.492  121.554   19.713  111.296   22.188 10.25842 29.68027 
1 1 1   24   26   14 o   73.486   21.402   22.737   11.547   21.134   15.709   24.621   17.032   70.341   25.302   74.521   26.393 -4.180168 36.56210 
1 1 1   24   26   15 o   84.772   21.378   31.173   12.541   55.379   15.640 -12.4195   20.988  114.929   20.409   48.197   22.939 66.73178 30.70373 
1 1 1   24   26   16 o   44.700   19.140   4.0264   10.556   4.8163   14.754   3.1980   15.109   49.974   21.997   49.077   21.893 0.8973961 31.03485 
1 1 1   24   28    0 o  274.688   8.4299  262.055   16.027  258.147   23.092  265.687   22.261  272.087   12.262  276.134   11.648 -4.047607 16.91266 
1 1 1   24   28    1 o  169.921   12.286  101.210   14.351   79.022   20.537  122.386   20.063  148.177   20.581  186.234   15.712 -38.05711 25.89327 
1 1 1   24   28    2 o  236.104   10.495  194.065   17.149  172.293   29.737  204.914   20.992  219.985   19.741  241.982   12.577 -21.99733 23.40712 
1 1 1   24   28    3 o   72.360   23.180   18.374   13.137   15.575   19.116   20.878   18.084   74.011   27.690   79.037   27.252 -5.025887 38.85133 
1 1 1   24   28    4 o   99.309   19.438   36.108   12.882   43.961   18.526   28.757   17.925  108.428   25.171   88.556   26.886 19.87182 36.82994 
1 1 1   24   28    5 o  200.692   10.140  140.832   14.039  163.589   20.514  120.784   19.254  215.421   13.832  184.600   15.205 30.82132 20.55550 
1 1 1   24   28    6 o   54.836   22.580   4.2104   13.821   4.9982   16.932   2.6371   23.927   60.230   24.915   67.566   28.870 -7.335800 38.13488 
1 1 1   24   28    7 o  201.450   9.3747  141.806   13.071  107.063   18.605  175.664   18.367  172.884   15.721  223.244   11.930 -50.35959 19.73511 
1 1 1   24   28    8 o   91.663   18.868   31.446   11.571   42.045   16.534   21.271   16.199  104.646   23.414   76.426   25.803 28.21971 34.84256 
1 1 1   24   28    9 o  169.642   12.312  102.501   14.358   75.805   23.966  117.446   17.932  139.136   25.839  180.702   14.459 -41.56636 29.60908 
1 1 1   24   28   10 o  124.557   16.463   57.299   13.844   78.098   24.274   47.272   16.854  139.856   26.036  109.828   22.914 30.02795 34.68316 
1 1 1   24   28   11 o   59.271   21.218   12.277   11.035  -3.4188   15.675   27.698   15.538   49.369   22.141   82.516   25.027 -33.14705 33.41515 
1 1 1   24   28   12 o   74.636   20.826   22.343   11.167   30.689   16.011   14.438   15.582   85.317   25.300   64.652   24.813 20.66507 35.43673 
1 1 1   24   28   13 f   66.018   21.311   17.613   11.088   33.736   15.076  -1.3823   16.365   88.759   23.976   50.394   22.610 38.36560 32.95581 
1 1 1   24   28   14 o   57.598   21.497   12.499   11.507   33.930   15.608 -13.0201   17.032   86.824   24.762   43.697   20.758 43.12690 32.31203 
1 1 1   24   28   15 o   43.063   18.878   1.3755   10.771  -1.7992   14.753   4.9994   15.762   46.090   20.994   52.210   22.864 -6.120216 31.04000 
1 1 1   24   28   16 o   58.202   20.754   15.002   10.548  -9.5328   14.392   43.477   15.504   39.822   18.964   95.143   23.648 -55.32190 30.31237 
1 1 1   24   30    0 o  147.838   20.810   78.956   20.704   0.0000   0.0000   78.956   20.704  ?   ?   147.838   20.810 0.000000 20.81020 
1 1 1   24   30    1 o  170.481   12.267  101.999   14.377  112.241   20.598   92.270   20.076  177.798   16.944  160.679   18.383 17.11942 25.00064 
1 1 1   24   30    2 o  223.820   9.7180  174.402   15.054  131.322   21.105  219.019   21.479  192.613   15.976  250.353   12.396 -57.73955 20.22105 
1 1 1   24   30    3 o   68.399   24.686   14.505   14.968   9.0732   25.721   17.287   18.406   75.009   30.836   74.888   27.320 0.1215820 41.19770 
1 1 1   24   30    4 o  108.349   18.196   42.719   13.162   30.979   18.244   55.461   19.006   91.120   27.003  122.204   23.322 -31.08406 35.68069 
1 1 1   24   30    5 f   82.303   24.650   25.147   15.143   27.216   18.192   20.478   27.326   85.929   27.251   84.691   32.764 1.237976 42.61568 
1 1 1   24   30    6 o  148.440   12.769   78.118   12.991   77.272   18.361   78.967   18.384  145.707   18.634  147.398   18.423 -1.690811 26.20340 
1 1 1   24   30    7 o   95.574   19.193   34.119   12.255   45.463   17.162   22.318   17.505  109.089   23.430   78.554   26.822 30.53517 35.61385 
1 1 1   24   30    8 o  171.669   10.445  104.006   12.351   79.123   17.607  128.112   17.330  146.924   17.669  189.495   13.298 -42.57095 22.11374 
1 1 1   24   30    9 o   76.827   25.882   22.385   16.298   34.366   25.714   14.341   21.070   92.454   32.461   71.277   28.407 21.17666 43.13528 
1 1 1   24   30   10 o  134.766   12.894   65.581   11.880   65.119   17.400   65.985   16.260  130.735   19.855  132.556   18.204 -1.821060 26.93676 
1 1 1   24   30   11 f  106.835   15.980   42.764   11.453   46.197   15.979   39.137   16.425  107.590   22.195   97.538   24.393 10.05138 32.97944 
1 1 1   24   30   12 o   52.137   21.510   5.9860   12.572   5.6779   15.628   6.5512   21.167   55.553   23.520   61.939   26.816 -6.386433 35.66947 
1 1 1   24   30   13 o   58.307   23.838   10.079   15.266 -10.3122   20.336   36.405   23.107   49.902   23.389   86.694   30.738 -36.79211 38.62518 
1 1 1   24   30   14 o   97.177   19.605   39.008   12.731   50.002   14.797   7.6634   24.984  109.804   20.215   62.252   27.933 47.55232 34.48068 
1 1 1   24   30   15 o   69.614   22.584   22.166   12.440   35.387   14.550 -13.7561   23.984   87.206   23.553   49.681   23.878 37.52515 33.54008 
1 1 1   24   30   16 o   38.105   17.491  -2.4354   10.503 -14.0567   15.653   7.0820   14.166   38.983   18.872   50.134   21.821 -11.15121 28.84989 
1 1 1   24   32    0 o  151.170   14.148   80.876   14.630   53.708   21.227  105.463   20.193  119.527   26.367  171.971   17.196 -52.44386 31.47880 
1 1 1   24   32    1 o  258.467   9.0397  232.557   16.171  199.576   22.914  265.282   22.825  238.074   13.967  275.442   11.973 -37.36771 18.39672 
1 1 1   24   32    2 o   58.711   23.180   7.5066   13.908 -13.7726   19.497   29.551   19.844   51.196   23.620   89.800   28.460 -38.60398 36.98479 
1 1 1   24   32    3 o  170.098   14.190  102.475   16.553  135.805   28.493   85.494   20.337  193.289   21.672  153.631   19.571 39.65791 29.20127 
1 1 1   24   32    4 o  135.496   17.047   66.190   15.633   89.181   19.528   25.166   26.085  157.133   18.299   87.750   32.442 69.38387 37.24638 
1 1 1   24   32    5 o  137.409   13.940   67.331   13.073   63.583   18.293   71.244   18.690  131.151   20.851  139.330   19.951 -8.178619 28.85848 
1 1 1   24   32    6 o   49.875   20.999   2.1142   12.347  -1.3225   17.723   5.3554   17.211   55.615   24.302   60.341   25.054 -4.726227 34.90405 
1 1 1   24   32    7 o  224.977   8.7417  177.066   13.612  168.129   19.069  186.350   19.436  217.575   12.718  229.288   12.292 -11.71297 17.68777 
1 1 1   24   32    8 o   48.474   21.897  -5.7949   15.648   0.0000   0.0000  -5.7949   15.648  ?   ?    48.474   21.897 0.000000 21.89691 
1 1 1   24   32    9 f   68.157   21.621   17.615   11.451   5.4462   16.050   30.231   16.343   57.586   24.076   86.764   25.516 -29.17773 35.08096 
1 1 1   24   32   10 o   94.057   18.306   33.881   11.488   38.777   16.304   29.054   16.191   97.681   24.232   84.266   25.545 13.41510 35.21007 
1 1 1   24   32   11 o   67.483   22.803   17.772   12.652  -2.0106   15.765   53.561   21.205   49.969   22.322  111.377   27.639 -61.40841 35.52713 
1 1 1   24   32   12 o   43.712   19.763  -3.3959   12.780  -7.4769   15.186   6.5122   23.661   44.829   20.740   63.454   27.895 -18.62449 34.75971 
1 1 1   24   32   13 o   60.721   24.070   13.055   15.053   13.055   15.053   0.0000   0.0000   60.721   24.070  ?   ?  0.000000 24.06975 
1 1 1   24   32   14 o   39.740   18.506  -6.4751   12.396   0.3822   14.452 -25.5658   24.113   47.570   21.302   46.682   22.785 0.8883553 31.19238 
1 1 1   24   32   15 o  109.494   18.460   50.266   13.492   54.828   16.178   39.844   24.450  110.636   21.903   80.837   31.069 29.79912 38.01304 
1 1 1   24   34    0 o   98.946   22.101   36.580   14.753   60.628   21.264   14.257   20.487  127.042   25.074   73.294   28.365 53.74854 37.85841 
1 1 1   24   34    1 o  308.298   9.3182  331.428   19.883  274.488   35.198  358.113   24.096  276.956   18.468  320.030   10.879 -43.07394 21.43412 
1 1 1   24   34    2 o  207.250   10.878  150.667   15.549  127.783   21.668  174.961   22.325  189.043   16.734  222.220   14.597 -33.17703 22.20539 
1 1 1   24   34    3 o  268.906   11.216  253.372   20.874  263.317   29.198  242.976   29.854  272.166   15.565  260.925   16.618 11.24121 22.76900 
1 1 1   24   34    4 o  170.615   11.738  102.729   13.777  108.719   19.621   96.903   19.349  173.943   16.496  163.822   17.328 10.12096 23.92425 
1 1 1   24   34    5 o  243.469   8.7268  207.068   14.705  188.887   20.495  226.358   21.112  230.934   12.874  253.492   12.033 -22.55835 17.62214 
1 1 1   24   34    6 o   71.679   22.569   19.095   12.495   24.761   17.614   13.355   17.728   81.227   26.899   68.272   26.396 12.95537 37.68681 
1 1 1   24   34    7 o  114.005   19.595   48.841   14.904  -1.8790   27.714   69.477   17.677   67.019   29.790  136.595   19.231 -69.57623 35.45791 
1 1 1   24   34    8 o   64.956   22.229   15.254   12.024   24.494   17.108   6.2347   16.903   79.492   26.519   59.543   24.784 19.94855 36.29713 
1 1 1   24   34    9 o   36.469   17.145 -10.1397   11.067  -9.7041   15.653 -10.5752   15.650   45.390   21.019   44.865   20.859 0.5250626 29.61252 
1 1 1   24   34   10 o  158.238   11.057   89.735   12.033   98.107   16.949   81.226   17.087  163.075   15.192  147.066   17.107 16.00957 22.87890 
1 1 1   24   34   11 o   31.722   15.592 -21.8143   11.906  -6.8673   15.021 -47.0732   19.527   45.237   20.820   36.500   18.273 8.736191 27.70174 
1 1 1   24   34   12 o   70.427   24.953   20.733   15.225   20.733   15.225   0.0000   0.0000   70.427   24.953  ?   ?  0.000000 24.95294 
1 1 1   24   34   13 o   38.940   18.044  -6.0079   11.562   10.362   15.400 -27.1515   17.502   57.704   23.807   38.480   18.912 19.22410 30.40428 
1 1 1   24   34   14 o   52.658   21.366   9.1471   12.150   17.532   21.730   5.3339   14.654   65.273   27.690   51.266   22.254 14.00697 35.52469 
1 1 1   24   34   15 o   37.236   17.595  -7.4971   11.930   3.0234   21.358 -12.2674   14.382   53.326   24.644   38.401   18.465 14.92501 30.79453 
1 1 1   24   36    0 o  254.019   8.8925  225.122   15.634  197.756   28.192  237.276   18.787  234.785   17.474  260.391   10.425 -25.60631 20.34755 
1 1 1   24   36    1 o  138.351   18.048   69.533   16.870   67.959   20.714   72.634   29.072  134.836   23.023  135.590   31.569 -0.7535858 39.07272 
1 1 1   24   36    2 f  100.742   23.971   38.702   16.471   32.889   20.227   50.146   28.379   92.747   28.635  112.073   33.786 -19.32616 44.28807 
1 1 1   24   36    3 f   46.486   20.617  -3.3909   13.204 -21.0694   18.911   13.427   18.445   45.997   21.857   69.587   26.919 -23.59032 34.67490 
1 1 1   24   36    4 o   62.446   23.876   10.984   14.394 -20.0195   24.315   27.710   17.859   54.497   25.553   85.341   26.994 -30.84370 37.17034 
1 1 1   24   36    5 o   72.450   22.653   19.592   12.613   19.165   17.559   20.048   18.129   74.437   26.752   75.813   27.190 -1.375809 38.14407 
1 1 1   24   36    6 o   61.722   24.264   10.041   15.178  -8.1024   27.826   17.725   18.109   63.886   28.996   72.753   27.004 -8.867828 39.62304 
1 1 1   24   36    7 o  125.963   15.400   57.991   13.146   74.683   18.501   40.968   18.684  141.100   19.463  100.744   26.457 40.35577 32.84425 
1 1 1   24   36    8 o   95.970   18.778   35.154   12.026   52.702   16.658   16.049   17.381  116.590   21.433   69.232   26.293 47.35831 33.92164 
1 1 1   24   36    9 o  140.916   12.649   71.856   12.205   76.750   17.678   67.399   16.871  142.388   18.367  133.028   18.851 9.360413 26.31917 
1 1 1   24   36   10 o  127.606   13.771   59.904   11.970   45.590   16.805   74.643   17.053  105.269   23.644  139.802   18.045 -34.53323 29.74347 
1 1 1   24   36   11 o  109.104   21.317   48.342   15.520   48.342   15.520   0.0000   0.0000  109.104   21.317  ?   ?  0.000000 21.31676 
1 1 1   24   36   12 o   51.934   20.762   8.0074   11.290   35.982   15.210 -26.3255   16.850   90.719   23.893   38.075   18.681 52.64411 30.32894 
1 1 1   24   36   13 o   60.566   21.049   15.170   10.799   15.877   15.512   14.505   15.044   62.770   24.573   61.105   24.113 1.665611 34.42804 
1 1 1   24   36   14 o   38.454   18.112  -7.7322   12.458 -10.8829   17.791  -4.7005   17.451   44.183   21.053   46.899   21.879 -2.715988 30.36319 
1 1 1   24   38    0 f  191.852   10.922  129.624   14.442  134.244   26.236  127.615   17.299  191.408   20.105  189.577   13.268 1.830902 24.08799 
1 1 1   24   38    1 o  105.831   19.037   41.566   13.432   8.2732   25.599   54.213   15.778   72.397   30.347  121.035   19.497 -48.63815 36.06986 
1 1 1   24   38    2 o  176.038   14.249  110.701   17.212   73.073   30.266  128.688   20.925  133.925   32.891  189.072   16.146 -55.14732 36.64038 
1 1 1   24   38    3 o  167.259   12.400   99.348   14.252  105.575   20.387   93.396   19.931  170.337   17.544  159.747   18.360 10.59023 25.39474 
1 1 1   24   38    4 f  140.576   15.745   71.660   15.056   92.537   24.660   59.254   19.010  155.940   23.585  124.565   22.894 31.37510 32.86922 
1 1 1   24   38    5 o   79.437   24.760   24.293   15.082   40.459   28.684   18.116   17.731   99.458   34.320   72.849   26.779 26.60932 43.53067 
1 1 1   24   38    6 o  122.027   17.900   55.439   14.669   30.585   23.909   70.442   18.576   88.191   31.267  136.551   20.270 -48.36061 37.26282 
1 1 1   24   38    7 o  164.696   11.883   97.018   13.455   94.566   18.741   99.626   19.328  159.805   17.216  164.019   17.287 -4.214432 24.39726 
1 1 1   24   38    8 o   46.123   19.796   1.2161   11.340 -12.0827   16.275   13.767   15.811   44.891   21.003   65.035   24.986 -20.14489 32.64127 
1 1 1   24   38    9 o   83.401   20.230   27.608   11.558   13.305   16.570   41.161   16.129   64.451   25.347  100.211   23.638 -35.76028 34.65900 
1 1 1   24   38   10 o  137.301   18.503   72.964   17.135   72.964   17.135   0.0000   0.0000  137.301   18.503  ?   ?  0.000000 18.50265 
1 1 1   24   38   11 o   56.121   22.104   10.148   12.618   15.420   15.464  -0.3556   21.827   64.125   24.692   56.930   25.775 7.195400 35.69400 
1 1 1   24   38   12 o   96.115   17.173   36.633   11.005   41.729   15.605   31.592   15.521   97.610   23.402   83.337   24.955 14.27278 34.21150 
1 1 1   24   38   13 o   42.501   18.671   1.0958   10.584  -5.1242   15.264   6.8558   14.688   44.612   20.693   52.726   22.577 -8.114769 30.62565 
1 1 1   24   38   14 o   59.792   20.925   15.957   10.681   26.366   16.570   8.5570   13.971   71.224   25.931   52.141   22.164 19.08245 34.11297 
1 1 1   24   40    0 o  101.967   19.011   38.854   12.923   54.488   24.317   32.701   15.255  116.163   30.027   91.906   23.796 24.25768 38.31236 
1 1 1   24   40    1 o   45.592   20.077  -2.1244   12.303   10.102   26.339  -5.5362   13.914   73.742   30.837   45.878   20.693 27.86386 37.13620 
1 1 1   24   40    2 f   99.135   19.717   37.049   13.052   12.590   25.509   45.724   15.192   74.618   30.696  109.983   20.717 -35.36580 37.03278 
1 1 1   24   40    3 o  130.320   13.245   60.957   11.780   47.600   26.441   64.265   13.158  107.016   32.690  133.386   14.486 -26.37074 35.75586 
1 1 1   24   40    4 o  113.000   19.115   47.952   14.417   34.909   21.909   57.913   19.146   93.023   29.949  122.209   23.489 -29.18523 38.06151 
1 1 1   24   40    5 f   43.985   19.851  -4.8467   12.826 -41.4521   18.321   30.339   17.962   36.982   18.384   87.048   27.003 -50.06661 32.66696 
1 1 1   24   40    6 o  159.455   14.182   92.219   15.488   95.918   19.316   85.561   25.917  160.675   17.661  145.578   26.707 15.09773 32.01820 
1 1 1   24   40    7 o   99.637   18.742   38.042   12.450   38.713   17.521   37.359   17.696   96.914   25.701   95.006   26.106 1.908356 36.63460 
1 1 1   24   40    8 o  105.218   16.390   41.715   11.547   44.558   16.254   38.818   16.407  104.968   23.008   96.947   24.455 8.020477 33.57702 
1 1 1   24   40    9 o   74.824   21.477   22.723   11.705   39.104   16.481   6.0523   16.626   96.284   24.632   57.125   24.227 39.15956 34.54948 
1 1 1   24   40   10 o   48.071   20.750   2.2829   12.598   21.948   15.639 -34.0634   21.261   72.333   25.319   42.164   20.746 30.16937 32.73355 
1 1 1   24   40   11 o   45.290   20.270  -1.1393   13.065  -6.8354   15.539   12.600   24.134   45.056   20.892   65.933   28.590 -20.87618 35.40995 
1 1 1   24   40   12 o   52.082   20.214   9.3955   10.427   10.933   14.995   7.9562   14.511   57.360   23.558   54.115   22.774 3.245342 32.76590 
1 1 1   24   40   13 f   35.383   16.566  -6.2966   10.155 -10.9507   14.982  -2.3411   13.812   40.527   19.314   43.953   20.132 -3.426228 27.89796 
1 1 1   24   42    0 o   36.677   17.217 -10.3746   11.089 -22.5805   22.896  -6.6338   12.675   50.797   24.112   42.549   19.411 8.248306 30.95454 
1 1 1   24   42    1 o  138.068   12.465   68.168   11.783   88.390   24.219   61.897   13.487  151.500   23.889  130.482   15.220 21.01868 28.32587 
1 1 1   24   42    2 o  120.756   14.241   52.850   11.673   50.537   25.979   53.436   13.067  109.555   32.157  120.722   16.036 -11.16714 35.93322 
1 1 1   24   42    3 o   50.433   20.538   4.8478   11.276   6.3707   26.219   4.5021   12.491   69.854   30.044   51.923   21.433 17.93172 36.90565 
1 1 1   24   42    4 o   74.829   21.289   21.702   11.551   4.4834   28.737   25.020   12.615   70.622   30.901   79.981   22.069 -9.359200 37.97241 
1 1 1   24   42    5 o  110.066   19.904   46.443   14.604   12.805   23.753   66.889   18.518   71.291   29.502  131.909   20.987 -60.61826 36.20533 
1 1 1   24   42    6 o  150.146   13.041   81.592   13.417   78.428   18.951   84.773   18.999  143.377   19.612  149.712   18.747 -6.335159 27.13043 
1 1 1   24   42    7 o  141.236   13.163   72.621   12.718   53.583   18.061   91.347   17.913  115.132   23.462  156.200   16.835 -41.06760 28.87743 
1 1 1   24   42    8 o   45.228   19.636   0.6982   11.413   19.554   16.665 -15.9595   15.663   70.863   25.974   41.317   19.706 29.54599 32.60349 
1 1 1   24   42    9 o   92.428   22.186   35.406   14.012   56.111   16.880 -10.4732   25.128  117.590   21.535   55.810   26.108 61.78002 33.84301 
1 1 1   24   42   10 o   54.395   21.259   9.6517   11.595  -9.9495   15.913   31.838   16.930   44.016   20.649   83.873   26.248 -39.85700 33.39684 
1 1 1   24   42   11 o   60.084   22.897   13.993   13.209   16.989   15.967   7.4976   23.511   64.628   25.033   61.346   27.342 3.282177 37.07083 
1 1 1   24   42   12 o   71.129   22.591   22.892   12.498  -2.7166   22.096   34.941   15.156   53.152   24.736   86.366   24.321 -33.21462 34.68989 
1 1 1   24   42   13 o   42.509   18.597   2.3097   10.405  -4.8083   15.735   7.8407   13.871   44.197   20.670   51.369   21.966 -7.172413 30.16244 
1 1 1   24   44    0 f  106.507   15.693   41.805   11.221   67.415   23.715   34.417   12.738  129.019   27.404   94.705   20.057 34.31396 33.95996 
1 1 1   24   44    1 o  168.361   10.141  100.346   11.761   87.268   23.090  104.928   13.667  150.280   22.926  171.600   11.575 -21.31953 25.68226 
1 1 1   24   44    2 o   60.491   22.071   12.208   12.013   29.541   26.538   7.7409   13.472   87.299   32.633   56.594   22.661 30.70476 39.72973 
1 1 1   24   44    3 o   40.350   18.636  -7.8973   12.184   0.0000   0.0000  -7.8973   12.184  ?   ?    40.350   18.636 0.000000 18.63561 
1 1 1   24   44    4 o   59.362   22.518   11.077   12.739   0.0000   0.0000   11.077   12.739  ?   ?    59.362   22.518 0.000000 22.51799 
1 1 1   24   44    5 o   40.481   19.217 -14.6748   14.547  -2.4005   23.961 -21.8398   18.307   60.647   27.273   43.377   20.852 17.26998 34.33125 
1 1 1   24   44    6 o   62.608   20.778   14.880   10.508   15.780   21.872   14.610   11.981   70.775   28.684   62.906   22.152 7.868671 36.24241 
1 1 1   24   44    7 o   95.888   21.940   37.306   14.245   43.376   24.145   34.065   17.643   96.868   31.465   88.919   26.601 7.949394 41.20259 
1 1 1   24   44    8 o   54.425   22.796   6.2717   14.428   3.5182   17.440   12.244   25.684   55.543   24.193   68.777   29.659 -13.23476 38.27469 
1 1 1   24   44    9 o  154.266   11.863   86.993   12.569   81.097   18.050   92.543   17.512  143.578   18.602  155.368   16.539 -11.79053 24.89127 
1 1 1   24   44   10 o   53.706   21.245   9.3928   11.705  -2.4139   16.625   20.998   16.482   49.043   22.318   69.594   25.776 -20.55135 34.09557 
1 1 1   24   44   11 o   45.428   20.917  -3.9846   15.181  -8.5415   20.822   1.1859   22.180   49.622   23.386   55.780   25.535 -6.157928 34.62532 
1 1 1   24   44   12 o   58.674   20.753   14.846   10.527   11.440   15.347   17.874   14.467   56.337   23.546   62.781   23.953 -6.443935 33.58836 
1 1 1   24   46    0 o  131.657   12.901   62.639   11.604   59.512   23.006   63.706   13.439  119.411   28.274  131.827   14.996 -12.41553 32.00506 
1 1 1   24   46    1 f  139.828   12.582   70.481   12.046   55.073   23.972   75.686   13.933  113.399   30.058  144.196   14.143 -30.79681 33.21931 
1 1 1   24   46    2 o  101.519   20.630   40.129   14.001   0.0000   0.0000   40.129   14.001  ?   ?   101.519   20.630 0.000000 20.62966 
1 1 1   24   46    3 f   52.863   20.731   7.5927   11.055 -11.8342   24.953   12.337   12.332   56.948   26.431   60.395   22.310 -3.446121 34.58795 
1 1 1   24   46    4 o   33.024   15.992 -16.6091   11.265 -31.7463   25.798 -13.0431   12.521   49.831   24.149   37.493   17.807 12.33796 30.00482 
1 1 1   24   46    5 o   50.009   20.261   5.7267   10.909 -26.6049   25.453   13.002   12.074   50.869   24.486   60.605   22.125 -9.736183 33.00096 
1 1 1   24   46    6 o  111.877   19.612   49.101   14.633   53.707   23.066   45.999   18.929  109.092   29.735  103.438   26.363 5.653137 39.73893 
1 1 1   24   46    7 o  107.932   16.141   44.382   11.687   77.854   23.576   33.477   13.457  134.667   26.238   90.163   21.804 44.50360 34.11508 
1 1 1   24   46    8 o   48.244   19.644   5.6867   10.314   24.615   22.583   0.6982   11.593   75.645   29.640   44.896   19.636 30.74883 35.55388 
1 1 1   24   46    9 o   68.185   20.306   19.356   10.298   14.829   24.076   20.370   11.392   67.140   28.831   69.436   21.499 -2.296158 35.96438 
1 1 1   24   46   10 o   63.557   23.076   17.081   13.109   12.717   22.424   19.346   16.157   63.378   27.520   66.719   25.347 -3.340561 37.41481 
1 1 1   24   46   11 o   52.642   21.445   9.3260   12.300   3.8956   14.681   22.117   22.532   49.757   21.920   68.147   28.511 -18.38968 35.96321 
1 1 1   24   48    0 o   42.331   18.874  -2.5077   11.214 -18.2000   23.295   2.2258   12.794   51.873   24.534   49.370   21.104 2.502296 32.36180 
1 1 1   24   48    1 o  161.967   12.666   94.877   14.085   0.0000   0.0000   94.877   14.085  ?   ?   161.967   12.666 0.000000 12.66560 
1 1 1   24   48    2 o  116.997   14.399   50.478   11.413   30.371   23.505   56.682   13.056   84.947   30.892  123.414   15.636 -38.46770 34.62331 
1 1 1   24   48    3 o   44.549   19.681  -1.2321   11.918   14.922   25.420  -5.7832   13.493   72.246   30.259   43.759   19.988 28.48713 36.26510 
1 1 1   24   48    4 o   71.482   21.048   20.452   11.114   84.780   25.729   5.6943   12.323  141.174   27.320   51.761   21.319 89.41283 34.65377 
1 1 1   24   48    5 o   79.106   19.918   25.092   10.899   45.854   26.026   20.678   12.001   97.862   32.708   71.372   22.061 26.48991 39.45257 
1 1 1   24   48    6 o   76.755   26.671   25.282   17.338   3.5912   23.337   52.000   25.901   61.368   27.305  102.991   32.501 -41.62230 42.44838 
1 1 1   24   48    7 o   67.754   20.284   18.765   10.256   12.961   23.241   20.169   11.428   66.602   28.456   69.757   21.522 -3.155144 35.67831 
1 1 1   24   48    8 o   65.685   20.162   17.821   10.044   26.356   23.246   15.862   11.138   75.891   29.966   62.440   21.394 13.45079 36.81920 
1 1 1   24   48    9 o   61.451   20.473   15.676   10.199   37.488   27.511   12.201   10.981   82.719   32.619   56.415   21.011 26.30445 38.80024 
1 1 1   24   48   10 o   89.657   17.194   32.708   10.281   20.093   23.996   35.544   11.379   67.480   28.875   92.569   18.408 -25.08943 34.24332 
1 1 1   24   48   11 o   37.847   17.704  -5.7849   11.552 -14.4927   22.688  -2.7377   13.422   47.157   22.802   42.634   19.644 4.523129 30.09654 
1 1 1   24   50    0 o   76.874   22.537   24.044   12.768   0.0000   0.0000   24.044   12.768  ?   ?    76.874   22.537 0.000000 22.53747 
1 1 1   24   50    1 o   69.856   20.972   19.453   10.952   13.580   22.625   21.250   12.516   68.885   28.673   72.551   22.546 -3.665306 36.47561 
1 1 1   24   50    2 o  104.421   16.144   41.282   11.291   28.985   22.292   45.526   13.095   82.158   30.053  108.651   18.047 -26.49328 35.05501 
1 1 1   24   50    3 o   73.633   27.297   21.787   18.493   15.600   25.428   28.732   26.942   71.557   30.133   82.099   32.310 -10.54147 44.18048 
1 1 1   24   50    4 o   55.224   20.904   10.203   10.964   23.024   24.644   7.0386   12.242   76.225   30.603   52.690   21.422 23.53562 37.35574 
1 1 1   24   50    5 o   39.779   18.292  -5.6335   11.558  -9.0537   23.952  -4.5953   13.197   54.989   25.646   43.416   19.807 11.57301 32.40369 
1 1 1   24   50    6 o   39.903   18.244  -4.4857   11.273   13.493   25.735  -8.7542   12.540   68.174   29.542   39.269   18.393 28.90489 34.80017 
1 1 1   24   50    7 o   65.764   23.352   18.002   13.341   0.4578   23.344   26.511   16.257   57.899   26.386   76.574   25.849 -18.67483 36.93797 
1 1 1   24   50    8 o   68.888   20.195   20.085   10.252   32.927   24.725   17.418   11.266   79.742   31.077   64.169   21.519 15.57307 37.80040 
1 1 1   24   50    9 o   73.720   19.900   23.395   10.390 -43.6098   25.166   37.162   11.407   42.446   21.172   95.176   17.976 -52.73067 27.77380 
1 1 1   24   50   10 o   41.821   18.306   1.8509   10.094 -13.0488   24.325   4.9507   11.095   49.394   23.815   46.244   19.707 3.149437 30.91145 
1 1 1   24   52    0 o   64.242   24.077   15.257   14.464   22.200   24.965   11.749   17.746   75.790   30.670   62.867   25.701 12.92349 40.01540 
1 1 1   24   52    1 o  110.092   15.872   45.988   11.744   8.3463   25.143   56.492   13.282   66.006   28.892  122.025   16.121 -56.01885 33.08535 
1 1 1   24   52    2 o   99.731   17.568   38.672   11.683   56.049   23.822   33.168   13.406  109.406   30.380   89.628   21.817 19.77770 37.40218 
1 1 1   24   52    3 o   55.323   21.041   10.356   11.141  -6.1122   23.873   14.942   12.597   56.309   26.034   62.448   22.630 -6.138901 34.49469 
1 1 1   24   52    4 o   39.550   18.449  -8.0373   12.405 -11.6537   24.053  -6.7268   14.480   53.564   25.211   43.884   20.284 9.680035 32.35779 
1 1 1   24   52    5 o   51.226   20.164   8.0795   10.495   1.7902   24.540   9.4873   11.610   60.066   27.250   54.111   21.237 5.954849 34.54810 
1 1 1   24   52    6 o   93.818   17.318   34.940   10.831   25.785   25.638   36.928   11.949   75.195   30.834   95.492   18.749 -20.29702 36.08708 
1 1 1   24   52    7 o   86.056   23.118   32.985   14.062   59.220   25.062   20.930   16.988  105.311   31.750   68.670   26.015 36.64037 41.04668 
1 1 1   24   52    8 o   45.370   19.741   2.6851   11.585   0.0000   0.0000   2.6851   11.585  ?   ?    45.370   19.741 0.000000 19.74079 
1 1 1   24   52    9 o   42.788   18.750   2.0178   10.616   11.712   26.077   0.0919   11.623   61.331   27.926   42.501   19.063 18.83001 33.81226 
1 1 1   24   54    0 o   60.931   21.734   14.350   11.568   22.815   24.326   11.876   13.150   74.608   30.246   58.652   22.718 15.95616 37.82764 
1 1 1   24   54    1 o   47.396   20.131   3.4406   11.507  -1.3902   24.385   4.8246   13.052   58.748   26.849   50.865   21.513 7.883755 34.40412 
1 1 1   24   54    2 o   49.175   20.304   5.5643   11.214 -43.0976   22.892   20.927   12.863   41.404   20.577   70.454   22.969 -29.04999 30.83855 
1 1 1   24   54    3 o   79.116   21.432   26.393   12.026   15.502   22.490   30.755   14.232   67.357   28.350   84.058   23.532 -16.70051 36.84357 
1 1 1   24   54    4 o   57.604   21.970   12.141   12.168  -3.5410   24.771   17.129   13.970   57.066   26.432   64.719   23.773 -7.652256 35.54961 
1 1 1   24   54    5 o  108.534   16.021   45.905   11.673   83.220   26.268   36.723   13.031  130.879   29.681   93.449   20.693 37.43011 36.18260 
1 1 1   24   54    6 o   57.064   20.785   12.939   10.647   19.756   26.216   11.593   11.651   69.207   29.904   55.723   21.439 13.48466 36.79499 
1 1 1   24   54    7 o   30.182   14.927 -21.5352   11.506   0.0000   0.0000 -21.5352   11.506  ?   ?    30.182   14.927 0.000000 14.92725 
1 1 1   24   54    8 o   52.939   20.381   11.000   10.534   64.098   24.659  -0.8538   11.651  104.720   31.476   41.733   18.869 62.98731 36.69849 
1 1 1   24   56    0 o   74.982   21.165   23.799   11.464   45.488   23.161   16.761   13.193   94.658   30.821   64.061   23.167 30.59709 38.55682 
1 1 1   24   56    1 o   61.167   24.787   13.003   16.331   14.000   23.034   11.995   23.157   65.878   28.242   64.572   28.002 1.306366 39.77152 
1 1 1   24   56    2 o   35.197   16.900 -13.3563   11.946   18.912   22.621 -25.8361   14.068   69.021   28.695   33.580   16.589 35.44117 33.14531 
1 1 1   24   56    3 o   47.899   19.833   5.5480   10.743   46.463   23.005  -5.8640   12.150   94.463   30.714   39.976   18.514 54.48744 35.86298 
1 1 1   24   56    4 o   92.802   18.728   35.392   11.614   41.859   26.034   33.786   12.977   86.464   32.321   88.437   21.427 -1.972908 38.77856 
1 1 1   24   56    5 o   51.293   20.872   8.2161   11.635   55.268   25.131  -4.6206   13.127   98.830   32.101   41.927   19.357 56.90387 37.48534 
1 1 1   24   56    6 o   48.851   20.532   6.3225   11.770   0.0000   0.0000   6.3225   11.770  ?   ?    48.851   20.532 0.000000 20.53214 
1 1 1   24   58    0 o   81.066   20.185   27.927   11.282 -18.9463   23.642   41.748   12.838   48.500   23.407  100.606   19.136 -52.10642 30.23387 
1 1 1   24   58    1 o   52.983   21.636   8.7153   12.559  -4.0244   21.866   14.986   15.341   52.934   24.626   61.512   24.326 -8.577591 34.61473 
1 1 1   24   58    2 o   99.086   16.924   39.329   11.190   62.244   23.304   32.463   12.757  109.933   29.857   86.232   21.460 23.70109 36.76881 
1 1 1   24   58    3 o   68.467   21.345   20.674   11.208   53.268   22.866   10.367   12.858   99.285   30.412   54.583   22.038 44.70173 37.55729 
1 1 1   24   58    4 o   41.815   18.729  -0.3601   11.177  -1.8868   24.611   0.0366   12.546   54.975   25.755   44.117   19.795 10.85752 32.48363 
1 1 1   25    1    0 o  547.644   6.1004  1039.02   23.122  1035.65   32.624  1042.43   32.777  546.452   8.6260  548.237   8.6381 -1.785156 12.20758 
1 1 1   25    1    1 o  467.489   6.0198  757.124   19.477  751.213   27.405  763.157   27.687  465.405   8.5079  469.088   8.5280 -3.682770 12.04621 
1 1 1   25    1    2 o  387.846   6.0832  521.167   16.329  535.935   23.226  506.731   22.963  393.079   8.5371  382.205   8.6806 10.87457 12.17520 
1 1 1   25    1    3 o  342.812   6.3833  407.248   15.145  408.871   21.735  405.717   21.115  343.245   9.1492  341.942   8.9222 1.302826 12.77944 
1 1 1   25    1    4 o   40.124   18.776 -12.7819   13.014  -7.5632   15.860 -23.5415   22.773   49.230   22.159   52.259   24.576 -3.028584 33.09077 
1 1 1   25    1    5 o  162.347   11.051   92.088   12.343   68.908   17.738  113.853   17.188  138.859   18.951  180.142   13.893 -41.28310 23.49820 
1 1 1   25    1    6 o  146.580   12.309   75.398   12.372   73.871   17.674   76.866   17.325  143.913   18.147  147.024   17.361 -3.110458 25.11431 
1 1 1   25    1    7 o  324.741   7.0042  365.916   15.742  374.104   22.534  358.110   22.002  327.914   9.9290  320.831   9.9083 7.082672 14.02711 
1 1 1   25    1    8 o  108.286   17.861   42.454   12.919   48.733   18.347   36.277   18.196  114.556   23.913   98.426   26.234 16.13027 35.49734 
1 1 1   25    1    9 o   48.199   20.808  -0.6395   12.670  -5.7719   17.684   4.7734   18.161   52.972   23.654   61.853   25.713 -8.880913 34.93807 
1 1 1   25    1   10 o  224.546   10.204  176.609   15.859  147.854   26.160  193.317   19.940  201.729   18.959  233.964   12.358 -32.23497 22.63096 
1 1 1   25    1   11 o  248.613   10.954  217.883   18.848  190.098   26.576  246.000   26.734  228.807   16.902  261.814   14.814 -33.00662 22.47511 
1 1 1   25    1   12 o   69.094   23.736   17.688   13.713   13.267   17.272   25.224   22.553   66.414   25.949   81.697   30.173 -15.28327 39.79647 
1 1 1   25    1   13 o  140.333   13.403   71.798   12.860  102.914   18.377   41.940   18.002  166.411   16.160  100.137   25.811 66.27408 30.45269 
1 1 1   25    1   14 o   58.134   21.842   11.776   11.918   33.254   16.994  -9.0170   16.720   87.301   26.105   46.352   21.554 40.94943 33.85310 
1 1 1   25    1   15 o  123.387   15.019   58.010   12.561   36.615   17.814   79.166   17.714   88.826   26.766  141.138   18.587 -52.31246 32.58627 
1 1 1   25    1   16 o   49.792   20.650   6.8375   11.673  -8.4748   16.566   21.939   16.451   44.461   20.925   68.813   25.699 -24.35164 33.14073 
1 1 1   25    1   17 o   45.304   20.384   1.1682   13.404   9.7933   16.852 -13.6878   22.116   54.968   23.863   46.788   22.595 8.179581 32.86314 
1 1 1   25    1   18 o   80.438   20.639   31.031   11.547   28.140   16.538   33.780   16.130   68.882   25.759   76.173   25.748 -7.291817 36.42073 
1 1 1   25    3    0 o  108.232   16.119   41.727   11.706   19.576   16.522   64.057   16.588   77.023   26.059  134.172   18.344 -57.14812 31.86799 
1 1 1   25    3    1 o  461.789   6.0209  738.782   19.244  741.426   27.232  736.146   27.197  462.359   8.5099  460.707   8.5294 1.651550 12.04858 
1 1 1   25    3    2 o   55.950   21.112   8.0384   11.159   32.695   16.000 -15.3163   15.572   94.537   24.316   43.867   20.531 50.67014 31.82403 
1 1 1   25    3    3 o  150.900   13.204   79.865   13.651   90.683   25.181   75.363   16.245  158.736   23.642  146.019   16.356 12.71690 28.74813 
1 1 1   25    3    4 o  320.785   6.7010  356.701   14.877  361.197   21.283  352.404   20.805  322.523   9.5342  318.584   9.4358 3.939148 13.41399 
1 1 1   25    3    5 o  351.620   6.4398  428.592   15.672  414.091   22.068  443.346   22.260  345.305   9.2340  357.326   9.0008 -12.02127 12.89502 
1 1 1   25    3    6 o   68.006   21.984   15.954   11.796  -6.0205   17.344   34.867   16.090   52.819   23.517   97.180   24.052 -44.36172 33.63876 
1 1 1   25    3    7 o   69.543   22.597   16.737   12.452   4.6411   17.672   28.664   17.549   61.677   25.479   88.652   26.532 -26.97431 36.78531 
1 1 1   25    3    8 o  251.684   8.5445  220.280   14.884  250.607   21.789  193.748   20.380  267.871   11.753  235.052   12.573 32.81931 17.21058 
1 1 1   25    3    9 o  197.179   11.335  136.485   15.404  141.415   25.032  133.481   19.541  198.455   18.436  194.068   14.657 4.386978 23.55182 
1 1 1   25    3   10 o   94.306   21.559   33.634   13.765   47.673   22.272   24.958   17.509  110.049   28.878   82.051   26.801 27.99786 39.39897 
1 1 1   25    3   11 f  153.571   12.162   83.989   12.821   92.871   18.523   75.819   17.765  159.444   17.049  143.316   18.330 16.12767 25.03324 
1 1 1   25    3   12 o   48.267   21.229  -1.2441   13.720  -8.0624   16.915   11.868   23.457   48.630   22.275   70.574   29.271 -21.94458 36.78295 
1 1 1   25    3   13 o   99.037   21.205   38.907   14.097   22.822   17.402   69.610   24.042   75.727   26.694  128.058   27.914 -52.33066 38.62296 
1 1 1   25    3   14 o  102.839   17.759   41.078   12.183   45.620   17.237   36.544   17.222  103.749   24.412   91.511   25.981 12.23756 35.65045 
1 1 1   25    3   15 o   59.303   22.033   13.445   12.062   11.314   16.780   15.724   17.350   60.043   24.818   64.564   25.763 -4.521744 35.77236 
1 1 1   25    3   16 o   46.820   20.784   1.4565   13.448   14.030   16.363 -24.7122   23.605   60.488   24.699   46.044   22.490 14.44448 33.40355 
1 1 1   25    3   17 o   41.564   18.830  -0.7483   11.670  -5.6337   16.155   4.5829   16.876   44.167   20.748   51.119   22.947 -6.951954 30.93579 
1 1 1   25    3   18 o   43.025   19.109   3.2540   11.381 -21.1015   16.464   25.543   15.750   36.411   17.980   66.512   25.085 -30.10138 30.86300 
1 1 1   25    5    0 o  415.908   6.2078  599.312   17.869  619.952   25.495  579.382   25.053  422.767   8.7132  408.684   8.8572 14.08295 12.42461 
1 1 1   25    5    1 o  379.278   6.2651  498.418   16.446  468.850   23.052  529.065   23.470  367.611   9.0604  390.545   8.6828 -22.93414 12.54916 
1 1 1   25    5    2 o  222.083   8.3547  171.067   12.842  153.846   18.830  186.040   17.558  209.870   13.028  231.408   10.963 -21.53857 17.02687 
1 1 1   25    5    3 o  271.892   10.176  256.745   19.150  268.341   28.476  247.171   25.875  277.003   14.908  265.968   14.107 11.03455 20.52435 
1 1 1   25    5    4 o  512.666   6.8681  911.163   24.370  856.097   42.053  939.005   29.903  495.964   12.251  520.224   8.3050 -24.26059 14.80056 
1 1 1   25    5    5 o   48.215   21.056  -2.4754   13.288   12.141   24.985  -8.2400   15.691   77.586   30.930   48.383   21.885 29.20255 37.88903 
1 1 1   25    5    6 o  216.239   12.301  163.505   18.333   0.0000   0.0000  163.505   18.333  ?   ?   216.239   12.301 0.000000 12.30072 
1 1 1   25    5    7 o  184.468   10.495  118.859   13.343   93.541   19.190  142.559   18.566  162.169   17.367  201.527   13.387 -39.35875 21.92817 
1 1 1   25    5    8 o  196.069   11.486  134.680   15.519  136.683   26.229  133.602   19.251  195.264   19.676  194.603   14.395 0.6609955 24.37971 
1 1 1   25    5    9 o  125.174   17.498   56.682   14.745   38.522   24.554   66.924   18.440  100.721   31.625  135.262   20.326 -34.54179 37.59394 
1 1 1   25    5   10 o   70.431   22.662   18.034   12.546   28.490   17.590   7.2095   17.898   86.514   26.703   62.944   25.781 23.57032 37.11740 
1 1 1   25    5   11 o  226.578   8.5790  179.743   13.453  164.140   18.789  196.158   19.272  214.696   12.701  235.171   11.879 -20.47546 17.39030 
1 1 1   25    5   12 o  105.601   17.563   41.888   12.386   31.908   17.320   52.333   17.719   88.607   26.323  115.378   22.996 -26.77098 34.95277 
1 1 1   25    5   13 o   67.747   23.918   17.402   13.976   21.155   17.424   10.629   23.406   73.708   26.629   67.925   28.773 5.782982 39.20384 
1 1 1   25    5   14 o   60.679   23.289   12.791   13.726   16.988   16.950   4.7951   23.395   67.339   25.871   62.277   27.541 5.062004 37.78678 
1 1 1   25    5   15 o  103.658   20.310   44.253   14.050   25.104   17.001   85.512   24.955   74.616   26.376  137.046   27.269 -62.42965 37.93774 
1 1 1   25    5   16 o   94.069   19.051   36.968   11.978   39.562   16.517   34.091   17.396   91.182   25.288   82.879   26.687 8.302780 36.76574 
1 1 1   25    5   17 o   39.001   17.893  -2.6597   10.973   14.293   15.074 -21.7675   16.004   57.988   23.695   36.785   18.080 21.20301 29.80496 
1 1 1   25    5   18 o   43.888   19.321   4.3074   11.388   12.897   16.025  -4.4558   16.186   53.978   23.352   42.868   20.327 11.11060 30.95909 
1 1 1   25    7    0 o  202.409   9.2392  142.159   12.943  114.496   17.843  172.878   18.803  180.747   14.382  222.651   12.249 -41.90485 18.89168 
1 1 1   25    7    1 o  236.863   7.9742  194.547   13.073  191.862   18.862  197.030   18.134  234.955   11.599  238.150   11.002 -3.194962 15.98695 
1 1 1   25    7    2 o  234.219   9.0646  190.363   14.694  198.829   25.611  186.209   17.941  238.230   15.619  231.482   11.198 6.747665 19.21886 
1 1 1   25    7    3 o  332.447   7.4674  383.227   17.182  373.415   31.146  387.519   20.600  327.386   13.745  334.163   8.9070 -6.776978 16.37899 
1 1 1   25    7    4 o  227.249   9.5636  179.350   15.042  160.000   27.274  187.807   18.032  212.786   18.710  232.390   11.211 -19.60431 21.81168 
1 1 1   25    7    5 o   77.594   30.398   13.780   23.749   13.780   23.749   0.0000   0.0000   77.594   30.398  ?   ?  0.000000 30.39768 
1 1 1   25    7    6 o   84.848   23.531   26.369   14.302   10.327   27.137   32.538   16.828   78.259   31.864   93.898   25.317 -15.63889 40.69716 
1 1 1   25    7    7 o  103.028   24.815   39.485   17.485   0.0000   0.0000   39.485   17.485  ?   ?   103.028   24.815 0.000000 24.81536 
1 1 1   25    7    8 o  236.059   12.319  195.414   20.057   0.0000   0.0000  195.414   20.057  ?   ?   236.059   12.319 0.000000 12.31926 
1 1 1   25    7    9 o  132.558   14.694   62.732   13.254   49.663   18.872   75.455   18.620  114.701   24.516  144.110   19.142 -29.40871 31.10366 
1 1 1   25    7   10 o  253.614   8.3842  224.531   14.717  233.262   20.697  215.604   20.930  257.473   11.615  247.314   12.227 10.15822 16.86447 
1 1 1   25    7   11 o  135.804   13.656   66.362   12.662   50.009   17.559   84.077   18.275  113.692   23.102  151.122   17.815 -37.42915 29.17310 
1 1 1   25    7   12 o  108.282   16.878   43.798   12.236   61.235   17.863   28.382   16.796  125.976   21.244   83.898   26.125 42.07835 33.67249 
1 1 1   25    7   13 f   51.528   21.123   5.6465   12.027  -2.9566   17.010   14.248   17.009   51.243   23.017   65.830   25.742 -14.58669 34.53210 
1 1 1   25    7   14 o   69.090   26.074   18.691   17.025   18.691   17.025   0.0000   0.0000   69.090   26.074  ?   ?  0.000000 26.07415 
1 1 1   25    7   15 o   43.133   19.464  -2.2343   12.326   8.3877   16.558 -15.4363   18.459   57.087   24.192   44.528   21.280 12.55966 32.21946 
1 1 1   25    7   16 o   57.490   21.640   13.337   11.709   21.782   16.435   4.6323   16.686   68.325   25.653   52.619   23.265 15.70661 34.63157 
1 1 1   25    7   17 o   51.799   20.480   10.407   10.872   1.7380   14.883   20.326   15.919   47.143   21.320   64.131   24.952 -16.98827 32.81989 
1 1 1   25    7   18 o   38.503   17.800  -1.8814   11.158 -18.4224   15.682   15.077   15.878   36.228   17.824   55.562   23.624 -19.33369 29.59381 
1 1 1   25    9    0 o  186.454   10.060  121.053   12.935  124.510   18.136  117.473   18.453  188.572   13.995  183.023   14.691 5.548416 20.29057 
1 1 1   25    9    1 f  320.151   9.5318  355.768   21.121   0.0000   0.0000  355.768   21.121  ?   ?   320.151   9.5318 0.000000 9.531757 
1 1 1   25    9    2 o  261.159   10.284  236.889   18.588  234.390   27.555  238.976   25.180  258.734   15.458  261.540   13.961 -2.806152 20.82930 
1 1 1   25    9    3 o  102.839   18.525   38.158   12.700   47.580   23.545   34.291   15.083  113.357   29.666   96.718   22.888 16.63933 37.46913 
1 1 1   25    9    4 o  237.404   9.1168  195.694   14.980  197.366   26.628  194.920   18.119  236.998   16.334  236.748   11.058 0.2500610 19.72450 
1 1 1   25    9    5 o  152.895   13.591   82.194   14.232   86.537   26.439   80.422   16.887  153.977   25.716  150.670   16.462 3.306946 30.53396 
1 1 1   25    9    6 f  279.392   10.414  271.618   20.138   0.0000   0.0000  271.618   20.138  ?   ?   279.392   10.414 0.000000 10.41417 
1 1 1   25    9    7 o  378.474   9.2805  498.248   24.310   0.0000   0.0000  498.248   24.310  ?   ?   378.474   9.2805 0.000000 9.280525 
1 1 1   25    9    8 o  466.762   7.3657  756.953   23.795  731.707   43.433  767.781   28.443  456.665   13.742  469.705   8.7494 -13.03992 16.29085 
1 1 1   25    9    9 o  305.896   8.5506  326.113   18.103  325.268   33.097  326.473   21.624  302.524   15.862  305.603   10.224 -3.079102 18.87159 
1 1 1   25    9   10 o   81.333   22.250   25.168   12.887   12.286   18.818   36.547   17.686   68.544   26.994   96.897   25.882 -28.35364 37.39715 
1 1 1   25    9   11 o  102.753   18.133   39.508   12.424   49.180   17.475   29.621   17.668  112.544   23.205   86.595   26.767 25.94868 35.42565 
1 1 1   25    9   12 o  184.743   10.322  121.150   13.145  124.675   18.536  117.584   18.645  185.145   14.583  179.428   15.156 5.717651 21.03258 
1 1 1   25    9   13 o   37.369   17.987 -17.4174   13.731 -13.2153   16.832 -25.7756   23.739   44.776   21.079   49.033   23.613 -4.257908 31.65275 
1 1 1   25    9   14 o   38.704   17.954  -6.9999   11.491 -25.6070   16.051   12.565   16.459   37.451   18.345   62.228   25.001 -24.77739 31.00960 
1 1 1   25    9   15 o   73.452   23.687   23.777   13.701   21.455   16.729   28.507   23.880   70.030   25.962   77.087   30.393 -7.057053 39.97187 
1 1 1   25    9   16 o   68.843   22.397   21.422   12.232   41.094   17.033   0.4726   17.577   92.078   25.732   50.511   22.972 41.56665 34.49384 
1 1 1   25    9   17 o   51.405   21.502   9.1279   12.812   21.273   21.117   2.0521   16.118   64.417   27.310   48.402   22.007 16.01531 35.07348 
1 1 1   25   11    0 o  373.537   6.5328  483.553   16.889  470.206   23.803  497.085   23.968  368.066   9.3439  378.463   9.1501 -10.39685 13.07799 
1 1 1   25   11    1 o  493.273   6.0930  843.103   20.801  806.436   29.086  881.490   29.760  482.103   8.7171  504.066   8.5305 -21.96347 12.19662 
1 1 1   25   11    2 o  307.401   7.8486  327.737   16.698  302.293   29.883  339.290   20.135  294.413   14.665  312.631   9.3058 -18.21848 17.36851 
1 1 1   25   11    3 o  323.553   7.5826  363.080   16.980  327.171   29.293  381.251   20.838  306.350   13.816  331.391   9.0853 -25.04071 16.53537 
1 1 1   25   11    4 o  300.451   8.1953  313.271   17.042  276.585   31.507  328.442   20.261  280.691   16.288  307.489   9.5206 -26.79782 18.86650 
1 1 1   25   11    5 o  204.067   10.606  145.249   14.928  127.073   26.031  154.156   18.222  188.816   20.235  209.916   12.601 -21.09967 23.83724 
1 1 1   25   11    6 o  167.464   11.781   98.233   13.568   68.056   20.266  122.746   18.265  136.864   22.152  186.810   14.234 -49.94589 26.33052 
1 1 1   25   11    7 o  130.414   18.046   61.115   15.852   30.999   19.685  116.683   26.739   92.000   28.223  179.730   21.952 -87.72956 35.75503 
1 1 1   25   11    8 o   62.919   22.886   12.026   12.903   8.1222   19.733   14.942   17.053   67.017   27.216   70.793   26.219 -3.775467 37.79079 
1 1 1   25   11    9 o  144.682   15.202   74.911   14.996   81.220   28.454   72.485   17.645  144.801   29.396  141.193   18.501 3.607101 34.73363 
1 1 1   25   11   10 o   61.821   23.782   10.629   14.335   38.249   26.243  -1.1162   17.114   98.377   32.844   54.627   23.875 43.75032 40.60534 
1 1 1   25   11   11 o   97.319   22.017   36.745   14.483   8.7317   25.833   49.586   17.490   71.232   30.203  112.867   23.166 -41.63499 38.06470 
1 1 1   25   11   12 o   82.355   23.613   27.199   14.156   25.653   17.206   30.439   24.905   80.030   26.589   86.569   31.750 -6.539017 41.41261 
1 1 1   25   11   13 o   56.685   21.718   10.236   11.924   24.693   17.228  -3.0581   16.521   77.366   26.603   50.285   22.627 27.08118 34.92433 
1 1 1   25   11   14 o   45.502   19.847   0.9186   11.771   5.3150   16.389  -3.7662   16.918   55.417   23.792   49.457   22.510 5.959530 32.75272 
1 1 1   25   11   15 o   91.446   19.224   34.347   11.781   47.892   16.663   20.811   16.658  104.449   23.605   69.057   25.846 35.39256 35.00332 
1 1 1   25   11   16 f  125.593   21.093   68.141   17.685   69.268   25.075   67.024   24.946  112.423   31.151  110.161   31.266 2.262001 44.13522 
1 1 1   25   11   17 o   42.724   19.142   1.0979   11.686 -14.5227   16.355   17.389   16.703   39.776   19.265   60.603   24.873 -20.82687 31.46123 
1 1 1   25   13    0 o  409.576   7.3115  581.631   20.726  526.341   33.919  614.577   26.183  388.889   12.602  420.810   8.9899 -31.92032 15.47985 
1 1 1   25   13    1 o  417.566   6.2635  604.256   18.102  593.875   25.634  614.582   25.565  413.655   8.9536  420.828   8.7775 -7.173615 12.53839 
1 1 1   25   13    2 o  102.977   19.565   38.421   13.435 -31.9756   24.871   67.424   15.964   51.975   24.801  137.797   17.107 -85.82148 30.12861 
1 1 1   25   13    3 o  211.526   12.163  156.271   17.731   0.0000   0.0000  156.271   17.731  ?   ?   211.526   12.163 0.000000 12.16270 
1 1 1   25   13    4 o   44.713   20.166  -6.6013   13.213 -60.7317   25.104   14.137   15.539   43.335   21.539   69.062   25.117 -25.72636 33.08745 
1 1 1   25   13    5 o  283.296   7.6333  278.522   14.967  259.705   22.037  294.634   20.391  273.043   11.661  291.062   10.122 -18.01877 15.44166 
1 1 1   25   13    6 f  210.892   9.6308  154.705   14.057  165.964   20.753  145.161   19.108  217.406   13.865  203.311   13.659 14.09438 19.46241 
1 1 1   25   13    7 o   63.605   22.706   12.620   12.629   4.0554   18.521   20.062   17.265   62.155   25.913   77.263   26.628 -15.10761 37.15615 
1 1 1   25   13    8 o   94.968   20.421   33.442   13.024   19.745   19.202   45.111   17.723   77.861   27.977  109.614   24.024 -31.75262 36.87646 
1 1 1   25   13    9 o  246.035   8.3800  211.101   14.270  227.837   20.924  196.548   19.511  254.620   11.873  236.172   11.976 18.44783 16.86398 
1 1 1   25   13   10 o   83.518   21.793   26.720   12.730   19.383   18.618   33.160   17.445   75.320   27.478   91.980   26.160 -16.65968 37.93923 
1 1 1   25   13   11 o   88.362   23.774   30.856   14.858   21.468   26.444   35.187   17.961   80.933   31.960   93.384   26.538 -12.45168 41.54156 
1 1 1   25   13   12 o  197.242   11.384  139.067   15.474  146.683   27.199  135.422   18.816  195.995   20.347  192.946   14.190 3.048370 24.80637 
1 1 1   25   13   13 o   55.086   22.531   7.3464   13.645   6.9512   23.823   7.5394   16.646   64.937   28.281   58.585   24.508 6.352818 37.42261 
1 1 1   25   13   14 o   56.282   21.494   10.907   11.655   2.6031   16.368   19.449   16.601   53.061   23.266   69.162   25.819 -16.10051 34.75504 
1 1 1   25   13   15 o   82.153   23.169   30.010   13.744   0.8337   23.999   44.248   16.765   57.786   26.493   98.983   24.584 -41.19743 36.14176 
1 1 1   25   13   16 o   44.210   19.283   2.4944   11.113  -3.9175   15.860   8.6787   15.576   45.592   21.129   54.356   23.261 -8.763657 31.42486 
1 1 1   25   13   17 o   58.201   23.054   15.624   13.800   20.315   16.770   5.7854   24.288   63.005   25.263   55.310   25.805 7.695030 36.11292 
1 1 1   25   15    0 o   43.720   19.632  -5.6834   12.365 -21.5108   17.446   10.292   17.528   44.131   20.977   67.260   26.179 -23.12973 33.54676 
1 1 1   25   15    1 o  511.810   6.1746  907.833   21.872  836.885   30.582  982.128   31.295  490.997   8.9993  531.990   8.4995 -40.99292 12.37853 
1 1 1   25   15    2 o  234.372   11.650  191.132   18.898   0.0000   0.0000  191.132   18.898  ?   ?   234.372   11.650 0.000000 11.65000 
1 1 1   25   15    3 o   51.027   22.540  -4.4100   15.627   0.0000   0.0000  -4.4100   15.627  ?   ?    51.027   22.540 0.000000 22.54035 
1 1 1   25   15    4 o  116.414   15.751   48.270   12.365   9.3201   18.301   80.983   16.772   67.084   26.557  151.205   16.283 -84.12086 31.15129 
1 1 1   25   15    5 o  230.079   8.8045  183.924   14.020  187.551   20.791  180.900   18.988  231.430   13.033  227.461   12.105 3.968613 17.78705 
1 1 1   25   15    6 o  314.076   7.3122  342.447   15.895  325.427   22.961  358.110   22.026  305.591   10.856  320.752   9.9220 -15.16177 14.70707 
1 1 1   25   15    7 o  226.329   9.0479  178.302   14.173  191.512   20.849  166.953   19.325  233.508   12.951  217.996   12.866 15.51204 18.25542 
1 1 1   25   15    8 o  106.063   21.290   41.826   15.085   57.137   18.697   13.273   25.533  123.949   22.629   77.269   31.105 46.67924 38.46600 
1 1 1   25   15    9 f  113.522   16.583   46.917   12.645   17.136   18.289   74.191   17.502   73.299   27.151  142.649   18.137 -69.35043 32.65200 
1 1 1   25   15   10 o   55.193   21.704   7.5280   12.148 -17.3835   17.482   30.791   16.894   44.963   21.262   88.605   25.910 -43.64210 33.51687 
1 1 1   25   15   11 o  153.622   14.009   85.373   14.731   99.977   17.846   54.146   26.096  165.402   15.781  112.277   32.017 53.12466 35.69488 
1 1 1   25   15   12 o   73.203   23.693   21.186   13.698   40.039   24.672   12.784   16.470   95.251   31.845   64.340   25.281 30.91053 40.66043 
1 1 1   25   15   13 o  107.964   23.715   48.339   17.236   28.693   25.394   65.122   23.471   81.885   31.610  121.589   28.403 -39.70402 42.49681 
1 1 1   25   15   14 o   63.742   22.354   16.311   12.193   9.0945   17.711   22.812   16.810   59.411   25.090   72.751   26.173 -13.33990 36.25606 
1 1 1   25   15   15 f   67.697   21.807   19.845   11.614   21.006   16.537   18.715   16.315   68.634   25.740   66.076   25.383 2.558510 36.15018 
1 1 1   25   15   16 o   47.847   19.929   6.3887   10.940   19.448   15.755  -5.7729   15.204   64.643   24.914   43.502   20.336 21.14125 32.16032 
1 1 1   25   15   17 o   37.629   17.493  -3.8611   11.004   5.2120   15.660 -12.7084   15.464   49.391   22.142   39.063   18.872 10.32829 29.09350 
1 1 1   25   17    0 o  363.525   7.8378  458.457   19.720  403.659   33.472  487.590   24.405  340.138   14.218  374.691   9.4109 -34.55246 17.05070 
1 1 1   25   17    1 o  255.631   9.3527  226.957   16.547  226.390   28.120  227.257   20.466  253.924   16.083  255.555   11.571 -1.631042 19.81314 
1 1 1   25   17    2 o  196.530   13.525  135.334   18.284   0.0000   0.0000  135.334   18.284  ?   ?   196.530   13.525 0.000000 13.52477 
1 1 1   25   17    3 o  235.348   9.6700  192.495   15.751  134.683   27.792  219.852   19.118  194.271   21.004  251.361   10.989 -57.09004 23.70525 
1 1 1   25   17    4 o   43.107   19.487  -6.4918   12.420   7.7337   18.562 -18.0249   16.713   65.850   26.517   44.394   20.931 21.45651 33.78233 
1 1 1   25   17    5 o  328.931   7.0652  375.453   16.085  391.209   23.613  361.813   21.969  335.266   10.176  322.483   9.8432 12.78293 14.15787 
1 1 1   25   17    6 o  279.037   7.8269  270.502   15.116  258.114   21.657  282.270   21.107  271.956   11.506  284.556   10.717 -12.59949 15.72410 
1 1 1   25   17    7 o  137.392   13.856   66.939   12.996   42.627   18.678   89.755   18.094  106.279   25.679  158.502   16.747 -52.22264 30.65746 
1 1 1   25   17    8 o  200.798   9.7350  140.849   13.529  107.560   19.632  170.961   18.671  173.215   16.578  220.284   12.296 -47.06853 20.63989 
1 1 1   25   17    9 o  199.384   9.8131  139.281   13.542  144.035   19.819  135.119   18.546  200.891   14.349  194.747   13.850 6.143509 19.94252 
1 1 1   25   17   10 o  147.312   14.700   78.437   14.787  100.928   18.414   37.600   24.813  166.559   16.178   96.254   31.928 70.30515 35.79292 
1 1 1   25   17   11 o  123.280   14.541   55.511   12.168   75.319   17.314   36.177   17.106  141.993   18.023   94.405   25.555 47.58773 31.27109 
1 1 1   25   17   12 f   77.841   24.116   24.596   14.332   24.659   24.769   24.565   17.572   80.023   31.128   77.880   26.863 2.142738 41.11620 
1 1 1   25   17   13 o   41.670   18.833  -3.5061   11.592 -11.0392   16.953   3.1083   15.885   45.639   21.380   53.532   23.204 -7.892502 31.55180 
1 1 1   25   17   14 o   38.795   18.483 -12.9100   13.703 -17.6585   25.875 -11.0589   16.155   52.523   25.127   43.672   20.587 8.851131 32.48367 
1 1 1   25   17   15 o   39.518   18.168  -4.2932   11.394  -2.6788   16.855  -5.6518   15.462   48.372   22.186   44.809   20.800 3.563843 30.41133 
1 1 1   25   17   16 o   81.518   20.340   29.454   11.438   33.159   16.349   25.902   16.009   80.548   25.865   71.612   25.565 8.935318 36.36673 
1 1 1   25   17   17 o   52.463   20.555   11.850   10.861   18.479   15.166   4.8718   15.560   60.297   24.078   48.685   21.928 11.61114 32.56700 
1 1 1   25   19    0 o   45.425   20.752  -9.3598   14.551 -14.1610   25.159  -6.9463   17.837   60.346   27.459   53.090   23.728 7.255856 36.29067 
1 1 1   25   19    1 o  193.044   10.236  129.920   13.627  113.767   19.357  145.790   19.187  179.667   15.725  203.962   13.671 -24.29449 20.83692 
1 1 1   25   19    2 o   95.639   22.127   33.617   14.356   4.4361   26.196   46.142   17.163   73.022   30.658  112.199   22.877 -39.17676 38.25265 
1 1 1   25   19    3 o  202.786   11.224  143.614   15.692  117.463   27.551  156.171   19.091  180.721   22.516  211.148   13.129 -30.42761 26.06367 
1 1 1   25   19    4 o  211.761   9.6244  155.947   14.106  151.748   20.716  159.577   19.260  207.755   14.498  213.372   13.105 -5.617508 19.54358 
1 1 1   25   19    5 o  144.654   13.388   73.794   13.252   56.949   19.688   87.747   17.918  124.299   23.751  157.076   16.740 -32.77790 29.05790 
1 1 1   25   19    6 o  110.780   17.829   44.433   13.206   28.513   19.624   57.610   17.854   88.684   28.323  125.453   21.326 -36.76908 35.45386 
1 1 1   25   19    7 o  114.902   16.164   47.569   12.499   56.110   18.185   39.922   17.208  123.077   22.164  102.819   24.524 20.25764 33.05561 
1 1 1   25   19    8 o  108.369   17.369   42.930   12.588   44.779   18.282   41.264   17.357  108.150   24.935  103.883   24.533 4.267036 34.98019 
1 1 1   25   19    9 o  206.916   10.999  151.090   15.695  154.693   19.700  144.829   25.966  208.255   13.745  198.750   19.112 9.505188 23.54181 
1 1 1   25   19   10 o   94.917   19.431   34.256   12.335   44.640   18.475   25.903   16.569  105.814   25.522   81.489   26.025 24.32576 36.45135 
1 1 1   25   19   11 o  247.178   8.0932  214.438   13.846  228.931   20.334  201.910   18.905  253.534   11.588  238.171   11.469 15.36354 16.30374 
1 1 1   25   19   12 o   57.554   22.908   9.3394   13.685   0.6961   17.161   24.439   22.682   53.967   23.739   78.595   29.991 -24.62787 38.24940 
1 1 1   25   19   13 o  145.610   14.003   78.664   13.938   52.829   24.656   90.798   16.898  104.905   31.461  154.993   15.981 -50.08858 35.28774 
1 1 1   25   19   14 o   40.154   18.432  -4.7684   11.667   1.2216   16.825 -10.3159   16.192   51.878   23.126   43.936   20.681 7.942036 31.02393 
1 1 1   25   19   15 o   37.125   17.713 -11.3683   12.677 -25.0732   21.956  -4.5146   15.527   44.194   21.608   45.370   20.983 -1.176289 30.11962 
1 1 1   25   19   16 o   69.805   23.035   23.404   12.922   52.439   23.438   10.725   15.488   93.023   31.039   55.107   23.377 37.91601 38.85779 
1 1 1   25   19   17 o   86.731   20.794   35.691   12.321   32.148   14.831   43.580   22.133   76.551   24.640   79.212   29.764 -2.660759 38.64008 
1 1 1   25   21    0 o  133.434   14.445   62.924   13.127   29.928   18.691   95.041   18.440   90.870   27.424  163.884   16.481 -73.01413 31.99512 
1 1 1   25   21    1 o  242.086   8.6956  203.545   14.570  174.554   20.113  235.557   21.134  223.304   13.070  260.042   11.743 -36.73773 17.57074 
1 1 1   25   21    2 o  253.051   8.4984  222.397   14.884  193.973   21.470  248.699   20.653  235.364   13.233  267.249   11.166 -31.88495 17.31461 
1 1 1   25   21    3 o   97.932   22.454   35.379   14.895   41.571   26.016   32.360   18.167  106.095   32.429   93.686   26.714 12.40849 42.01501 
1 1 1   25   21    4 o  104.340   18.894   39.575   13.142   15.820   18.884   61.887   18.301   74.051   27.558  130.554   20.964 -56.50364 34.62517 
1 1 1   25   21    5 o  139.070   14.029   68.461   13.319   70.766   19.689   66.515   18.084  139.553   21.038  135.560   19.864 3.992920 28.93441 
1 1 1   25   21    6 o  256.858   8.3790  229.576   14.896  229.958   21.547  229.227   20.616  256.297   12.147  256.010   11.635 0.2868347 16.82017 
1 1 1   25   21    7 o  233.403   8.8248  189.955   14.256  175.219   20.623  203.439   19.728  222.676   13.445  240.820   11.836 -18.14392 17.91235 
1 1 1   25   21    8 o   42.645   19.785 -10.7102   13.966 -13.5987   17.274  -5.2585   23.732   46.948   21.857   61.422   27.416 -14.47411 35.06240 
1 1 1   25   21    9 o  171.984   10.772  104.569   12.758  117.596   18.922   93.710   17.275  180.550   15.286  160.853   15.718 19.69682 21.92525 
1 1 1   25   21   10 o   42.433   19.182  -4.8457   12.034  -2.7584   17.616  -6.6721   16.478   53.344   23.729   48.969   22.260 4.374935 32.53563 
1 1 1   25   21   11 o   60.697   23.167   11.708   13.537   12.712   24.262   11.254   16.312   70.901   29.618   62.810   25.006 8.091473 38.76223 
1 1 1   25   21   12 o   56.369   22.741   8.4744   13.680   16.332   24.329   4.8415   16.543   72.011   29.834   56.207   24.011 15.80389 38.29581 
1 1 1   25   21   13 o   40.992   18.604  -3.7063   11.452   6.0030   16.559 -12.6061   15.854   56.147   24.005   42.782   20.236 13.36514 31.39655 
1 1 1   25   21   14 o   66.774   21.568   18.892   11.355   39.635   16.230  -0.9980   15.893   93.794   24.671   48.938   22.091 44.85558 33.11577 
1 1 1   25   21   15 f   27.887   13.942 -26.2957   11.201 -13.1609   16.189 -38.3550   15.512   41.417   19.830   31.612   15.888 9.805059 25.40984 
1 1 1   25   21   16 o   67.235   22.886   21.902   12.745   48.117   23.148   10.499   15.267   87.626   30.797   54.324   23.133 33.30194 38.51724 
1 1 1   25   23    0 o  263.877   8.3902  241.838   15.323  239.813   21.858  243.795   21.487  262.267   12.042  264.485   11.738 -2.217468 16.81643 
1 1 1   25   23    1 o   86.858   22.505   27.792   13.638   20.859   19.384   34.589   19.193   80.167   28.181   96.733   27.414 -16.56557 39.31556 
1 1 1   25   23    2 o  173.499   11.746  105.429   14.021   85.166   20.365  123.689   19.333  154.123   19.530  187.316   15.039 -33.19272 24.64949 
1 1 1   25   23    3 o   67.223   24.714   13.256   15.103   18.327   27.201   10.996   18.159   84.219   32.659   68.266   26.625 15.95267 42.13682 
1 1 1   25   23    4 o  179.844   11.221  113.272   13.897   86.297   19.786  139.537   19.524  155.083   18.820  198.998   14.270 -43.91492 23.61841 
1 1 1   25   23    5 o  154.877   12.586   84.523   13.374   80.532   19.835   87.850   18.110  149.232   19.685  156.800   16.958 -7.568390 25.98207 
1 1 1   25   23    6 f  295.675   7.5644  304.091   15.480  279.478   22.075  327.904   21.713  282.571   11.287  306.382   10.240 -23.81088 15.23996 
1 1 1   25   23    7 o  190.101   12.030  127.545   15.746  131.580   19.131  119.073   27.724  192.266   14.483  179.186   22.877 13.07971 27.07628 
1 1 1   25   23    8 o   37.075   17.498 -12.1885   11.733 -11.3247   16.579 -13.0551   16.608   46.888   21.684   45.939   21.402 0.9486237 30.46697 
1 1 1   25   23    9 o   37.056   17.443 -11.1873   11.521  -9.7715   16.557 -12.5164   16.042   47.413   21.836   44.930   20.966 2.482780 30.27170 
1 1 1   25   23   10 f   84.451   20.926   27.847   12.169   44.535   17.639   12.693   16.809  105.325   24.637   65.304   25.576 40.02011 35.51189 
1 1 1   25   23   11 o  183.126   12.726  121.226   16.029  144.390   29.508  111.529   19.091  191.544   22.700  173.431   16.088 18.11360 27.82278 
1 1 1   25   23   12 o   96.520   18.056   36.237   11.618   23.325   16.525   48.858   16.338   75.010   26.040  109.528   22.310 -34.51794 34.29046 
1 1 1   25   23   13 o   88.459   19.361   31.672   11.524   56.280   16.497   8.2189   16.105  117.261   21.103   57.259   24.039 60.00174 31.98808 
1 1 1   25   23   14 o   63.926   21.797   17.281   11.561   3.1569   16.244   31.776   16.456   52.006   22.977   82.175   25.903 -30.16814 34.62531 
1 1 1   25   23   15 o   80.762   20.307   28.536   11.339   22.382   15.701   35.246   16.394   68.385   25.190   84.318   25.737 -15.93291 36.01302 
1 1 1   25   23   16 o   43.247   19.547   0.6048   12.492  -1.1320   15.968   3.3439   20.054   45.938   21.258   51.877   23.941 -5.938446 32.01691 
1 1 1   25   25    1 o   75.512   23.476   20.353   13.569   26.035   19.023   14.468   19.359   85.800   27.931   73.120   27.754 12.68063 39.37565 
1 1 1   25   25    2 o  172.536   12.160  104.452   14.427  116.874   20.509   92.284   20.299  181.552   16.502  160.598   18.607 20.95380 24.87073 
1 1 1   25   25    3 o  152.984   14.875   82.919   15.551   99.707   26.125   73.707   19.353  165.278   23.500  142.743   20.149 22.53505 30.95587 
1 1 1   25   25    4 o   62.139   23.059   11.115   13.204   4.6627   19.303   16.788   18.100   63.581   26.477   73.938   27.075 -10.35664 37.86898 
1 1 1   25   25    5 o  420.847   6.4450  615.110   18.773  582.239   26.314  649.179   26.789  408.657   9.3036  431.623   8.9676 -22.96628 12.92187 
1 1 1   25   25    6 o   94.470   22.891   33.765   14.810   43.238   18.117   14.683   25.714  106.433   25.016   78.090   31.293 28.34333 40.06299 
1 1 1   25   25    7 o   62.479   22.121   12.936   11.963   30.978   17.335  -3.4694   16.530   89.629   26.256   52.127   23.096 37.50234 34.96878 
1 1 1   25   25    8 o  147.757   12.271   77.777   12.435   81.844   17.617   73.739   17.554  149.537   17.344  141.388   18.373 8.149216 25.26650 
1 1 1   25   25    9 o   80.384   20.971   25.028   11.790   25.927   16.876   24.170   16.479   81.352   26.294   79.015   26.010 2.337341 36.98531 
1 1 1   25   25   10 o  183.309   12.069  120.497   15.226   88.732   27.638  134.340   18.245  146.200   28.337  192.591   13.779 -46.39066 31.50952 
1 1 1   25   25   11 o   60.318   22.267   12.678   12.280   0.8774   17.282   24.712   17.452   54.265   23.848   77.677   26.772 -23.41128 35.85342 
1 1 1   25   25   12 o   34.434   16.430 -11.9852   10.911  -9.0735   15.631 -14.7518   15.237   44.621   20.779   40.915   19.492 3.706097 28.49092 
1 1 1   25   25   13 o   76.736   21.373   24.876   11.772   17.054   16.490   33.007   16.812   65.745   25.447   85.068   26.080 -19.32310 36.43777 
1 1 1   25   25   14 o   53.091   21.163   9.4878   11.697  -3.8517   16.052   24.591   17.080   46.683   21.500   72.273   26.326 -25.59045 33.98933 
1 1 1   25   25   15 f   87.919   21.115   34.547   12.687   23.111   15.392   58.780   22.405   68.711   24.997  103.435   29.722 -34.72398 38.83578 
1 1 1   25   25   16 o   59.926   21.169   17.033   10.949   12.058   15.561   21.911   15.410   54.600   23.305   64.359   24.682 -9.759842 33.94558 
1 1 1   25   27    0 o  150.760   13.871   80.292   14.311   97.982   20.110   62.143   20.369  165.654   17.820  129.861   23.530 35.79292 29.51626 
1 1 1   25   27    1 o  168.543   12.671   99.902   14.673   78.893   20.664  121.267   20.838  147.542   20.814  184.833   16.461 -37.29106 26.53642 
1 1 1   25   27    2 o  293.317   7.9313  299.048   16.101  263.564   22.256  338.012   23.322  274.653   11.708  311.249   10.826 -36.59631 15.94653 
1 1 1   25   27    3 o  100.909   22.332   37.910   15.184   62.049   26.785   26.479   18.432  127.008   30.790   85.518   27.463 41.49072 41.25839 
1 1 1   25   27    4 o  124.128   18.010   55.847   15.021   90.244   26.504   39.573   18.231  155.471   25.517  102.116   25.789 53.35503 36.27946 
1 1 1   25   27    5 o  182.322   12.694  117.429   15.919  100.620   19.466  151.366   27.659  167.306   17.049  204.316   19.808 -37.01007 26.13520 
1 1 1   25   27    6 o  137.367   13.504   67.310   12.673   72.281   18.382   62.808   17.494  140.253   19.462  130.361   20.031 9.892578 27.92807 
1 1 1   25   27    7 o  138.064   12.871   68.055   12.158   78.268   17.524   58.578   16.880  146.268   17.669  125.238   20.159 21.03029 26.80594 
1 1 1   25   27    8 o   51.521   20.986   5.0051   11.778 -10.9551   17.078   19.482   16.265   47.567   22.002   73.377   25.814 -25.81003 33.91779 
1 1 1   25   27    9 o   78.886   24.456   24.548   14.736 -40.0780   26.384   53.847   17.765   48.659   23.769  117.315   22.701 -68.65526 32.86769 
1 1 1   25   27   10 o   41.966   18.964  -4.2164   11.751  -3.4565   17.064  -4.9017   16.205   51.295   23.046   49.051   22.209 2.243870 32.00565 
1 1 1   25   27   11 o   68.035   21.930   18.394   11.745   28.159   16.669   8.7675   16.551   81.503   26.111   59.582   24.639 21.92101 35.90083 
1 1 1   25   27   12 o   70.576   23.610   20.752   13.561   18.395   24.731   21.765   16.216   71.727   29.928   72.028   25.727 -0.3005676 39.46595 
1 1 1   25   27   13 o   62.648   21.766   16.125   11.547   10.462   16.000   22.280   16.682   58.367   24.188   71.008   25.994 -12.64084 35.50710 
1 1 1   25   27   14 o   45.207   20.167   0.5248   12.822   0.2498   15.638   1.0888   22.397   48.508   21.903   55.414   25.475 -6.905960 33.59614 
1 1 1   25   27   15 o   44.191   19.088   3.6281   10.674  -3.4862   14.399   12.305   15.902   43.388   20.116   56.692   23.848 -13.30397 31.19932 
1 1 1   25   27   16 o   41.059   18.309   1.8146   10.554  -1.7421   14.680   5.6200   15.185   43.246   20.138   48.555   21.783 -5.309155 29.66576 
1 1 1   25   29    0 o   95.451   22.340   33.973   14.497   53.343   20.958   16.201   20.074  118.961   26.166   75.062   28.317 43.89871 38.55511 
1 1 1   25   29    1 o  112.057   19.015   45.816   14.220   58.629   20.411   33.732   19.822  125.354   24.404   94.837   28.156 30.51657 37.26018 
1 1 1   25   29    2 o  171.186   12.244  103.179   14.411   90.825   20.333  115.650   20.429  158.649   18.889  180.051   16.580 -21.40152 25.13350 
1 1 1   25   29    3 o   45.794   20.573  -5.5610   13.594 -13.5365   19.466   2.0317   18.993   51.065   23.574   60.651   25.814 -9.586678 34.95834 
1 1 1   25   29    4 o  335.451   9.9682  393.351   23.143  361.951   31.459  430.390   34.168  320.137   14.198  349.122   14.140 -28.98526 20.03836 
1 1 1   25   29    5 o  142.844   13.813   72.808   13.486   90.185   19.176   55.804   18.969  157.614   17.896  121.425   23.420 36.18913 29.47503 
1 1 1   25   29    6 o  110.113   16.929   44.477   12.489   61.161   18.253   29.792   17.124  127.587   21.431   87.738   26.198 39.84924 33.84703 
1 1 1   25   29    7 f  160.866   11.618   91.919   12.848   61.912   18.129  122.197   18.210  127.902   21.223  184.395   14.383 -56.49255 25.63780 
1 1 1   25   29    8 o   55.150   21.697   7.8505   12.146  -8.5172   17.574   22.818   16.806   49.570   22.706   77.299   26.281 -27.72882 34.73107 
1 1 1   25   29    9 o   86.142   21.512   29.303   12.787   24.543   18.146   33.998   18.021   78.855   27.292   90.656   26.831 -11.80138 38.27245 
1 1 1   25   29   10 o  128.823   13.956   60.940   12.245   75.213   17.407   46.959   17.227  140.510   18.336  107.202   23.836 33.30740 30.07279 
1 1 1   25   29   11 o   62.284   21.771   14.850   11.561   16.576   16.363   13.129   16.335   66.854   25.482   63.183   25.065 3.671646 35.74375 
1 1 1   25   29   12 o   52.032   21.809   5.9519   13.222   11.283   16.031  -5.3902   23.382   59.963   24.461   55.534   25.707 4.429245 35.48533 
1 1 1   25   29   13 o   45.213   19.429   2.8693   10.947   4.5200   14.143   0.4020   17.291   50.826   21.962   51.221   23.089 -0.3952332 31.86585 
1 1 1   25   29   14 o   78.645   20.769   27.282   11.472   19.365   15.806   36.096   16.677   65.114   24.991   85.366   25.937 -20.25192 36.01728 
1 1 1   25   29   15 o   41.983   18.729   1.1102   11.057   21.618   15.603 -19.5774   15.671   65.238   24.879   36.941   18.103 28.29752 30.76822 
1 1 1   25   31    0 o  217.533   14.957  167.855   22.382  212.390   33.733  132.829   29.916  242.447   20.290  190.074   23.224 52.37306 30.83828 
1 1 1   25   31    1 o   66.445   23.894   14.066   14.009  -1.1778   19.889   29.076   19.735   59.449   25.866   88.608   28.414 -29.15949 38.42405 
1 1 1   25   31    2 o  172.197   12.182  104.616   14.425  122.561   20.850   88.142   19.977  185.056   16.450  155.842   18.909 29.21397 25.06287 
1 1 1   25   31    3 o  182.631   13.166  118.150   16.531  111.880   20.060  131.415   29.180  176.491   16.618  188.519   22.829 -12.02844 28.23730 
1 1 1   25   31    4 o  133.799   16.644   64.874   15.080  111.561   26.003   41.215   18.511  173.375   22.179  103.143   25.952 70.23167 34.13826 
1 1 1   25   31    5 o  220.513   9.3958  170.287   14.340  143.222   20.062  198.561   20.505  200.087   14.587  236.708   12.561 -36.62077 19.25018 
1 1 1   25   31    6 o  197.051   10.040  136.804   13.647  132.647   19.243  141.011   19.357  192.148   14.578  198.329   14.196 -6.181168 20.34809 
1 1 1   25   31    7 o  205.855   9.4518  148.982   13.466  118.668   19.267  177.936   18.830  180.742   15.553  223.493   12.219 -42.75050 19.77920 
1 1 1   25   31    8 o   55.746   23.910   2.8166   16.522   0.0000   0.0000   2.8166   16.522  ?   ?    55.746   23.910 0.000000 23.90960 
1 1 1   25   31    9 o   51.628   21.101   5.6164   11.958   1.8650   16.972   9.3148   16.852   55.001   23.913   61.244   25.043 -6.242470 34.62576 
1 1 1   25   31   10 o  169.563   10.636  103.070   12.419  118.830   17.503   87.089   17.626  179.753   14.184  151.731   17.081 28.02127 22.20218 
1 1 1   25   31   11 o   63.557   21.591   16.002   11.343  -3.3958   16.028   35.465   16.055   48.574   22.031   90.438   24.873 -41.86383 33.22700 
1 1 1   25   31   12 o   41.646   18.741  -2.1226   11.336 -12.4474   15.697   9.1290   16.387   42.115   19.984   57.736   24.244 -15.62135 31.41872 
1 1 1   25   31   13 o   34.527   16.860 -18.9896   13.244  -7.6829   20.678 -26.8536   17.245   49.859   23.438   37.797   18.614 12.06195 29.93053 
1 1 1   25   31   14 o   77.416   20.415   26.608   11.095   27.237   15.531   25.952   15.856   73.837   25.264   72.010   25.470 1.827286 35.87476 
1 1 1   25   31   15 o   42.596   19.017   1.7687   11.425   6.3091   15.948  -3.0179   16.374   50.412   22.490   44.900   21.026 5.512295 30.78838 
1 1 1   25   33    0 o  196.986   13.201  137.426   17.894  159.978   21.840   91.366   31.212  211.921   14.987  152.749   30.590 59.17239 34.06388 
1 1 1   25   33    1 o  184.322   12.035  119.961   15.269   80.807   21.178  162.338   22.033  147.814   21.318  213.424   15.012 -65.60933 26.07271 
1 1 1   25   33    2 o  361.096   14.758  462.780   36.882   0.0000   0.0000  462.780   36.882  ?   ?   361.096   14.758 0.000000 14.75756 
1 1 1   25   33    3 o  113.121   18.147   47.126   13.728   21.534   19.680   71.378   19.158   78.858   28.324  138.685   20.584 -59.82675 35.01368 
1 1 1   25   33    4 o  186.640   12.351  123.605   15.864   91.610   26.541  141.389   19.788  154.211   25.777  198.771   14.483 -44.56039 29.56752 
1 1 1   25   33    5 o  180.893   11.130  115.817   13.867   91.563   19.648  139.889   19.574  157.714   18.342  197.425   14.425 -39.71049 23.33485 
1 1 1   25   33    6 o   89.391   20.935   30.814   12.725  -2.1443   18.251   61.989   17.750   54.926   24.306  127.834   20.775 -72.90814 31.97498 
1 1 1   25   33    7 o  137.599   16.185   69.722   15.119   67.707   28.107   70.543   17.935  125.221   32.238  136.621   19.523 -11.39994 37.68893 
1 1 1   25   33    8 o   89.088   21.959   31.570   13.453   34.328   17.015   26.971   21.973   91.204   25.800   82.167   29.870 9.036484 39.46953 
1 1 1   25   33    9 o  104.461   17.214   41.545   12.012   58.173   16.860   24.406   17.117  121.693   20.763   77.270   26.521 44.42342 33.68147 
1 1 1   25   33   10 o   70.211   21.404   19.988   11.343   0.5633   15.818   40.555   16.276   51.450   22.705   98.026   24.148 -46.57574 33.14579 
1 1 1   25   33   11 f   85.507   19.231   29.588   11.105   37.178   15.507   21.599   15.910   92.611   23.998   71.315   25.482 21.29632 35.00344 
1 1 1   25   33   12 f   33.789   16.490 -18.6694   12.613 -23.5369   15.121  -7.5317   22.872   36.081   17.701   52.865   24.787 -16.78421 30.45848 
1 1 1   25   33   13 o   63.524   22.825   17.757   12.781   14.635   15.139   25.502   23.844   60.272   24.061   71.413   29.556 -11.14146 38.11174 
1 1 1   25   33   14 o   28.997   14.378 -20.8645   10.927 -20.8116   14.943 -20.9252   16.019   35.681   17.524   37.165   18.230 -1.483963 25.28700 
1 1 1   25   33   15 o   46.259   20.219   5.6184   12.274   43.654   22.155 -11.2257   14.743   79.406   29.790   38.331   18.496 41.07488 35.06501 
1 1 1   25   35    0 o   54.993   23.787   0.1695   16.624   11.062   19.828 -25.6049   30.501   68.445   27.461   60.119   28.324 8.326252 39.45064 
1 1 1   25   35    1 f   40.400   19.999 -44.5356   20.820 -44.5356   20.820   0.0000   0.0000   40.400   19.999  ?   ?  0.000000 19.99860 
1 1 1   25   35    2 o  317.744   7.7756  352.298   17.100  334.763   24.392  369.245   23.979  308.257   11.433  324.105   10.690 -15.84821 15.65169 
1 1 1   25   35    3 o   34.073   16.631 -22.4274   12.849 -19.2678   18.637 -25.2904   17.740   46.039   21.825   41.891   20.232 4.148174 29.75978 
1 1 1   25   35    4 o   45.849   20.297  -2.6067   12.738  -5.5855   17.892   0.4549   18.140   52.304   23.540   56.918   24.734 -4.613560 34.14526 
1 1 1   25   35    5 o  164.798   13.458   97.552   15.216   69.366   25.542  113.057   18.944  130.290   29.063  176.370   15.683 -46.08080 33.02477 
1 1 1   25   35    6 o   73.996   25.051   20.823   15.269   33.478   28.186   15.568   18.165   91.170   33.719   69.564   26.768 21.60587 43.05279 
1 1 1   25   35    7 o  203.454   9.9141  146.386   13.960  120.313   19.835  171.979   19.652  180.768   16.020  218.465   13.057 -37.69745 20.66693 
1 1 1   25   35    8 o   88.083   20.562   30.725   12.307   31.781   17.296   29.642   17.516   86.988   26.410   84.155   26.745 2.832855 37.58701 
1 1 1   25   35    9 o  130.819   13.780   63.089   12.289   71.457   17.842   55.536   16.951  135.322   19.623  117.664   21.611 17.65800 29.19038 
1 1 1   25   35   10 o   56.856   21.310   11.393   11.331   4.3399   16.148   18.234   15.904   54.403   23.488   67.874   25.284 -13.47089 34.51066 
1 1 1   25   35   11 o   65.427   23.203   17.739   13.167   15.006   15.623   24.439   24.465   62.980   24.660   74.433   30.275 -11.45312 39.04666 
1 1 1   25   35   12 o   36.227   17.028  -7.8095   10.910   1.6455   14.994 -18.4488   15.906   49.171   21.881   39.069   18.941 10.10172 28.94058 
1 1 1   25   35   13 o   62.793   21.637   17.553   11.399   33.137   14.841  -4.8716   17.803   83.028   24.286   47.168   22.036 35.85993 32.79279 
1 1 1   25   35   14 o   54.227   23.143   10.973   15.341   4.1180   18.736   24.917   26.724   51.410   23.510   65.951   29.287 -14.54029 37.55613 
1 1 1   25   37    0 o   60.101   22.622   10.818   12.796 -17.7415   24.272   21.809   15.058   55.035   25.717   76.266   24.852 -21.23075 35.76289 
1 1 1   25   37    1 o  162.060   19.304   97.166   21.226   97.166   21.226   0.0000   0.0000  162.060   19.304  ?   ?  0.000000 19.30354 
1 1 1   25   37    2 f  180.039   12.205  115.316   15.118   85.568   21.280  145.634   21.483  150.947   20.932  200.766   15.583 -49.81891 26.09566 
1 1 1   25   37    3 o  181.213   11.511  116.610   14.362   89.806   20.179  144.125   20.445  155.408   19.167  199.889   14.885 -44.48082 24.26785 
1 1 1   25   37    4 o   58.060   22.610   9.2616   13.080 -33.4051   18.577   51.207   18.419   39.926   19.594  114.077   24.084 -74.15094 31.04843 
1 1 1   25   37    5 o   97.415   25.745   38.484   17.620   0.0000   0.0000   38.484   17.620  ?   ?    97.415   25.745 0.000000 25.74498 
1 1 1   25   37    6 o  207.303   9.8551  151.917   14.140  132.260   19.465  173.880   20.575  190.380   14.891  219.322   13.622 -28.94189 20.18136 
1 1 1   25   37    7 o  152.489   12.236   83.936   12.805   84.444   17.615   83.367   18.647  149.966   17.288  148.112   18.600 1.853561 25.39380 
1 1 1   25   37    8 o   59.428   22.059   12.288   12.084   20.799   17.412   4.3785   16.784   72.681   26.564   56.118   24.085 16.56324 35.85681 
1 1 1   25   37    9 f   28.274   14.131 -28.4415   11.458 -17.2199   16.219 -39.6230   16.190   41.303   19.795   33.268   16.652 8.035007 25.86722 
1 1 1   25   37   10 o   63.101   23.531   15.468   13.782   6.7972   16.201   38.171   26.215   55.986   23.835   86.946   32.447 -30.95987 40.26086 
1 1 1   25   37   11 o  133.624   12.966   66.801   11.840   56.400   15.954   79.553   17.666  116.495   20.538  140.692   18.598 -24.19704 27.70718 
1 1 1   25   37   12 f   33.318   16.115 -13.9455   11.354 -13.4593   15.225 -14.5547   17.042   39.981   19.166   42.014   20.176 -2.033203 27.82822 
1 1 1   25   37   13 o   36.693   18.105 -24.7294   16.582 -42.7805   22.515  -3.3302   24.514   38.901   19.496   52.977   25.089 -14.07608 31.77379 
1 1 1   25   37   14 o   53.194   22.630   11.340   14.584   11.340   14.584   0.0000   0.0000   53.194   22.630  ?   ?  0.000000 22.62976 
1 1 1   25   39    0 o  240.334   9.1329  202.774   15.191  189.219   27.966  208.448   18.094  226.991   17.948  243.002   10.758 -16.01126 20.92500 
1 1 1   25   39    1 o   37.385   17.540 -10.4709   11.484   5.6829   26.445 -14.2252   12.749   69.761   30.089   37.745   17.939 32.01616 35.03046 
1 1 1   25   39    2 o   94.029   25.163   35.327   16.698   49.951   27.189   26.472   21.158  107.914   33.180   83.072   29.418 24.84209 44.34359 
1 1 1   25   39    3 o   65.097   23.530   14.649   13.607  -0.1534   19.205   29.568   19.281   57.306   25.163   85.858   28.129 -28.55138 37.74128 
1 1 1   25   39    4 o   51.107   22.617  -1.7701   15.804   32.976   30.998 -13.9740   18.371   90.922   34.973   47.500   22.253 43.42186 41.45267 
1 1 1   25   39    5 o   80.355   24.101   25.934   14.468   16.668   22.820   32.163   18.710   73.180   29.425   88.016   27.601 -14.83535 40.34396 
1 1 1   25   39    6 o  118.714   16.845   52.996   13.452   29.400   18.473   79.631   19.627   83.916   27.535  143.530   20.326 -59.61398 34.22447 
1 1 1   25   39    7 o   72.398   21.830   21.066   11.847   23.590   17.010   18.687   16.510   75.988   26.417   70.035   25.826 5.953751 36.94337 
1 1 1   25   39    8 o   65.215   21.987   16.805   11.761   2.4910   16.451   31.770   16.821   53.714   23.444   85.519   26.063 -31.80422 35.05606 
1 1 1   25   39    9 o   95.835   21.273   37.932   13.742   33.231   16.544   48.395   24.680   86.446   25.736   98.623   31.790 -12.17783 40.90216 
1 1 1   25   39   10 o   61.877   21.491   15.586   11.257   9.2971   15.789   22.088   16.053   57.210   23.895   70.902   25.568 -13.69157 34.99586 
1 1 1   25   39   11 o   67.796   21.914   20.127   11.722   12.712   15.705   29.453   17.612   59.278   24.200   77.719   26.888 -18.44074 36.17467 
1 1 1   25   39   12 o   37.833   17.954  -9.3771   12.678 -14.9914   15.121   3.9054   23.258   38.759   18.709   56.441   25.951 -17.68104 31.99249 
1 1 1   25   39   13 o   51.617   21.869   9.1117   13.525   20.462   15.820 -21.7268   26.077   63.659   24.845   46.875   23.047 16.78392 33.88878 
1 1 1   25   41    0 o   73.790   21.274   21.122   11.462   4.6132   23.460   26.297   13.136   65.417   28.277   81.730   22.507 -16.31332 36.14106 
1 1 1   25   41    1 o   77.345   21.012   23.317   11.540   43.444   26.193   18.469   12.855  100.376   32.781   69.805   22.972 30.57106 40.02866 
1 1 1   25   41    2 o   63.876   22.444   14.624   12.294   3.9537   24.774   18.110   14.161   66.040   28.798   69.709   24.111 -3.669655 37.55901 
1 1 1   25   41    3 o  107.081   18.450   43.568   13.180   0.0000   0.0000   43.568   13.180  ?   ?   107.081   18.450 0.000000 18.45037 
1 1 1   25   41    4 o   75.644   23.482   22.776   13.581   17.175   19.308   28.262   19.106   71.044   27.525   82.983   28.023 -11.93974 39.27977 
1 1 1   25   41    5 o   44.000   20.300  -7.9241   14.401 -22.8878   22.755   2.0727   18.599   49.089   23.505   57.009   24.904 -7.920330 34.24460 
1 1 1   25   41    6 o   82.516   23.828   28.202   14.369   6.8390   22.692   42.501   18.565   64.096   27.758   99.630   26.473 -35.53399 38.35760 
1 1 1   25   41    7 o   46.242   20.162   0.7241   12.138  -3.8688   17.245   5.2341   17.089   50.302   22.829   56.699   24.317 -6.396996 33.35413 
1 1 1   25   41    8 o   51.386   21.901   4.3492   13.705 -13.7849   16.411   46.151   24.916   43.024   20.420   96.523   31.993 -53.49926 37.95444 
1 1 1   25   41    9 o   86.930   20.235   31.296   11.947   24.250   17.094   38.024   16.703   73.800   26.409   91.811   25.419 -18.01080 36.65462 
1 1 1   25   41   10 o   69.173   21.837   20.761   11.692   30.659   16.359   10.424   16.717   80.647   25.870   58.242   24.474 22.40474 35.61185 
1 1 1   25   41   11 f  101.546   17.616   42.099   11.932   36.751   15.999   48.800   17.910   87.493   25.108  101.003   25.590 -13.50990 35.85114 
1 1 1   25   41   12 o   55.005   22.162   11.999   12.973   9.6542   15.618   17.220   23.302   54.192   23.245   62.763   27.634 -8.571777 36.11050 
1 1 1   25   41   13 o   76.557   23.125   29.973   13.286   31.242   15.623   26.659   25.253   74.953   25.340   65.098   28.710 9.855423 38.29309 
1 1 1   25   43    0 o  151.222   11.530   81.946   11.977   94.683   24.853   78.093   13.669  154.499   24.023  146.619   13.626 7.880539 27.61789 
1 1 1   25   43    1 o   99.200   17.651   37.346   11.674   18.337   23.843   43.340   13.389   75.076   30.116  106.412   18.871 -31.33569 35.53985 
1 1 1   25   43    2 o   65.937   23.016   16.162   12.918   0.0000   0.0000   16.162   12.918  ?   ?    65.937   23.016 0.000000 23.01578 
1 1 1   25   43    3 o  174.819   10.498  109.013   12.643  117.219   27.733  106.860   14.205  171.184   24.073  172.303   11.986 -1.119507 26.89165 
1 1 1   25   43    4 o   90.005   19.083   31.642   11.519   42.610   25.766   28.903   12.877   96.504   32.543   84.649   21.836 11.85537 39.19001 
1 1 1   25   43    5 o   43.549   20.757 -16.8848   17.320   3.8122   23.376 -42.0780   25.790   62.568   27.607   46.160   22.739 16.40807 35.76588 
1 1 1   25   43    6 o  109.172   20.382   47.561   14.834   65.707   24.172   36.596   18.789  120.769   29.233   90.767   27.519 30.00179 40.14776 
1 1 1   25   43    7 o   58.100   22.209   11.735   12.452   4.7833   17.490   18.881   17.731   56.154   24.344   69.148   26.486 -12.99398 35.97380 
1 1 1   25   43    8 o   58.124   21.853   12.481   11.934   11.213   17.003   13.712   16.755   60.351   24.967   62.537   25.189 -2.186378 35.46622 
1 1 1   25   43    9 o   73.613   22.014   23.550   12.085   31.967   17.741   16.262   16.507   81.807   26.990   63.961   25.253 17.84630 36.96180 
1 1 1   25   43   10 o   64.361   21.862   18.066   11.629   31.265   17.079   6.6584   15.878   79.714   26.491   53.649   23.227 26.06488 35.23141 
1 1 1   25   43   11 o   49.726   21.247   6.3929   12.960   9.1024   21.362   4.8149   16.302   57.827   25.897   51.454   22.861 6.372753 34.54374 
1 1 1   25   43   12 o   65.414   23.279   21.394   13.265   23.569   15.570   15.639   25.330   66.870   24.996   60.512   27.542 6.357941 37.19358 
1 1 1   25   45    0 o   95.558   17.936   35.066   11.426   0.4071   23.176   46.197   13.134   60.957   27.160  110.046   17.856 -49.08827 32.50353 
1 1 1   25   45    1 o   86.536   21.914   30.179   13.139   0.0000   0.0000   30.179   13.139  ?   ?    86.536   21.914 0.000000 21.91432 
1 1 1   25   45    2 f   53.345   20.857   8.1799   11.164 -23.9463   25.191   16.032   12.454   51.489   24.674   65.016   22.604 -13.52705 33.46297 
1 1 1   25   45    3 o   90.146   20.417   32.398   12.443   66.000   26.246   22.656   14.132  120.347   31.237   74.507   24.060 45.83994 39.42943 
1 1 1   25   45    4 o   59.126   21.589   12.547   11.496 -23.1415   27.436   20.148   12.662   53.777   25.765   70.564   22.773 -16.78699 34.38675 
1 1 1   25   45    5 o   53.495   20.732   8.9401   10.956 -20.7415   23.997   16.756   12.314   50.418   24.140   65.165   22.487 -14.74647 32.99115 
1 1 1   25   45    6 o  125.337   13.165   58.171   11.250   44.961   23.651   62.034   12.789   96.020   31.138  128.504   14.641 -32.48435 34.40843 
1 1 1   25   45    7 o  178.584   14.785  120.296   18.110  122.585   25.876  118.098   25.355  171.803   22.287  168.629   22.269 3.174026 31.50613 
1 1 1   25   45    8 o   61.903   22.539   15.588   12.518   26.432   18.637   6.6753   16.896   75.173   27.481   55.636   24.023 19.53658 36.50130 
1 1 1   25   45    9 o   44.618   19.663   1.2524   11.825  -5.2101   17.615   6.5535   15.954   47.679   22.155   53.845   23.297 -6.166096 32.14951 
1 1 1   25   45   10 o   36.866   17.672 -12.0340   12.945 -49.6098   21.716   8.6798   16.123   36.952   18.601   54.679   23.539 -17.72712 30.00134 
1 1 1   25   45   11 o   42.700   18.933   1.7167   11.128  -3.6007   15.386   7.5476   16.112   44.186   20.590   52.357   23.017 -8.171364 30.88272 
1 1 1   25   47    0 o  103.530   19.282   42.036   13.308   0.0000   0.0000   42.036   13.308  ?   ?   103.530   19.282 0.000000 19.28246 
1 1 1   25   47    1 o   44.551   19.299   0.8451   10.975   1.2420   21.607   0.7071   12.741   58.969   26.253   47.322   20.644 11.64766 33.39715 
1 1 1   25   47    2 o  101.975   17.105   39.958   11.645   48.576   26.463   37.889   12.968  100.243   32.959   97.617   19.870 2.626762 38.48560 
1 1 1   25   47    3 o   43.333   19.385  -2.1541   11.935 -18.9951   25.394   2.6203   13.521   52.732   25.134   49.936   21.526 2.796898 33.09233 
1 1 1   25   47    4 o   40.102   18.557  -6.8004   12.168 -24.5268   24.998  -1.2962   13.929   49.934   24.092   47.056   21.004 2.878048 31.96211 
1 1 1   25   47    5 o   65.611   21.358   17.563   11.122 -41.5024   25.071   32.036   12.410   44.510   22.017   88.196   20.688 -43.68584 30.21213 
1 1 1   25   47    6 o   43.988   19.388   0.1988   11.500 -36.3366   22.221   13.564   13.440   42.185   20.842   60.308   23.068 -18.12238 31.08914 
1 1 1   25   47    7 f   63.206   23.217   16.427   13.324  -9.4244   23.084   29.342   16.316   52.274   24.632   79.495   25.868 -27.22023 35.71929 
1 1 1   25   47    8 o   80.758   19.193   27.348   10.570   14.571   25.332   30.041   11.630   65.406   28.805   83.931   20.253 -18.52430 35.21264 
1 1 1   25   47    9 o  107.394   15.753   45.792   11.361   0.0000   0.0000   45.792   11.361  ?   ?   107.394   15.753 0.000000 15.75321 
1 1 1   25   47   10 o   34.796   16.559  -8.8653   10.934  -1.7204   14.911 -17.1751   16.080   45.048   20.737   38.698   18.826 6.350113 28.00808 
1 1 1   25   49    0 o  143.777   15.947   78.246   15.601   80.780   25.231   76.678   19.851  135.128   27.903  137.748   21.526 -2.619965 35.24083 
1 1 1   25   49    1 o   27.088   13.567 -28.0671   10.819  -6.5707   21.666 -35.2085   12.488   53.806   24.850   28.125   14.151 25.68043 28.59684 
1 1 1   25   49    2 o   42.462   18.815  -0.9495   10.971   13.580   22.712  -5.3722   12.530   67.136   28.385   41.685   19.123 25.45033 34.22562 
1 1 1   25   49    3 o   75.254   22.541   23.938   12.663   60.780   25.839   12.293   14.526  110.851   31.937   60.094   23.701 50.75640 39.77058 
1 1 1   25   49    4 f  108.987   17.086   46.369   12.464   19.507   26.487   54.009   14.126   72.090   30.576  117.056   18.014 -44.96581 35.48819 
1 1 1   25   49    5 o   54.007   21.404   9.4158   11.900   15.834   24.910   7.5177   13.546   68.125   29.292   53.517   22.224 14.60732 36.76857 
1 1 1   25   49    6 o   79.084   19.463   26.069   10.581   7.0683   24.081   30.615   11.779   61.310   27.474   85.305   20.253 -23.99525 34.13171 
1 1 1   25   49    7 o   76.754   23.993   27.132   14.150   28.302   25.383   26.604   17.044   74.666   30.656   74.468   26.400 0.1971664 40.45695 
1 1 1   25   49    8 o   80.217   21.790   28.952   12.411   0.0000   0.0000   28.952   12.411  ?   ?    80.217   21.790 0.000000 21.78955 
1 1 1   25   49    9 o   94.946   16.498   36.905   10.448  -3.3946   24.311   46.034   11.571   52.809   25.003  106.490   16.211 -53.68121 29.79835 
1 1 1   25   49   10 o   31.655   15.333 -11.9227   10.369 -16.6195   22.295 -10.6263   11.713   44.832   21.889   34.682   16.674 10.14994 27.51600 
1 1 1   25   51    0 o   81.942   24.224   29.401   14.696   33.239   24.472   27.237   18.378   82.868   31.264   77.673   27.427 5.195602 41.58979 
1 1 1   25   51    1 o   87.472   18.942   30.914   11.136   4.5010   23.422   38.628   12.658   60.764   27.171   97.738   19.397 -36.97411 33.38437 
1 1 1   25   51    2 o   89.347   19.239   32.453   11.545   38.234   23.211   30.553   13.308   87.501   30.831   84.461   22.400 3.039429 38.10905 
1 1 1   25   51    3 o  169.069   14.615  108.068   16.933   42.566   26.743  151.904   21.878   89.300   32.878  198.953   16.024 -109.6532 36.57494 
1 1 1   25   51    4 o   64.824   22.948   17.658   12.873   12.483   23.966   19.756   15.262   64.856   28.302   67.743   24.853 -2.887222 37.66562 
1 1 1   25   51    5 o   47.238   19.866   4.7813   11.030 -38.1317   25.822   14.358   12.199   45.059   22.299   59.787   22.169 -14.72755 31.44385 
1 1 1   25   51    6 o   40.136   18.520  -4.6661   11.993   0.0000   0.0000  -4.6661   11.993  ?   ?    40.136   18.520 0.000000 18.52003 
1 1 1   25   51    7 o   48.689   19.894   7.2045   10.625   45.376   26.916   0.1594   11.563   85.438   32.654   42.809   19.121 42.62923 37.84069 
1 1 1   25   51    8 o   47.803   21.237   3.2841   14.066 -10.3317   24.565   9.9253   17.156   50.291   24.170   55.462   24.077 -5.171165 34.11642 
1 1 1   25   51    9 o   62.119   20.825   18.102   10.551   26.444   25.203   16.329   11.618   66.465   29.014   59.049   21.681 7.416012 36.21936 
1 1 1   25   53    0 o   70.054   21.210   20.875   11.167  -8.8537   23.451   29.594   12.700   53.025   24.937   82.926   21.829 -29.90097 33.14148 
1 1 1   25   53    1 o   38.545   18.569 -16.1687   14.711   11.546   23.617 -33.7398   18.805   64.033   28.015   38.174   18.916 25.85888 33.80362 
1 1 1   25   53    2 o   45.651   19.756   2.4708   11.477   23.234   22.320  -4.9927   13.382   71.851   29.027   42.554   19.610 29.29678 35.03014 
1 1 1   25   53    3 o   44.066   19.526   0.3532   11.817  -7.9463   24.909   2.7637   13.424   54.158   25.540   48.341   21.137 5.816685 33.15184 
1 1 1   25   53    4 o   37.195   17.334  -6.2893   10.911   18.795   26.200 -11.5523   12.001   68.230   29.687   35.930   17.168 32.29978 34.29384 
1 1 1   25   53    5 o   77.155   21.026   26.209   11.535 -14.0293   26.683   35.457   12.792   52.251   25.131   90.322   20.880 -38.07080 32.67373 
1 1 1   25   53    6 o   87.835   21.017   34.205   12.605 -21.8878   27.396   49.270   14.198   49.545   24.206  107.292   19.850 -57.74657 31.30436 
1 1 1   25   53    7 f   65.991   20.964   19.953   10.763   3.1629   25.572   23.568   11.865   56.172   26.296   70.830   21.942 -14.65815 34.24820 
1 1 1   25   55    0 o   45.604   19.626   3.1877   11.201 -21.1171   22.851   10.874   12.851   46.721   22.663   55.523   22.167 -8.802059 31.70118 
1 1 1   25   55    1 o   28.675   14.304 -25.9362   11.495 -23.5024   22.490 -26.7969   13.374   45.438   22.140   31.752   15.771 13.68580 27.18300 
1 1 1   25   55    2 o   96.730   19.570   39.322   12.651   64.049   23.718   29.489   14.957  110.716   30.142   79.079   24.659 31.63729 38.94325 
1 1 1   25   55    3 o   53.743   20.646   10.922   10.795   9.1805   22.538   11.441   12.297   59.772   26.696   55.296   21.807 4.476631 34.47066 
1 1 1   25   55    4 f   82.991   20.405   30.166   11.638   9.9854   25.832   35.305   13.036   61.189   27.836   89.062   21.413 -27.87297 35.11869 
1 1 1   25   55    5 o   37.728   17.880  -8.6660   12.493 -43.7561   25.109   2.8793   14.403   41.494   20.765   48.035   21.406 -6.541149 29.82268 
1 1 1   25   55    6 o   37.619   17.717  -6.6939   11.914   0.0000   0.0000  -6.6939   11.914  ?   ?    37.619   17.717 0.000000 17.71703 
1 1 1   25   57    0 f   85.259   19.580   31.267   11.310   37.024   22.959   29.422   12.997   80.319   30.287   79.934   22.527 0.3848495 37.74599 
1 1 1   25   57    1 o   58.165   22.566   14.038   12.992   29.263   23.538   7.3675   15.580   73.035   29.699   53.098   22.998 19.93640 37.56264 
1 1 1   25   57    2 o   44.371   20.186  -1.0135   13.585  -9.9610   22.857   3.8739   16.893   49.532   23.674   51.344   23.009 -1.812336 33.01321 
1 1 1   25   57    3 o   70.587   21.521   22.985   11.468   24.805   23.460   22.413   13.145   68.339   28.869   68.417   23.243 -0.7815552E-01 37.06304 
1 1 1   25   57    4 o   72.644   21.819   24.890   11.852   42.390   26.544   20.533   13.245   79.168   31.770   65.128   23.253 14.03934 39.37027 
1 1 1   26    0    0 o  260.580   11.496  236.499   20.641  236.499   20.641  236.499   20.641  260.580   11.496  260.580   11.496 0.000000 0.000000 
1 1 1   26    0    1 o   71.017   31.781   25.318   16.633   25.318   16.633   25.318   16.633   71.017   31.781   71.017   31.781 0.000000 0.000000 
1 1 1   26    0    2 o   32.538   22.373 -11.9070   16.474 -11.9070   16.474 -11.9070   16.474   32.538   22.373   32.538   22.373 0.000000 0.000000 
1 1 1   26    0    3 o  119.358   23.928   54.970   17.532   54.970   17.532   54.970   17.532  119.358   23.928  119.358   23.928 0.000000 0.000000 
1 1 1   26    0    4 o  145.528   18.672   76.979   17.958   76.979   17.958   76.979   17.958  145.528   18.672  145.528   18.672 0.000000 0.000000 
1 1 1   26    0    5 o  460.125   8.9014  733.893   28.323  733.893   28.323  733.893   28.323  460.125   8.9014  460.125   8.9014 0.000000 0.000000 
1 1 1   26    0    6 o  191.440   14.518  129.223   18.982  129.223   18.982  129.223   18.982  191.440   14.518  191.440   14.518 0.000000 0.000000 
1 1 1   26    0    7 o  392.792   9.6339  535.396   26.155  535.396   26.155  535.396   26.155  392.792   9.6339  392.792   9.6339 0.000000 0.000000 
1 1 1   26    0    8 o   44.851   28.166   3.6885   18.248   3.6885   18.248   3.6885   18.248   44.851   28.166   44.851   28.166 0.000000 0.000000 
1 1 1   26    0    9 f  179.608   20.298  116.683   24.402  116.683   24.402  116.683   24.402  179.608   20.298  179.608   20.298 0.000000 0.000000 
1 1 1   26    0   10 o  100.000   36.241   47.015   23.033   47.015   23.033   47.015   23.033  100.000   36.241  100.000   36.241 0.000000 0.000000 
1 1 1   26    0   11 o   91.524   31.081   38.353   17.641   38.353   17.641   38.353   17.641   91.524   31.081   91.524   31.081 0.000000 0.000000 
1 1 1   26    0   12 o   34.804   23.649  -8.5450   17.245  -8.5450   17.245  -8.5450   17.245   34.804   23.649   34.804   23.649 0.000000 0.000000 
1 1 1   26    0   13 o   59.108   31.310   18.907   17.197   18.907   17.197   18.907   17.197   59.108   31.310   59.108   31.310 0.000000 0.000000 
1 1 1   26    0   14 o   78.019   32.448   31.781   17.475   31.781   17.475   31.781   17.475   78.019   32.448   78.019   32.448 0.000000 0.000000 
1 1 1   26    0   15 o   58.724   31.024   19.962   16.852   19.962   16.852   19.962   16.852   58.724   31.024   58.724   31.024 0.000000 0.000000 
1 1 1   26    0   16 f  105.896   36.444   58.293   24.032   58.293   24.032   58.293   24.032  105.896   36.444  105.896   36.444 0.000000 0.000000 
1 1 1   26    0   17 o   28.983   20.516 -16.2400   16.969 -16.2400   16.969 -16.2400   16.969   28.983   20.516   28.983   20.516 0.000000 0.000000 
1 1 1   26    2    0 o  170.874   10.925  101.944   12.853   91.796   18.174  112.099   18.180  161.152   16.528  178.576   14.844 -17.42410 22.21534 
1 1 1   26    2    1 o  201.140   9.3821  140.521   13.061  145.650   18.305  135.201   18.642  204.025   13.031  196.406   13.801 7.619308 18.98127 
1 1 1   26    2    2 o   73.246   21.858   19.201   11.923  -6.0747   16.967   43.860   16.759   52.182   23.245  109.395   22.871 -57.21301 32.60970 
1 1 1   26    2    3 o  372.813   6.5739  481.947   16.963  451.312   24.042  512.312   23.936  360.354   9.6397  384.040   9.0052 -23.68631 13.19157 
1 1 1   26    2    4 o  142.785   13.158   71.756   12.857   88.181   18.095   55.008   18.272  157.645   16.845  122.766   22.327 34.87910 27.96882 
1 1 1   26    2    5 o   72.811   23.977   18.255   14.003  -3.0571   22.458   31.811   17.911   62.682   27.375   92.838   26.543 -30.15604 38.12971 
1 1 1   26    2    6 o  455.250   6.3359  719.045   19.964  721.375   28.608  716.834   27.872  455.376   9.0769  453.994   8.8704 1.382233 12.69148 
1 1 1   26    2    7 o   65.947   23.205   14.067   13.145   5.7976   19.398   21.089   17.874   64.630   26.696   78.678   27.095 -14.04887 38.03729 
1 1 1   26    2    8 o  138.625   15.809   68.882   14.896   53.951   24.288   77.884   18.860  117.837   29.770  146.431   19.061 -28.59338 35.34929 
1 1 1   26    2    9 o  125.056   17.228   57.042   14.516   67.073   23.862   51.149   18.289  131.368   27.142  115.833   23.614 15.53415 35.97668 
1 1 1   26    2   10 o  144.384   14.469   75.294   14.264   85.596   17.636   55.805   24.256  152.887   16.952  116.535   29.920 36.35197 34.38895 
1 1 1   26    2   11 o   82.795   23.063   27.261   13.706   53.618   17.565 -13.7707   21.916  116.914   22.524   52.647   24.546 64.26758 33.31465 
1 1 1   26    2   12 o  149.454   12.479   80.982   12.790   91.254   18.064   70.654   18.113  155.778   17.032  134.896   20.007 20.88188 26.27467 
1 1 1   26    2   13 o   73.871   22.280   22.654   12.340   43.894   17.672   2.4437   17.238  100.606   25.381   54.331   23.849 46.27472 34.82753 
1 1 1   26    2   14 o   49.625   20.879   5.2586   12.192   8.9025   16.830   1.2354   17.684   57.709   24.419   52.701   23.585 5.008476 33.94897 
1 1 1   26    2   15 o   66.897   23.820   20.366   13.891   10.773   17.123   38.829   23.754   57.722   24.538   82.890   30.896 -25.16738 39.45451 
1 1 1   26    2   16 o   60.136   22.217   16.586   12.229   39.307   17.154  -6.8958   17.438   86.195   26.330   44.802   21.201 41.39323 33.80486 
1 1 1   26    2   17 o   73.520   25.863   31.769   16.327   60.732   24.433   8.4000   21.947   91.677   31.673   53.480   24.809 38.19699 40.23236 
1 1 1   26    4    0 f  195.737   9.5971  133.093   13.001  137.078   18.473  129.181   18.302  197.814   13.575  191.954   13.869 5.859894 19.40717 
1 1 1   26    4    1 o  178.875   10.333  111.592   12.738  126.340   18.004   96.811   18.024  189.819   13.799  165.635   15.919 24.18431 21.06689 
1 1 1   26    4    2 o  520.529   6.0879  939.178   21.933  927.286   30.952  951.171   31.083  516.793   8.6536  523.421   8.5802 -6.627808 12.18620 
1 1 1   26    4    3 o  334.609   6.8079  388.300   15.766  388.354   22.564  388.249   22.038  334.249   9.7539  334.238   9.5268 0.1098633E-01 13.63446 
1 1 1   26    4    4 o  288.972   7.3917  289.782   14.784  280.145   20.853  299.520   20.962  283.705   10.620  293.399   10.323 -9.693390 14.81012 
1 1 1   26    4    5 o  282.775   7.7583  277.657   15.184  293.816   21.433  261.374   21.514  290.449   10.662  273.827   11.352 16.62131 15.57373 
1 1 1   26    4    6 o   85.557   21.910   27.091   13.030   30.422   18.806   24.016   18.071   90.969   27.521   82.664   27.239 8.305519 38.72143 
1 1 1   26    4    7 o  178.172   12.436  111.677   15.240  112.585   25.997  111.201   18.811  176.006   21.808  176.996   15.512 -0.9900360 26.76258 
1 1 1   26    4    8 o  304.560   7.7250  322.836   16.284  319.672   24.266  325.426   21.962  301.981   11.610  305.073   10.402 -3.091431 15.58829 
1 1 1   26    4    9 o   66.536   23.197   15.152   13.120   26.728   18.390   3.1517   18.725   84.286   27.464   60.426   25.672 23.86021 37.59446 
1 1 1   26    4   10 o  235.375   8.7448  194.175   14.246  207.861   20.126  180.433   20.167  242.177   12.007  224.830   13.016 17.34726 17.70861 
1 1 1   26    4   11 o  160.851   13.488   93.578   14.877   91.509   18.458   97.415   25.133  156.929   17.280  157.402   23.815 -0.4726868 29.42372 
1 1 1   26    4   12 f   57.004   22.901   8.7289   13.810  -0.3268   17.095   25.741   23.431   53.118   23.514   79.980   30.491 -26.86196 38.50473 
1 1 1   26    4   13 o   51.578   21.176   6.3582   12.111   5.5080   17.326   7.1706   16.937   56.737   24.413   57.709   24.462 -0.9721375 34.55978 
1 1 1   26    4   14 o   60.831   22.323   14.687   12.314   15.990   16.925   13.221   17.949   64.285   25.510   62.204   25.686 2.080715 36.20158 
1 1 1   26    4   15 o   89.761   20.883   35.083   12.729   44.279   17.101   23.656   19.063   96.384   25.310   69.906   27.276 26.47839 37.20989 
1 1 1   26    4   16 o   51.227   21.012   9.4190   11.910  -2.7854   16.028   24.471   17.799   45.427   21.117   67.940   26.398 -22.51355 33.80514 
1 1 1   26    4   17 o   42.824   19.031   3.0732   11.305   22.807   15.871 -17.2529   16.108   63.514   24.858   37.359   18.317 26.15518 30.87789 
1 1 1   26    6    0 o  204.995   9.4510  145.975   13.409  121.337   18.968  170.585   18.958  185.801   14.875  220.953   12.448 -35.15190 19.39634 
1 1 1   26    6    1 o  237.513   8.3805  195.813   13.776  203.524   19.578  188.251   19.389  241.797   11.699  232.190   12.107 9.607330 16.83578 
1 1 1   26    6    2 o  345.511   7.7612  414.237   18.559  409.122   32.813  416.643   22.505  342.359   13.848  346.295   9.3900 -3.936005 16.73122 
1 1 1   26    6    3 f  278.912   7.4756  269.926   14.431  260.018   20.834  279.063   20.007  273.317   11.014  283.266   10.205 -9.948853 15.01481 
1 1 1   26    6    4 o   43.969   19.480  -3.6984   11.756 -36.8361   17.005   26.640   16.271   37.106   18.314   85.633   25.530 -48.52712 31.41932 
1 1 1   26    6    5 o  532.041   7.0838  982.413   26.085  966.341   45.261  990.406   31.919  526.092   12.430  533.825   8.6392 -7.732727 15.13774 
1 1 1   26    6    6 o   58.195   23.266   6.5315   14.178   21.449   24.662  -0.8324   17.328   84.488   31.483   56.349   24.330 28.13920 39.78830 
1 1 1   26    6    7 o  285.166   7.8692  282.780   15.531  256.079   22.404  307.485   21.550  270.511   11.966  296.804   10.491 -26.29306 15.91355 
1 1 1   26    6    8 o  269.580   8.1859  253.163   15.273  262.428   22.271  244.938   20.985  273.508   11.765  264.324   11.471 9.183136 16.43170 
1 1 1   26    6    9 o   89.829   21.226   30.648   12.987   24.711   18.573   36.328   18.167   81.799   27.629   96.468   26.428 -14.66930 38.23363 
1 1 1   26    6   10 o  154.071   12.450   84.828   13.163   73.649   18.517   96.245   18.714  140.259   19.612  162.089   16.931 -21.82977 25.90915 
1 1 1   26    6   11 o  138.524   13.388   69.548   12.676   68.891   17.758   70.231   18.101  134.511   19.654  135.708   19.859 -1.196365 27.94039 
1 1 1   26    6   12 o   66.342   23.956   16.493   14.099   19.259   17.126   10.673   24.840   71.063   26.284   68.633   29.373 2.430283 39.41587 
1 1 1   26    6   13 o   46.743   20.917  -1.6236   13.909   2.7742   17.056 -10.3561   24.034   54.244   23.768   54.475   25.499 -0.2307358 34.85869 
1 1 1   26    6   14 o   85.678   23.208   32.314   14.102   26.060   17.135   45.444   24.826   75.268   26.493   92.462   31.927 -17.19321 41.48791 
1 1 1   26    6   15 o   28.083   14.095 -30.1541   11.982 -20.0574   16.444 -41.5832   17.495   38.788   18.907   33.634   16.901 5.153938 25.35950 
1 1 1   26    6   16 o   60.872   22.012   17.209   11.910   8.7837   16.391   26.636   17.337   53.459   23.365   70.257   26.354 -16.79854 35.22025 
1 1 1   26    6   17 o  120.313   16.562   61.698   13.426   70.098   21.981   56.699   16.956  107.718   28.888  105.014   23.871 2.704559 37.47476 
1 1 1   26    8    0 o  222.317   9.0827  171.656   13.975  185.443   19.882  158.192   19.648  230.368   12.517  212.555   13.425 17.81264 18.35490 
1 1 1   26    8    1 o  221.352   8.9154  170.157   13.658  164.704   19.676  175.229   18.975  216.934   13.167  223.940   12.290 -7.005539 18.01129 
1 1 1   26    8    2 o   99.256   21.004   36.049   13.979   19.612   17.727   63.073   22.730   77.603   26.969  130.835   26.018 -53.23145 37.47312 
1 1 1   26    8    3 o  154.460   11.901   83.622   12.625   74.712   19.252   90.344   16.722  144.278   19.802  159.949   15.292 -15.67105 25.01951 
1 1 1   26    8    4 o  260.899   9.0086  236.580   16.267  244.488   28.223  232.646   19.906  263.659   15.535  258.427   11.129 5.232056 19.11026 
1 1 1   26    8    5 o  297.070   8.5796  306.734   17.640  300.927   30.277  309.719   21.705  292.567   15.003  298.186   10.517 -5.618500 18.32185 
1 1 1   26    8    6 o  111.540   21.513   45.785   16.006   50.032   19.727   37.600   27.383  115.664   25.343  101.580   33.533 14.08372 42.03288 
1 1 1   26    8    7 o  195.759   10.580  134.202   14.281  169.490   21.337  105.566   19.221  219.096   14.146  172.075   16.335 47.02069 21.60920 
1 1 1   26    8    8 o   49.710   21.224   0.7022   12.913  -8.1025   18.807   8.5542   17.761   52.994   23.966   64.392   25.935 -11.39774 35.31295 
1 1 1   26    8    9 o  242.452   8.7851  205.556   14.742  187.773   21.247  222.064   20.471  229.780   13.418  250.959   11.786 -21.17908 17.85926 
1 1 1   26    8   10 o  210.465   9.4850  155.724   13.816  144.894   19.450  166.754   19.629  200.689   14.093  215.849   13.203 -15.16020 19.31114 
1 1 1   26    8   11 f  162.452   11.551   94.471   12.903   91.760   18.354   97.120   18.143  157.011   17.169  162.057   16.401 -5.045990 23.74432 
1 1 1   26    8   12 o   40.126   18.477  -6.5108   11.848 -10.8593   16.753  -2.1590   16.759   45.804   21.391   51.209   22.935 -5.404804 31.36226 
1 1 1   26    8   13 o   89.573   26.313   35.779   17.389   35.779   17.389   0.0000   0.0000   89.573   26.313  ?   ?  0.000000 26.31332 
1 1 1   26    8   14 o   50.335   21.669   4.3634   13.664  -2.2151   16.755   17.424   23.609   49.123   22.374   67.963   28.849 -18.84050 36.50839 
1 1 1   26    8   15 o   53.943   21.613   10.468   12.264   23.935   16.815  -4.8382   17.926   70.182   26.027   47.619   22.201 22.56371 34.20941 
1 1 1   26    8   16 o   41.395   18.843  -0.9549   11.861 -11.5638   16.589   10.141   16.965   41.416   19.894   54.675   23.837 -13.25866 31.04814 
1 1 1   26    8   17 o   38.504   17.781  -1.7693   11.088 -11.3825   15.227   9.0805   16.177   38.473   18.622   50.934   22.693 -12.46108 29.35535 
1 1 1   26   10    0 o  297.772   7.7471  307.679   15.966  298.626   22.957  316.159   22.220  292.907   11.324  301.484   10.649 -8.576721 15.54476 
1 1 1   26   10    1 o   52.978   22.502   0.6683   14.379 -30.2829   28.141   11.604   16.728   57.249   27.043   67.470   25.753 -10.22027 37.34370 
1 1 1   26   10    2 o  219.069   10.145  166.900   15.383  117.415   27.345  189.809   18.606  180.775   22.330  233.455   11.515 -52.67969 25.12446 
1 1 1   26   10    3 f   66.112   23.374   13.728   13.352   13.454   23.404   13.860   16.257   76.675   30.134   69.346   25.616 7.329597 39.55056 
1 1 1   26   10    4 o  128.313   16.179   58.673   14.049   67.463   25.067   54.647   16.963  134.509   27.843  122.643   20.723 11.86581 34.70848 
1 1 1   26   10    5 o  106.166   18.570   40.922   13.148   9.4089   18.986   69.961   18.226   67.662   26.965  139.327   19.429 -71.66557 33.23585 
1 1 1   26   10    6 o   42.000   19.377  -9.7980   13.120 -14.0492   19.591  -6.3408   17.667   51.286   23.667   52.790   23.603 -1.503628 33.42458 
1 1 1   26   10    7 o   83.057   22.812   25.738   13.515 -10.7943   20.387   54.379   18.052   54.166   24.675  121.091   22.363 -66.92509 33.30077 
1 1 1   26   10    8 o  114.034   17.361   47.421   13.270   50.750   19.461   44.528   18.141  115.248   25.108  107.925   24.806 7.323082 35.29546 
1 1 1   26   10    9 o  140.982   13.782   71.257   13.276   40.561   19.387   98.361   18.218  101.245   27.122  164.843   16.176 -63.59866 31.57934 
1 1 1   26   10   10 o   58.777   22.205   10.532   12.354  -6.8773   17.776   26.797   17.183   50.940   23.141   82.506   26.518 -31.56593 35.19585 
1 1 1   26   10   11 o   45.285   20.021  -1.6427   12.354  -0.6172   17.394  -2.6866   17.549   53.904   23.797   52.665   23.537 1.238667 33.47064 
1 1 1   26   10   12 o  106.544   20.518   45.038   14.581   45.643   17.924   43.854   25.074  104.041   25.166   96.935   32.092 7.106537 40.78305 
1 1 1   26   10   13 o   75.627   21.987   23.988   12.197   27.634   17.514   20.554   16.997   78.831   26.829   70.515   26.164 8.315666 37.47450 
1 1 1   26   10   14 o   33.771   16.442 -17.4814   12.330 -24.6210   17.003  -9.5633   17.906   38.514   18.870   46.248   21.763 -7.733437 28.80416 
1 1 1   26   10   15 o   86.863   22.812   34.670   13.890   25.732   17.274   51.024   23.365   71.787   26.425   94.434   30.966 -22.64716 40.70831 
1 1 1   26   10   16 o   59.092   23.272   16.196   13.987 -18.4781   25.082   31.847   16.851   47.015   23.010   76.114   26.302 -29.09832 34.94679 
1 1 1   26   10   17 o   47.640   20.151   8.4151   11.454   4.1670   16.207   12.655   16.191   47.397   21.745   53.348   23.272 -5.951279 31.85029 
1 1 1   26   12    0 o   88.208   24.037   28.568   15.075   7.4976   26.516   38.631   18.325   75.537   31.208  102.107   25.893 -26.57025 40.55080 
1 1 1   26   12    1 o   38.727   18.858 -28.5785   16.243 -11.0878   24.111 -43.1122   21.979   60.369   27.233   43.456   21.324 16.91299 34.58854 
1 1 1   26   12    2 o  232.503   9.7281  187.961   15.654  197.658   27.301  183.211   19.107  236.755   16.770  228.937   12.102 7.817184 20.68043 
1 1 1   26   12    3 o  295.321   7.6211  302.747   15.577  293.813   23.102  310.196   21.093  290.359   11.496  298.565   10.208 -8.206543 15.37373 
1 1 1   26   12    4 o  517.162   6.2122  927.621   22.236  900.494   31.410  954.872   31.482  508.943   8.9171  524.148   8.6781 -15.20499 12.44285 
1 1 1   26   12    5 o  351.423   7.1033  428.769   17.277  401.588   25.335  452.397   23.621  339.382   10.786  360.522   9.4666 -21.13947 14.35110 
1 1 1   26   12    6 o  209.293   11.563  153.553   16.684  143.171   31.263  157.687   19.728  198.259   23.224  211.603   13.542 -13.34360 26.88347 
1 1 1   26   12    7 f   78.301   27.784   20.537   18.882   29.863   27.644   12.380   25.853   93.077   33.554   76.881   31.176 16.19555 45.80223 
1 1 1   26   12    8 f  225.719   9.5060  178.165   14.851  141.561   22.442  206.679   19.807  198.523   16.483  242.428   11.805 -43.90483 20.27405 
1 1 1   26   12    9 o  106.492   17.962   42.105   12.767   30.532   18.656   52.300   17.510   88.331   27.539  116.981   22.444 -28.65055 35.52598 
1 1 1   26   12   10 o   88.576   20.774   30.424   12.515   31.809   18.047   29.140   17.369   88.695   26.988   85.303   26.568 3.391251 37.87131 
1 1 1   26   12   11 o   69.055   24.394   17.943   14.540   21.848   17.704   9.8488   25.487   75.075   26.875   69.617   29.773 5.457146 40.10854 
1 1 1   26   12   12 o   37.038   17.503 -10.9102   11.813 -25.7392   16.962   3.0553   16.461   39.147   19.108   54.425   23.606 -15.27810 30.37025 
1 1 1   26   12   13 o   89.331   20.295   32.717   12.262   34.428   17.398   31.027   17.287   87.198   26.490   82.851   26.595 4.346039 37.53713 
1 1 1   26   12   14 f   53.739   21.339   9.7141   11.849   16.214   16.606   2.9714   16.914   63.626   25.262   52.487   23.304 11.13839 34.36954 
1 1 1   26   12   15 o   41.343   19.371  -6.5918   13.929   20.507   25.425 -18.2141   16.650   66.754   29.141   39.526   19.212 27.22799 34.90394 
1 1 1   26   12   16 o   44.866   20.383   0.9065   13.793   3.7678   16.434  -5.9122   25.370   49.312   22.343   51.110   24.564 -1.797321 33.20510 
1 1 1   26   12   17 o   51.323   20.906   11.965   11.688   31.740   16.672  -7.1516   16.392   71.238   26.000   41.255   19.805 29.98273 32.68416 
1 1 1   26   14    0 o  482.061   7.4048  806.382   24.705  730.732   42.069  846.205   30.523  457.505   13.286  493.513   8.9361 -36.00763 16.01157 
1 1 1   26   14    1 o  227.012   10.186  179.281   16.004  150.244   27.100  194.831   19.831  205.579   19.271  236.079   12.179 -30.49969 22.79705 
1 1 1   26   14    2 o  371.280   6.5448  478.115   16.818  450.365   23.872  505.459   23.697  359.879   9.5844  381.369   8.9778 -21.49020 13.13245 
1 1 1   26   14    3 o  141.013   13.333   70.098   12.858   75.665   18.784   65.189   17.639  145.204   19.159  134.516   19.515 10.68826 27.34824 
1 1 1   26   14    4 o  149.826   12.883   79.030   13.230   69.294   19.575   87.217   17.950  138.176   21.141  156.551   16.831 -18.37421 27.02239 
1 1 1   26   14    5 o   78.469   24.752   22.082   15.024   11.932   28.699   25.914   17.634   80.259   32.734   84.717   26.826 -4.457428 42.32161 
1 1 1   26   14    6 o  124.261   18.934   56.097   15.769   64.439   29.664   52.811   18.617  128.560   33.131  119.102   23.419 9.457832 40.57271 
1 1 1   26   14    7 o   38.600   18.568 -20.6601   14.575   19.732   27.485 -36.4630   17.192   83.862   32.743   37.237   18.385 46.62410 37.55169 
1 1 1   26   14    8 o   66.939   24.468   14.364   14.773   54.439   28.023  -1.0595   17.385  115.684   33.239   55.260   24.111 60.42388 41.06276 
1 1 1   26   14    9 o  145.795   14.859   76.869   14.784   76.634   28.406   76.956   17.314  136.686   30.768  144.627   17.664 -7.940613 35.47821 
1 1 1   26   14   10 o  233.278   12.500  194.758   20.108  179.658   28.508  209.707   28.365  219.384   18.962  238.553   17.298 -19.16855 25.66622 
1 1 1   26   14   11 o   68.950   22.641   18.524   12.489  -9.5244   18.148   43.756   17.213   48.995   22.669  103.257   24.462 -54.26261 33.35043 
1 1 1   26   14   12 f  132.529   14.088   65.091   12.724   74.116   18.703   57.314   17.360  136.913   20.357  119.012   21.882 17.90127 29.88750 
1 1 1   26   14   13 o   48.574   20.560   4.2015   11.938   27.444   16.936 -18.7517   16.830   78.092   26.383   41.065   19.802 37.02759 32.98748 
1 1 1   26   14   14 o   33.691   16.599 -23.4021   13.756 -33.6537   23.615 -18.1371   16.923   43.752   21.592   40.691   19.680 3.060661 29.21451 
1 1 1   26   14   15 o   44.848   19.626   2.7744   11.595   15.705   16.771  -9.0665   16.049   60.762   24.930   42.696   20.244 18.06558 32.11396 
1 1 1   26   14   16 o   38.787   17.969  -3.2223   11.458  -2.2425   16.269  -4.1866   16.139   45.241   21.112   44.035   20.702 1.205078 29.56840 
1 1 1   26   14   17 o   37.898   18.036  -5.8272   12.975  -7.1360   15.348  -2.5498   24.288   39.937   19.171   48.263   23.400 -8.325775 30.25016 
1 1 1   26   16    0 o  148.436   14.005   77.701   14.218   94.515   20.478   62.052   19.755  162.804   18.503  130.397   22.715 32.40715 29.29733 
1 1 1   26   16    1 o   97.710   19.814   34.896   12.941   32.801   18.502   36.902   18.108   94.290   26.984   99.639   25.988 -5.348434 37.46301 
1 1 1   26   16    2 o  427.514   6.4285  633.946   19.021  566.330   26.180  709.550   27.683  403.548   9.3734  451.821   8.8526 -48.27341 12.89299 
1 1 1   26   16    3 o  410.273   6.6134  584.016   18.779  550.834   26.599  616.993   26.517  397.860   9.6596  421.208   9.0959 -23.34772 13.26814 
1 1 1   26   16    4 o  204.698   10.173  145.981   14.413  143.612   21.313  147.977   19.566  201.602   15.391  205.053   13.868 -3.451233 20.71704 
1 1 1   26   16    5 o  259.825   9.7214  235.244   17.482  220.000   32.302  241.557   20.789  248.215   18.946  262.943   11.424 -14.72778 22.12366 
1 1 1   26   16    6 o  240.140   10.035  201.301   16.679  205.415   29.384  199.345   20.260  239.752   17.836  238.141   12.334 1.611084 21.68512 
1 1 1   26   16    7 o  149.186   14.974   79.602   15.253  101.951   28.184   70.345   18.139  164.419   25.600  138.609   19.443 25.80975 32.14645 
1 1 1   26   16    8 o  140.936   15.601   71.790   14.963   62.683   26.884   75.876   18.010  124.292   31.277  143.728   18.537 -19.43629 36.35742 
1 1 1   26   16    9 o  151.497   24.489   89.122   24.801   0.0000   0.0000   89.122   24.801  ?   ?   151.497   24.489 0.000000 24.48888 
1 1 1   26   16   10 o  167.398   12.869  100.924   14.796  134.293   26.903   86.456   17.715  187.437   21.105  152.618   17.063 34.81917 27.14040 
1 1 1   26   16   11 o  119.237   17.941   54.222   14.347   27.268   25.339   66.941   17.406   82.055   31.604  131.496   19.735 -49.44100 37.25978 
1 1 1   26   16   12 o   73.033   24.285   22.221   14.352   31.132   25.975   18.305   17.219   83.025   31.993   68.873   26.167 14.15224 41.33115 
1 1 1   26   16   13 o   69.002   23.526   20.293   13.468   54.439   23.767   4.1439   16.345  104.375   30.792   53.622   23.387 50.75303 38.66687 
1 1 1   26   16   14 o   38.350   17.915  -6.7737   11.763 -12.1200   16.371  -1.0678   16.913   42.458   20.222   49.294   22.463 -6.836281 30.22397 
1 1 1   26   16   15 o   61.048   22.038   16.811   11.931  -5.4697   17.305   36.999   16.472   45.829   21.511   85.213   25.751 -39.38347 33.55366 
1 1 1   26   16   16 o   81.634   21.046   31.575   11.967   30.206   17.310   32.828   16.561   72.121   26.467   76.060   26.087 -3.938835 37.16262 
1 1 1   26   16   17 o   47.430   19.899   9.3015   11.024   10.400   14.877   7.9640   16.418   49.887   22.017   48.754   22.184 1.132854 31.25459 
1 1 1   26   18    0 o  330.627   7.3285  379.439   16.770  359.407   23.698  399.534   23.734  321.237   10.659  338.802   10.122 -17.56485 14.69887 
1 1 1   26   18    1 o  101.976   19.363   37.911   13.166   22.500   18.694   53.081   18.546   81.411   27.718  120.135   23.145 -38.72426 36.11037 
1 1 1   26   18    2 o   43.365   19.765  -7.9244   13.103  -9.0069   18.778  -6.8972   18.292   53.073   23.980   53.631   23.995 -0.5573235 33.92305 
1 1 1   26   18    3 o  278.767   8.0880  270.054   15.605  266.714   22.162  273.339   21.976  276.431   11.584  279.892   11.344 -3.461334 16.21356 
1 1 1   26   18    4 o  143.585   16.167   73.522   15.787   59.268   29.505   79.240   18.687  123.861   33.576  148.450   18.596 -24.58872 38.38143 
1 1 1   26   18    5 o  240.403   10.265  201.692   17.079  160.585   30.657  220.191   20.566  210.646   21.322  250.837   11.846 -40.19063 24.39199 
1 1 1   26   18    6 o  240.710   9.9233  202.399   16.532  179.902   30.166  212.057   19.765  223.111   19.739  245.963   11.610 -22.85197 22.90019 
1 1 1   26   18    7 o   56.297   23.040   5.3419   14.279  -9.7268   25.321   12.369   17.291   61.080   27.699   67.308   26.056 -6.227665 38.02803 
1 1 1   26   18    8 o   87.939   24.385   30.083   15.359   29.026   19.369   31.873   25.209   86.632   28.184   91.195   32.131 -4.563644 42.73982 
1 1 1   26   18    9 o   33.510   16.344 -20.9306   12.343   2.0165   18.505 -39.3208   16.566   58.116   25.118   34.728   17.299 23.38831 30.49817 
1 1 1   26   18   10 o   78.519   22.086   24.469   12.506   25.592   18.949   23.602   16.647   80.072   27.880   77.221   26.157 2.851280 38.22876 
1 1 1   26   18   11 o   51.478   21.894   3.5845   13.644  -9.4000   23.529   10.163   16.748   55.561   25.744   61.254   24.997 -5.693615 35.88263 
1 1 1   26   18   12 o   55.267   25.462  -5.4488   22.541   0.0000   0.0000  -5.4488   22.541  ?   ?    55.267   25.462 0.000000 25.46195 
1 1 1   26   18   13 o   34.925   17.007 -18.7704   13.215 -48.4683   23.354  -4.7832   16.027   40.224   20.114   46.759   21.516 -6.535130 29.45357 
1 1 1   26   18   14 o   74.104   21.904   24.571   12.016   38.872   16.612   8.8729   17.404   89.991   25.504   56.479   24.384 33.51180 35.28538 
1 1 1   26   18   15 f   74.613   21.830   26.052   11.989   31.746   17.172   20.637   16.747   76.988   26.555   64.702   25.471 12.28623 36.79558 
1 1 1   26   18   16 o   99.069   17.730   42.631   11.710   58.041   16.989   28.683   16.163  108.054   23.395   70.718   25.632 37.33656 34.70381 
1 1 1   26   20    0 o  300.630   7.7730  313.918   16.173  295.207   22.574  333.654   23.184  290.953   11.210  309.399   10.826 -18.44614 15.58442 
1 1 1   26   20    1 o   80.605   23.145   23.811   13.591   6.0990   19.042   42.205   19.405   64.719   26.560  106.113   26.502 -41.39399 37.52025 
1 1 1   26   20    2 o   87.108   22.386   28.125   13.569   35.389   19.356   21.106   19.027   97.332   27.512   79.798   27.928 17.53363 39.20300 
1 1 1   26   20    3 o  127.554   15.904   58.135   13.736   62.573   19.672   53.913   19.187  130.475   22.604  120.532   23.844 9.943413 32.85529 
1 1 1   26   20    4 o  251.997   9.7629  221.378   17.028  180.049   30.658  239.814   20.476  223.849   19.999  261.956   11.294 -38.10725 22.96740 
1 1 1   26   20    5 o  126.032   17.883   57.549   15.162   52.634   28.097   59.568   18.009  115.950   33.273  127.172   21.207 -11.22202 39.45716 
1 1 1   26   20    6 f  228.164   10.495  182.282   16.573  176.488   30.539  184.701   19.731  220.224   20.263  228.789   12.508 -8.564697 23.81281 
1 1 1   26   20    7 o  263.449   9.6782  243.154   17.647  247.618   22.036  235.171   29.466  264.981   12.015  255.503   16.756 9.477753 20.61854 
1 1 1   26   20    8 o  151.530   12.506   81.998   12.999   90.949   19.040   74.183   17.790  157.247   17.809  141.456   18.624 15.79086 25.76851 
1 1 1   26   20    9 o  171.886   11.155  105.185   13.199  107.614   19.370  103.081   18.034  171.052   16.569  167.884   15.703 3.168137 22.82816 
1 1 1   26   20   10 o  249.013   9.5444  219.330   16.449  231.512   30.546  214.355   19.522  248.692   17.865  244.967   11.514 3.724808 21.25437 
1 1 1   26   20   11 o  149.557   14.456   82.790   14.777  116.488   26.395   67.408   17.833  169.800   23.056  130.799   20.361 39.00049 30.75972 
1 1 1   26   20   12 o   44.110   19.698  -1.4633   12.267  -5.8570   18.281   2.1357   16.545   49.782   22.933   52.877   23.283 -3.095226 32.68095 
1 1 1   26   20   13 o   54.176   22.319   8.6051   13.512   4.7073   24.771   10.256   16.121   60.534   27.428   57.939   24.168 2.594666 36.55675 
1 1 1   26   20   14 o   47.377   20.910   2.6109   13.419   22.976   23.119  -7.7360   16.479   68.965   28.869   44.374   20.880 24.59087 35.62845 
1 1 1   26   20   15 o   69.092   22.016   22.749   11.863   13.414   16.998   31.614   16.564   57.500   24.445   76.746   26.092 -19.24639 35.75388 
1 1 1   26   20   16 o   35.678   17.214 -10.7827   12.763 -21.4415   15.876   8.6976   21.462   35.594   17.591   53.332   24.667 -17.73801 30.29700 
1 1 1   26   22    0 o  276.405   8.3868  265.642   16.044  235.596   22.069  299.327   23.367  259.604   12.283  292.793   11.531 -33.18857 16.84710 
1 1 1   26   22    1 o   85.412   22.824   27.059   13.750   20.457   19.423   33.692   19.469   79.261   28.173   95.080   27.817 -15.81919 39.59191 
1 1 1   26   22    2 o  214.182   9.9979  159.892   14.821  150.178   21.164  169.240   20.761  206.156   14.934  219.244   13.751 -13.08786 20.30086 
1 1 1   26   22    3 o  192.187   10.681  129.341   14.151  142.630   19.779  115.404   20.256  200.937   14.316  180.032   16.438 20.90448 21.79765 
1 1 1   26   22    4 o  250.558   8.8664  218.733   15.376  200.001   21.961  236.744   21.534  238.205   13.375  259.946   11.969 -21.74173 17.94850 
1 1 1   26   22    5 o   54.322   22.913   2.3043   14.742 -11.0683   25.318   9.1639   18.133   60.799   27.619   65.469   26.263 -4.670258 38.11264 
1 1 1   26   22    6 o  204.088   14.367  148.411   20.165  123.415   28.818  172.390   28.226  181.696   23.464  217.816   18.911 -36.11928 30.13597 
1 1 1   26   22    7 o   53.430   21.695   5.4536   12.537   13.433   17.960  -2.1307   17.509   68.410   26.535   54.294   23.928 14.11558 35.73007 
1 1 1   26   22    8 o   69.008   22.154   17.881   11.995   6.3357   17.562   27.978   16.423   60.572   25.242   84.145   25.773 -23.57279 36.07495 
1 1 1   26   22    9 o   75.395   21.803   22.318   12.023   29.011   17.248   15.994   16.767   84.476   26.503   68.545   25.875 15.93048 37.03886 
1 1 1   26   22   10 o  141.866   15.921   74.970   15.363   76.410   19.052   72.293   25.977  140.352   20.194  128.647   29.766 11.70558 35.96929 
1 1 1   26   22   11 o  174.023   15.887  113.814   18.924  136.293   28.940   97.024   25.012  182.573   23.445  152.775   24.481 29.79807 33.89665 
1 1 1   26   22   12 o   82.303   20.892   28.256   11.921   22.036   17.050   34.205   16.675   71.627   26.270   87.072   25.819 -15.44550 36.83380 
1 1 1   26   22   13 o   51.705   21.012   8.1096   11.772   2.3104   16.808   13.694   16.494   51.802   23.101   60.952   24.832 -9.150581 33.91593 
1 1 1   26   22   14 o   43.576   19.398   0.8645   11.794   10.321   16.442  -9.1587   16.927   56.149   23.960   43.922   20.815 12.22644 31.73897 
1 1 1   26   22   15 o   47.442   20.870   4.8002   13.265   15.668   22.052  -1.3630   16.606   59.985   26.622   46.412   21.548 13.57268 34.24995 
1 1 1   26   22   16 o   41.332   19.197  -1.1975   13.203   10.932   22.595  -7.4869   16.270   54.007   25.094   41.193   19.764 12.81405 31.94285 
1 1 1   26   24    0 o  367.425   7.2256  469.024   18.375  419.092   24.981  527.878   27.122  346.584   10.414  389.076   10.072 -42.49234 14.48791 
1 1 1   26   24    1 o   90.523   22.512   30.582   14.045   38.854   20.223   22.875   19.521  101.282   27.941   81.787   28.307 19.49497 39.77402 
1 1 1   26   24    2 o  130.672   15.741   61.089   13.950   29.756   19.784   92.069   19.673   89.871   28.410  160.067   18.074 -70.19647 33.67199 
1 1 1   26   24    3 o   74.441   23.326   20.078   13.366   10.524   19.403   28.707   18.439   68.543   27.278   87.955   27.371 -19.41196 38.64247 
1 1 1   26   24    4 o   48.371   21.088  -1.5384   13.277 -31.8664   19.394   25.210   18.214   42.554   20.696   83.172   27.344 -40.61858 34.29247 
1 1 1   26   24    5 o  107.260   25.702   44.386   18.831   80.098   26.543   8.2000   26.719  144.018   27.635   73.773   30.967 70.24575 41.50460 
1 1 1   26   24    6 o   70.715   23.173   18.244   13.086   24.738   19.826   13.232   17.418   82.160   28.523   67.909   26.190 14.25161 38.72266 
1 1 1   26   24    7 o  133.756   13.921   64.502   12.698   63.676   18.776   65.197   17.238  129.342   21.746  132.075   19.439 -2.732056 29.16792 
1 1 1   26   24    8 o  109.269   16.670   44.382   12.207   46.857   17.178   41.856   17.351  108.957   23.473  102.186   24.787 6.770912 34.13751 
1 1 1   26   24    9 o   62.285   22.114   13.923   11.963   9.9509   17.348   17.525   16.519   62.504   25.466   69.694   25.806 -7.189285 36.25593 
1 1 1   26   24   10 o   42.664   20.292 -15.7138   16.373   0.0000   0.0000 -15.7138   16.373  ?   ?    42.664   20.292 0.000000 20.29234 
1 1 1   26   24   11 o  145.342   14.751   79.060   14.633   87.317   26.459   75.423   17.563  140.017   28.277  138.842   18.757 1.174072 33.93290 
1 1 1   26   24   12 o   39.753   18.321  -5.3464   11.683  -1.9521   16.419  -8.8266   16.626   49.207   22.310   45.348   21.221 3.858555 30.79095 
1 1 1   26   24   13 o   59.158   21.946   14.291   11.957   6.7602   16.498   22.626   17.355   54.421   23.618   69.700   26.321 -15.27870 35.36408 
1 1 1   26   24   14 o   45.145   19.766   2.9857   11.775   27.899   16.309 -24.1409   17.017   73.762   25.854   37.601   18.513 36.16106 31.79845 
1 1 1   26   24   15 o   52.308   21.549   10.899   12.594   18.751   15.489  -4.4195   21.634   61.018   24.344   48.699   23.208 12.31907 33.63390 
1 1 1   26   24   16 o   32.990   15.995 -10.8649   11.351 -17.1837   16.574  -5.2824   15.578   37.212   18.311   41.058   19.602 -3.845375 26.82405 
1 1 1   26   26    0 o  308.184   9.3167  331.151   19.872  314.155   24.295  365.512   34.545  299.520   11.720  321.653   15.517 -22.13281 19.44577 
1 1 1   26   26    1 o  250.347   9.1246  218.490   15.810  208.068   22.083  229.448   22.645  242.996   13.180  255.318   12.856 -12.32216 18.41168 
1 1 1   26   26    2 o  101.394   20.764   38.234   14.081   39.263   20.161   37.254   19.675  101.184   27.891   98.700   27.681 2.484390 39.29559 
1 1 1   26   26    3 o  142.051   14.484   72.018   14.040   75.842   19.804   68.154   19.909  143.729   20.488  135.545   21.974 8.184235 30.04366 
1 1 1   26   26    4 o   42.760   20.195 -16.2445   15.679  -6.0282   19.147 -37.0341   27.314   54.646   24.492   52.260   25.206 2.386005 35.14570 
1 1 1   26   26    5 o  149.053   14.837   79.841   15.102  101.268   26.719   69.781   18.307  163.368   24.377  137.262   19.847 26.10570 31.43439 
1 1 1   26   26    6 o   40.156   18.632  -9.3175   12.388   2.9778   18.766 -18.8123   16.491   59.771   25.555   42.542   20.271 17.22940 32.61799 
1 1 1   26   26    7 o   28.846   14.411 -30.5242   11.861 -18.8076   16.988 -41.6697   16.568   43.135   20.559   34.076   17.025 9.058987 26.69311 
1 1 1   26   26    8 o  104.527   17.786   41.263   12.406   47.485   18.076   35.722   17.058  108.539   24.627   93.497   25.607 15.04182 35.52768 
1 1 1   26   26    9 o   74.337   24.099   22.153   14.167   9.8634   26.098   27.287   16.869   69.619   29.959   81.208   26.294 -11.58904 39.86118 
1 1 1   26   26   10 o  122.593   15.335   56.368   12.727   66.975   17.704   45.026   18.308  130.254   20.300  102.385   25.835 27.86869 32.85679 
1 1 1   26   26   11 o   37.287   18.013 -17.6506   14.086 -19.5974   17.188 -13.6683   24.582   41.418   19.982   53.224   25.182 -11.80556 32.14663 
1 1 1   26   26   12 o   28.672   14.316 -27.1924   11.629 -30.0996   16.261 -24.1499   16.636   35.594   17.629   38.210   18.709 -2.616627 25.70621 
1 1 1   26   26   13 o  116.615   15.654   53.605   12.316   55.767   16.956   51.189   17.918  111.975   22.657  104.252   25.128 7.722954 33.83374 
1 1 1   26   26   14 o   79.156   23.110   30.237   13.450   31.077   16.569   28.615   23.031   76.662   26.095   70.563   29.113 6.098686 39.09629 
1 1 1   26   26   15 o   41.369   18.502   1.6161   10.865   14.864   14.493 -15.3791   16.415   56.304   23.147   38.745   18.887 17.55891 29.87456 
1 1 1   26   28    0 f   80.376   25.544   23.769   15.977   27.809   19.500   15.517   27.868   86.739   28.282   80.707   32.494 6.031517 43.07828 
1 1 1   26   28    1 o  189.712   11.608  126.752   15.168  107.967   21.392  145.745   21.511  172.833   18.155  202.154   15.492 -29.32115 23.86629 
1 1 1   26   28    2 o   46.013   20.755  -6.0369   13.998  -5.7763   19.743  -6.3004   19.850   55.803   24.950   55.627   24.934 0.1764908 35.27350 
1 1 1   26   28    3 o   53.631   23.331  -0.8524   16.177   5.1881   19.832 -12.8634   27.965   63.655   26.698   62.791   28.718 0.8646698 39.21067 
1 1 1   26   28    4 o  130.756   15.657   61.880   13.888   74.189   19.479   49.155   19.806  141.278   20.522  112.247   26.004 29.03097 33.12624 
1 1 1   26   28    5 o  128.954   17.335   61.093   15.080   90.683   26.116   46.292   18.470  152.953   25.573  108.688   25.066 44.26482 35.80870 
1 1 1   26   28    6 o   42.425   19.422  -7.0886   12.835  -8.4069   19.394  -6.0613   17.120   52.555   23.989   50.564   22.867 1.990479 33.14177 
1 1 1   26   28    7 o  117.336   15.539   50.700   12.308   34.031   18.076   65.110   16.807   91.240   26.835  131.370   19.040 -40.13052 32.90345 
1 1 1   26   28    8 o   50.240   21.672   1.5312   13.724   35.644   27.997  -9.2590   15.746   91.048   33.620   45.600   21.104 45.44759 39.69500 
1 1 1   26   28    9 o  126.971   14.656   59.745   12.643   73.027   18.300   47.615   17.487  136.990   19.882  107.351   24.124 29.63863 31.26097 
1 1 1   26   28   10 o   38.587   18.001  -8.1647   11.814  -3.1545   16.932 -12.9176   16.491   50.105   22.692   43.795   20.692 6.309982 30.70963 
1 1 1   26   28   11 o   64.405   21.927   17.015   11.699   25.778   16.488   8.1289   16.602   75.929   26.030   57.284   24.247 18.64541 35.57361 
1 1 1   26   28   12 f   56.595   21.467   12.228   11.577   16.801   16.051   7.2698   16.715   63.850   24.996   55.421   23.912 8.429581 34.59212 
1 1 1   26   28   13 o   81.964   22.172   30.665   12.882   31.560   15.140   28.317   24.519   80.516   24.760   72.287   29.949 8.229591 38.85899 
1 1 1   26   28   14 o   77.266   20.889   27.636   11.438   18.016   15.987   37.723   16.372   61.239   24.627   84.586   25.698 -23.34696 35.59285 
1 1 1   26   28   15 o   56.444   21.349   15.559   11.429   18.995   15.861   11.848   16.484   59.393   24.292   53.282   23.356 6.110661 33.69871 
1 1 1   26   30    0 o   57.445   23.309   6.2402   14.461   12.666   20.426  -0.2176   20.477   70.769   28.043   60.397   26.262 10.37102 38.42045 
1 1 1   26   30    1 o  243.410   9.7750  207.448   16.468  205.686   22.536  209.466   24.123  240.719   13.582  242.535   14.436 -1.815994 19.82085 
1 1 1   26   30    2 o   45.357   21.056 -11.8961   15.853 -24.9089   19.653   12.341   26.822   45.385   21.761   76.301   31.442 -30.91663 38.23798 
1 1 1   26   30    3 o  193.216   11.126  131.839   14.815  136.189   20.986  127.518   20.917  194.475   15.726  187.901   16.244 6.573517 22.60939 
1 1 1   26   30    4 o   59.101   22.879   9.5476   13.331   6.1938   18.851   12.903   18.855   62.505   26.108   68.556   27.014 -6.050926 37.56837 
1 1 1   26   30    5 o  166.479   13.411   99.475   15.321   99.805   26.365   99.307   18.826  160.400   24.528  164.718   16.747 -4.318466 29.69983 
1 1 1   26   30    6 o  149.199   14.485   80.856   14.769   58.780   25.545   91.940   18.101  117.529   30.969  157.928   16.819 -40.39931 35.24133 
1 1 1   26   30    7 o   59.751   23.284   10.528   13.879   40.073   26.825  -0.2717   16.218   95.736   33.180   52.594   23.108 43.14182 40.43375 
1 1 1   26   30    8 o   61.873   24.979   10.674   16.516   0.0000   0.0000   10.674   16.516  ?   ?    61.873   24.979 0.000000 24.97861 
1 1 1   26   30    9 o  101.704   17.889   40.083   12.133   54.171   17.431   26.845   16.898  115.166   22.675   79.364   26.349 35.80217 34.76261 
1 1 1   26   30   10 o  146.040   12.267   78.206   12.284   74.834   17.721   81.324   17.042  137.578   19.129  145.062   17.317 -7.483505 25.80274 
1 1 1   26   30   11 o   83.264   20.707   29.226   11.883   42.307   16.358   14.611   17.291   97.488   24.323   63.060   25.523 34.42841 35.25637 
1 1 1   26   30   12 o   43.260   19.828  -3.3145   13.432   2.2039   16.262 -15.1658   23.831   50.641   22.643   49.589   23.826 1.052052 32.86909 
1 1 1   26   30   13 f   67.211   21.412   20.673   11.221   13.435   14.829   30.371   17.165   57.651   23.523   76.095   26.533 -18.44398 35.45849 
1 1 1   26   30   14 o   68.018   21.523   22.357   11.353   13.650   15.851   31.528   16.268   56.275   23.749   75.417   25.856 -19.14248 35.10766 
1 1 1   26   30   15 o   35.938   17.090  -6.2923   11.602 -14.8461   16.573   1.9291   16.248   38.201   18.698   45.669   21.240 -7.467415 28.29732 
1 1 1   26   32    0 o   97.496   25.578   37.221   17.475   47.498   21.222   15.580   30.796  109.248   27.953   81.376   33.627 27.87150 43.72834 
1 1 1   26   32    1 o  157.049   19.232   91.015   20.467   91.015   20.467   0.0000   0.0000  157.049   19.232  ?   ?  0.000000 19.23170 
1 1 1   26   32    2 o  239.979   9.4955  202.016   15.771  171.245   22.338  232.601   22.270  218.370   14.868  256.216   12.559 -37.84576 19.46250 
1 1 1   26   32    3 f   79.118   22.969   24.150   13.319   9.3306   19.339   37.522   18.371   65.589   26.824   96.991   26.579 -31.40125 37.76206 
1 1 1   26   32    4 o   37.600   17.948 -15.5864   13.049  -6.4479   18.502 -24.6325   18.408   52.403   23.728   42.979   20.721 9.423691 31.50206 
1 1 1   26   32    5 o  160.668   14.325   93.552   15.762   88.927   27.016   95.938   19.407  148.379   27.313  160.844   17.728 -12.46516 32.56211 
1 1 1   26   32    6 o   91.757   26.453   34.732   17.722   0.0000   0.0000   34.732   17.722  ?   ?    91.757   26.453 0.000000 26.45300 
1 1 1   26   32    7 f   75.273   22.226   22.648   12.378   23.565   17.933   21.813   17.106   76.851   27.098   74.575   26.447 2.275879 37.86430 
1 1 1   26   32    8 o   87.402   20.505   30.587   12.190   9.9261   17.109   51.890   17.372   61.204   25.153  112.777   23.035 -51.57328 34.10733 
1 1 1   26   32    9 o   68.579   25.958   18.330   16.906   18.330   16.906   0.0000   0.0000   68.579   25.958  ?   ?  0.000000 25.95848 
1 1 1   26   32   10 o   63.645   21.921   16.487   11.700   5.1943   16.243   28.666   16.868   54.505   23.545   79.495   26.322 -24.98999 35.31606 
1 1 1   26   32   11 o   30.739   15.107 -19.2051   11.167   1.2948   15.142 -43.6436   16.533   49.290   21.958   32.119   16.176 17.17065 27.27317 
1 1 1   26   32   12 f   34.877   16.708 -11.3711   11.529 -18.2630   15.666  -3.2286   17.029   38.309   18.624   47.495   21.969 -9.185978 28.80086 
1 1 1   26   32   13 o   73.677   21.327   25.233   11.499   17.459   15.722   34.172   16.860   61.200   24.489   80.001   26.308 -18.80073 35.94175 
1 1 1   26   32   14 o   70.952   21.407   24.751   11.390   39.176   15.980   9.8550   16.239   84.540   25.322   52.410   23.073 32.13013 34.25746 
1 1 1   26   34    0 o  102.848   24.505   41.601   17.195   30.176   20.617   67.707   31.165   87.670   29.105  125.531   34.708 -37.86081 45.29605 
1 1 1   26   34    1 o   71.257   25.867   17.589   16.469  -5.4600   20.572   58.732   27.485   56.128   25.253  117.946   32.588 -61.81750 41.22728 
1 1 1   26   34    2 o   89.253   22.760   31.136   14.103   24.228   20.196   37.711   19.703   80.568   28.719   96.436   27.919 -15.86830 40.05261 
1 1 1   26   34    3 o   55.013   22.277   6.5058   13.181   3.3490   18.835   9.5358   18.452   59.564   25.537   64.299   26.238 -4.735020 36.61407 
1 1 1   26   34    4 o   43.683   19.834  -5.5734   13.035  -5.7373   18.447  -5.4100   18.421   52.408   23.715   52.579   23.754 -0.1706963 33.56550 
1 1 1   26   34    5 o  102.701   22.897   41.956   15.861   24.907   30.933   48.036   18.474   84.174   34.113  108.784   25.054 -24.60948 42.32467 
1 1 1   26   34    6 o  124.935   17.835   59.100   14.984   23.790   24.981   78.943   18.727   79.642   31.182  143.662   19.324 -64.02034 36.68459 
1 1 1   26   34    7 o   99.593   20.790   39.474   13.868   19.805   22.111   52.229   17.805   73.823   29.201  113.030   23.525 -39.20670 37.49868 
1 1 1   26   34    8 o   59.746   22.265   12.749   12.335   28.754   17.880  -1.7853   17.039   81.227   27.111   51.317   23.045 29.91044 35.58135 
1 1 1   26   34    9 o   82.087   20.894   27.942   11.901   22.432   17.472   32.711   16.255   72.522   26.594   85.791   25.504 -13.26942 36.84674 
1 1 1   26   34   10 o   47.302   20.150   3.8166   11.592   24.380   15.887 -19.6009   16.953   73.521   25.531   40.532   19.626 32.98872 32.20324 
1 1 1   26   34   11 o   41.073   19.138  -6.3665   13.288 -15.2797   15.763   15.527   24.704   40.067   19.282   65.347   28.620 -25.28057 34.50948 
1 1 1   26   34   12 o   45.705   19.691   4.0761   11.300   5.0192   15.274   2.9357   16.795   50.678   22.340   50.561   22.776 0.1167221 31.90362 
1 1 1   26   34   13 o   37.374   17.423  -4.5573   11.037 -12.2413   14.577   5.7659   16.895   38.314   18.464   51.062   22.938 -12.74812 29.44566 
1 1 1   26   34   14 o   40.110   18.808  -3.2696   13.177   6.9366   21.547  -9.3669   16.655   51.914   24.249   40.861   19.702 11.05260 31.24435 
1 1 1   26   36    0 o  123.566   17.560   56.802   14.595   51.194   20.896   62.144   20.395  112.109   27.206  125.610   24.338 -13.50117 36.50370 
1 1 1   26   36    1 o  123.194   17.927   56.674   14.837   62.595   20.866   50.621   21.100  125.647   24.875  111.154   27.563 14.49384 37.12793 
1 1 1   26   36    2 o  151.034   16.251   83.875   16.721   72.719   20.608  105.366   28.604  136.944   22.527  162.384   26.354 -25.43987 34.66969 
1 1 1   26   36    3 o  120.615   17.059   54.261   13.844   50.905   19.383   57.756   19.778  112.044   25.561  120.159   24.610 -8.115112 35.48269 
1 1 1   26   36    4 o   35.362   17.427 -29.3082   15.198 -32.0732   29.315 -28.2920   17.773   54.230   26.146   40.066   19.557 14.16431 32.65136 
1 1 1   26   36    5 o   79.392   22.644   25.378   13.052   6.0455   18.155   46.060   18.778   59.668   25.311  105.093   25.967 -45.42490 36.26200 
1 1 1   26   36    6 o   61.197   23.731   12.111   14.363   0.6005   23.098   19.367   18.339   60.594   27.047   71.678   27.059 -11.08376 38.25933 
1 1 1   26   36    7 f   46.586   20.749  -1.4756   13.513   0.3252   17.209  -4.3722   21.825   53.134   23.553   55.673   25.427 -2.538132 34.65921 
1 1 1   26   36    8 o  113.312   16.120   49.134   12.285   59.637   17.927   39.832   16.870  120.092   22.392   95.441   25.176 24.65160 33.69277 
1 1 1   26   36    9 o   65.995   21.757   18.169   11.528   16.944   16.308   19.394   16.300   65.381   25.306   68.073   25.550 -2.692055 35.96057 
1 1 1   26   36   10 o   84.826   23.072   32.153   13.904   43.421   16.284   1.8283   26.713   98.020   24.158   59.824   27.617 38.19644 36.69196 
1 1 1   26   36   11 f   74.875   21.468   25.139   11.700   21.630   16.486   28.701   16.609   67.618   25.625   75.881   26.119 -8.262604 36.59008 
1 1 1   26   36   12 o   80.008   20.840   29.129   11.655   18.621   16.112   40.661   16.879   62.573   24.871   88.763   25.882 -26.19035 35.89516 
1 1 1   26   36   13 o   62.023   22.860   19.446   12.933   19.454   20.756   19.442   16.535   60.829   26.445   61.019   24.862 -0.1898499 36.29694 
1 1 1   26   38    0 o   64.561   22.186   15.302   11.981   13.005   27.535   15.839   13.307   74.156   31.298   66.080   23.338 8.075844 39.04122 
1 1 1   26   38    1 o  149.823   14.852   82.095   15.198   58.927   21.141  106.872   21.863  120.090   26.175  168.325   19.105 -48.23477 32.40512 
1 1 1   26   38    2 o  129.344   24.482   67.114   21.114   48.141   31.135   83.268   28.729  102.561   35.735  139.265   30.638 -36.70419 47.07076 
1 1 1   26   38    3 o   45.752   21.314 -10.9657   16.468 -43.4293   30.572   2.3035   19.546   51.997   25.439   58.583   25.562 -6.585442 36.06355 
1 1 1   26   38    4 o   51.795   21.657   4.5608   12.990 -14.7732   18.374   23.881   18.367   46.498   21.930   77.161   27.400 -30.66286 35.09552 
1 1 1   26   38    5 o  154.648   12.673   86.952   13.445   93.796   19.027   80.126   19.002  157.110   17.813  143.783   19.606 13.32799 26.48926 
1 1 1   26   38    6 o   42.211   19.625  -8.5112   13.853  -9.4488   21.815  -7.8776   17.933   53.023   24.644   48.878   22.586 4.144817 33.42848 
1 1 1   26   38    7 o   83.504   21.513   28.910   12.510   41.264   18.092   17.592   17.317   96.405   26.359   67.734   26.116 28.67183 37.10580 
1 1 1   26   38    8 o  100.624   17.893   40.113   12.005   33.715   17.189   46.205   16.773   85.886   26.378  103.223   23.942 -17.33683 35.62318 
1 1 1   26   38    9 o   63.921   23.468   17.041   13.611   28.874   16.393  -9.2244   24.423   78.642   25.945   53.504   25.249 25.13874 36.20290 
1 1 1   26   38   10 o   60.014   21.736   15.135   11.620   44.579   16.242 -15.7365   16.631   98.538   24.031   40.998   19.748 57.53996 31.10451 
1 1 1   26   38   11 o   42.220   19.028  -0.4473   11.737   13.989   15.929 -17.5949   17.361   58.759   24.224   40.512   19.674 18.24632 31.20699 
1 1 1   26   38   12 o   81.466   23.103   32.717   13.626   37.234   22.892   30.239   16.957   75.958   29.818   73.821   26.316 2.137230 39.76965 
1 1 1   26   38   13 o   47.720   20.182   8.2299   11.487   15.133   15.769   0.4237   16.768   55.730   23.612   45.905   21.426 9.824146 31.88399 
1 1 1   26   40    0 o   75.280   21.463   22.509   11.728   26.473   24.571   21.340   13.346   81.876   31.222   73.323   23.351 8.553078 38.98775 
1 1 1   26   40    1 o   89.267   19.820   31.225   11.926   32.893   27.378   30.834   13.250   87.992   33.096   87.719   21.893 0.2726059 39.68172 
1 1 1   26   40    2 o   42.313   20.826 -37.2839   21.476   0.0000   0.0000 -37.2839   21.476  ?   ?    42.313   20.826 0.000000 20.82552 
1 1 1   26   40    3 o   50.041   22.394  -2.3627   15.945  -8.8449   19.976   9.0195   26.470   51.628   23.850   68.895   29.908 -17.26687 38.25352 
1 1 1   26   40    4 f   57.958   22.700   10.359   13.241   17.065   18.720   3.6446   18.732   69.198   27.021   57.681   25.100 11.51779 36.87976 
1 1 1   26   40    5 o   52.823   21.935   5.9959   13.195   10.893   18.259   0.6436   19.089   62.582   25.880   55.543   24.705 7.039627 35.77829 
1 1 1   26   40    6 o   39.940   18.622  -8.2144   12.616 -24.6467   17.569   9.2801   18.128   40.138   19.560   60.470   25.451 -20.33181 32.09943 
1 1 1   26   40    7 o   50.765   21.737   4.2133   13.616   12.507   23.239  -0.1227   16.803   65.739   28.280   51.257   22.960 14.48210 36.42715 
1 1 1   26   40    8 o   74.140   24.039   24.486   14.096   12.882   17.070   49.366   24.994   61.176   25.131   96.149   32.052 -34.97229 40.72963 
1 1 1   26   40    9 o   88.633   20.115   33.362   12.056   28.092   17.026   38.663   17.075   76.205   26.433   89.804   25.988 -13.59900 37.06810 
1 1 1   26   40   10 o  111.098   16.876   50.005   12.568   62.083   17.461   37.019   18.106  118.147   22.167   84.442   27.230 33.70467 35.11192 
1 1 1   26   40   11 o   41.098   18.828  -2.0110   12.091 -15.6906   16.454   14.046   17.826   39.664   19.237   58.517   24.959 -18.85325 31.51262 
1 1 1   26   40   12 o   47.650   20.114   7.5557   11.375   3.5608   15.666   12.010   16.543   47.762   21.708   54.437   23.638 -6.675385 32.09357 
1 1 1   26   42    0 o   86.453   19.966   29.655   11.706  -4.0127   23.256   41.078   13.547   58.063   26.413  102.209   19.866 -44.14639 33.04983 
1 1 1   26   42    1 o   64.108   24.122   14.598   14.547   0.0000   0.0000   14.598   14.547  ?   ?    64.108   24.122 0.000000 24.12233 
1 1 1   26   42    2 o  161.535   11.303   94.050   12.557  100.537   27.122   92.280   14.167  154.672   26.275  158.998   12.987 -4.326004 29.30961 
1 1 1   26   42    3 o   99.639   19.110   39.064   12.699   14.634   27.525   45.671   14.314   72.017   30.874  107.339   20.003 -35.32159 36.78733 
1 1 1   26   42    4 o   84.478   22.785   29.866   13.627   35.614   19.769   24.663   18.810   88.677   28.438   76.208   27.647 12.46964 39.66240 
1 1 1   26   42    5 o   88.581   24.602   34.101   15.621   21.530   18.930   60.927   27.653   72.194   27.435  109.593   33.421 -37.39931 43.23903 
1 1 1   26   42    6 o  108.803   18.655   47.191   13.543   41.127   19.042   53.398   19.264   94.043   27.510  109.476   25.840 -15.43275 37.74273 
1 1 1   26   42    7 o   62.279   25.608   13.559   17.745   13.356   24.810   13.771   25.391   66.001   28.799   66.554   29.085 -0.5527420 40.93114 
1 1 1   26   42    8 o  118.148   15.550   54.402   12.407   43.617   17.594   65.068   17.498   96.110   25.875  123.883   21.168 -27.77268 33.43086 
1 1 1   26   42    9 o   67.057   22.535   20.391   12.355  -2.7942   17.871   41.620   17.100   48.700   22.519   92.352   25.773 -43.65276 34.22523 
1 1 1   26   42   10 o   68.633   22.284   22.151   12.111  -4.5853   17.432   47.100   16.840   46.334   21.697   98.171   24.781 -51.83703 32.93748 
1 1 1   26   42   11 o   58.918   21.752   16.322   11.719  -7.1186   16.368   40.973   16.785   42.837   20.350   87.179   25.916 -44.34164 32.95100 
1 1 1   26   42   12 o   50.175   20.594   10.680   11.451   18.621   15.929   2.1894   16.472   58.610   24.199   46.485   21.539 12.12464 32.39658 
1 1 1   26   44    0 o  172.166   12.365  107.962   14.636   0.0000   0.0000  107.962   14.636  ?   ?   172.166   12.365 0.000000 12.36486 
1 1 1   26   44    1 o   37.625   17.597  -8.5094   11.405   16.302   23.747 -15.9487   13.003   70.559   29.373   36.429   17.527 34.13079 34.20505 
1 1 1   26   44    2 o   75.017   21.615   23.203   11.835   52.634   25.909   15.441   13.305  103.660   32.475   63.645   23.227 40.01466 39.92656 
1 1 1   26   44    3 o   34.423   16.694 -17.3708   12.382  -2.9966   26.704 -21.3072   13.975   60.430   27.794   35.597   17.369 24.83279 32.77450 
1 1 1   26   44    4 o   90.713   19.433   33.256   11.833  -9.4049   26.767   43.619   13.192   57.107   26.788  104.606   18.918 -47.49952 32.79444 
1 1 1   26   44    5 f  131.164   13.181   64.081   11.804   62.244   25.237   64.595   13.355  111.563   31.373  130.305   15.087 -18.74129 34.81194 
1 1 1   26   44    6 o   46.274   21.070  -2.8533   14.843 -12.6559   18.142   16.990   25.813   45.209   21.461   68.659   29.670 -23.45046 36.61784 
1 1 1   26   44    7 o   58.789   23.236   13.037   13.990  -7.9854   22.735   25.849   17.748   51.923   24.460   73.670   26.835 -21.74702 36.31011 
1 1 1   26   44    8 o   56.265   22.270   12.038   12.867  -1.1305   19.047   23.093   17.451   50.972   23.454   69.382   26.347 -18.41069 35.27433 
1 1 1   26   44    9 o  122.545   15.400   59.725   12.773   57.146   18.986   61.857   17.264  107.777   25.796  117.303   22.074 -9.525215 33.95126 
1 1 1   26   44   10 o   55.327   22.208   12.975   12.975   19.327   22.335   9.7391   15.940   62.604   27.321   53.612   23.241 8.991978 35.86932 
1 1 1   26   44   11 o   52.044   20.816   11.802   11.354   14.150   16.103   9.4806   16.012   55.517   23.702   51.742   22.838 3.775494 32.91442 
1 1 1   26   46    0 o  158.597   11.632   91.632   12.679   93.659   25.130   90.940   14.685  147.512   25.539  156.506   13.695 -8.993515 28.97956 
1 1 1   26   46    1 o   71.472   21.236   21.186   11.272   9.9561   22.530   24.935   13.018   64.055   27.699   76.621   22.834 -12.56590 35.89799 
1 1 1   26   46    2 o  116.483   15.023   51.478   11.829   83.854   27.151   43.892   13.142  133.494   30.105  104.944   18.783 28.54990 35.48373 
1 1 1   26   46    3 o   99.996   17.549   39.450   11.702   75.707   25.925   30.172   13.115  125.754   30.172   84.123   22.201 41.63029 37.45996 
1 1 1   26   46    4 o   45.672   21.571 -11.4349   17.895 -25.2293   25.388   2.1859   25.228   49.007   23.798   60.206   27.435 -11.19940 36.31828 
1 1 1   26   46    5 o   66.865   22.565   19.218   12.388   26.156   25.914   17.162   14.104   74.593   30.838   64.194   23.831 10.39890 38.97278 
1 1 1   26   46    6 o   37.946   17.399  -3.9226   10.356   4.6790   23.090  -6.0886   11.587   58.445   26.482   38.578   17.940 19.86718 31.98656 
1 1 1   26   46    7 o  115.300   14.337   51.453   11.194   39.615   24.757   54.495   12.550   82.670   31.384  117.372   15.855 -34.70151 35.16137 
1 1 1   26   46    8 o   55.633   22.054   12.254   12.638   15.903   19.078   9.4015   16.870   61.574   26.023   55.346   23.951 6.227955 35.36753 
1 1 1   26   46    9 o   54.754   21.983   12.320   12.716  -8.8098   22.433   22.323   15.435   48.477   23.245   66.201   24.860 -17.72419 34.03470 
1 1 1   26   46   10 o   38.518   17.801  -2.5458   11.142   4.3575   14.913 -11.2672   16.762   47.703   21.478   40.905   19.734 6.798134 29.16744 
1 1 1   26   48    0 o   56.238   23.213   9.1169   14.650 -19.7122   22.793   29.409   19.123   48.240   23.208   79.239   27.977 -30.99939 36.35044 
1 1 1   26   48    1 o   40.607   18.350  -2.6417   11.001   2.7532   21.796  -4.4859   12.743   57.792   25.998   42.176   19.325 15.61635 32.39394 
1 1 1   26   48    2 o   57.537   21.422   12.558   11.413   22.190   24.886   9.9924   12.843   72.245   30.072   55.354   22.139 16.89108 37.34238 
1 1 1   26   48    3 o   30.162   14.873 -20.5387   11.122 -10.6049   24.336 -23.1616   12.505   52.918   25.043   31.746   15.675 21.17116 29.54408 
1 1 1   26   48    4 o   54.454   22.368   9.1579   13.521   25.888   25.658   2.7254   15.910   73.659   30.587   51.174   22.667 22.48479 38.07073 
1 1 1   26   48    5 o   46.508   20.243   2.8711   12.190   0.0000   0.0000   2.8711   12.190  ?   ?    46.508   20.243 0.000000 20.24309 
1 1 1   26   48    6 o   94.754   17.066   36.491   10.780   49.122   24.317   33.401   12.026   91.859   31.605   87.949   20.185 3.909248 37.50097 
1 1 1   26   48    7 o   39.216   17.861  -2.1793   10.674 -13.4683   25.449   0.2308   11.759   50.303   24.279   42.820   19.192 7.483044 30.94896 
1 1 1   26   48    8 o   39.783   19.144 -12.4698   15.533   0.0000   0.0000 -12.4698   15.533  ?   ?    39.783   19.144 0.000000 19.14424 
1 1 1   26   48    9 o   50.592   19.883   10.514   10.190   15.229   24.365   9.5149   11.218   58.962   26.904   49.872   20.417 9.090244 33.77418 
1 1 1   26   50    0 o   41.720   18.614  -0.7807   10.928   24.776   24.247  -7.2947   12.241   72.959   29.960   39.082   18.263 33.87772 35.08709 
1 1 1   26   50    1 o   72.834   24.664   24.198   14.800   7.9659   22.352   36.873   19.751   60.292   26.779   85.702   28.488 -25.41006 39.09834 
1 1 1   26   50    2 o   46.464   19.805   3.9402   11.211   16.298   22.234  -0.2726   12.982   65.550   27.915   45.125   20.200 20.42507 34.45696 
1 1 1   26   50    3 o   70.518   22.746   22.309   12.633 -14.5854   24.412   35.803   14.763   50.507   24.226   88.591   23.639 -38.08409 33.84871 
1 1 1   26   50    4 o   50.205   20.426   7.8412   11.140 -14.6488   25.816   12.988   12.349   51.303   24.686   57.257   22.061 -5.954510 33.10704 
1 1 1   26   50    5 o   58.841   22.949   14.354   13.490 -16.3805   24.141   28.307   16.266   48.675   23.532   75.298   25.852 -26.62281 34.95842 
1 1 1   26   50    6 o   37.341   17.369  -5.0144   10.872   11.859   26.398  -8.4612   11.931   61.248   27.969   36.909   17.487 24.33820 32.98577 
1 1 1   26   50    7 o   54.503   21.483   12.357   11.927   0.0000   0.0000   12.357   11.927  ?   ?    54.503   21.483 0.000000 21.48256 
1 1 1   26   50    8 o   54.029   22.672   12.125   14.314  -7.3024   25.492   21.071   17.299   49.975   24.165   62.706   25.476 -12.73136 35.11388 
1 1 1   26   52    0 o   58.342   21.101   14.082   10.945  -3.4259   23.584   18.888   12.357   54.071   25.294   65.280   22.525 -11.20868 33.86996 
1 1 1   26   52    1 o   43.102   19.959  -4.7896   14.110  -3.3215   22.199  -5.7848   18.278   52.843   24.660   47.743   22.312 5.100140 33.25584 
1 1 1   26   52    2 o   61.671   27.183   12.507   22.608   12.507   22.608   0.0000   0.0000   61.671   27.183  ?   ?  0.000000 27.18328 
1 1 1   26   52    3 o   61.366   21.606   16.508   11.397   45.371   25.583   9.3621   12.729   86.191   32.076   52.860   21.707 33.33120 38.73027 
1 1 1   26   52    4 o   65.568   21.371   19.477   11.135   25.659   25.382   18.004   12.392   69.550   29.727   62.933   22.489 6.616817 37.27534 
1 1 1   26   52    5 o   66.599   22.775   21.133   12.621   54.878   26.052   10.783   14.428   91.393   32.613   54.455   22.801 36.93784 39.79365 
1 1 1   26   52    6 o   37.224   17.717  -8.6824   12.521   0.0000   0.0000  -8.6824   12.521  ?   ?    37.224   17.717 0.000000 17.71666 
1 1 1   26   52    7 o   27.886   13.879 -20.9914   10.569  -5.6585   24.727 -24.4191   11.691   49.866   24.035   28.673   14.322 21.19333 27.97844 
1 1 1   26   54    0 o   84.008   20.081   30.913   11.517   2.9829   24.168   39.119   13.100   56.235   26.068   94.325   20.640 -38.09014 33.24991 
1 1 1   26   54    1 o   28.265   14.223 -32.8577   12.639  -6.8585   22.604 -44.6835   15.245   50.493   23.965   29.452   14.909 21.04048 28.22421 
1 1 1   26   54    2 o   59.682   23.804   15.490   14.807   25.917   23.048   8.1635   19.321   69.307   28.902   55.674   24.802 13.63317 38.08548 
1 1 1   26   54    3 o   80.625   20.655   29.392   11.577   13.166   25.840   33.467   12.950   60.994   27.783   84.943   21.890 -23.94885 35.37041 
1 1 1   26   54    4 o   73.193   21.529   25.274   11.634   0.8644   25.603   31.626   13.060   54.422   25.734   81.195   22.476 -26.77317 34.16706 
1 1 1   26   54    5 f   46.438   20.200   5.2189   12.125   0.0000   0.0000   5.2189   12.125  ?   ?    46.438   20.200 0.000000 20.20039 
1 1 1   26   54    6 o   42.407   19.379   0.2922   12.699 -22.7171   27.714   6.4076   14.288   46.321   22.955   48.502   21.482 -2.181725 31.43919 
1 1 1   26   56    0 o   80.438   23.628   32.118   14.021   62.049   25.925   19.745   16.669   96.674   32.643   63.036   25.218 33.63791 41.24952 
1 1 1   26   56    1 o   30.089   14.865 -19.3938   11.295 -12.2537   23.730 -21.4852   12.843   48.029   23.247   31.936   15.791 16.09271 28.10289 
1 1 1   26   56    2 o   70.177   24.556   25.785   14.709  -9.0537   24.747   44.815   18.290   49.609   23.944   89.925   27.126 -40.31626 36.18171 
1 1 1   26   56    3 o   76.556   21.468   28.132   11.834   44.312   26.013   23.909   13.289   77.905   31.384   68.284   23.369 9.620743 39.12924 
1 1 1   26   56    4 o   44.403   19.647   3.7460   11.921 -11.5024   27.458   7.2875   13.233   49.335   24.131   48.627   21.128 0.7086334 32.07294 
1 1 1   27    1    0 f  257.039   9.5912  229.820   17.063  203.951   29.424  242.926   20.944  240.000   17.841  263.975   11.463 -23.97552 21.20678 
1 1 1   27    1    1 o  248.155   8.3067  213.948   14.267  219.098   20.765  209.344   19.635  250.593   11.973  245.016   11.579 5.577164 16.65571 
1 1 1   27    1    2 o  489.011   6.3086  829.495   21.351  819.484   30.008  839.760   30.386  485.474   8.9309  491.443   8.9336 -5.968414 12.63211 
1 1 1   27    1    3 o   43.956   19.786  -5.8422   12.646   6.7976   17.903 -18.4273   17.864   63.786   25.916   46.120   21.713 17.66606 33.80958 
1 1 1   27    1    4 o  120.373   24.406   53.883   19.637   53.883   19.637   0.0000   0.0000  120.373   24.406  ?   ?  0.000000 24.40565 
1 1 1   27    1    5 o  366.277   7.9564  466.521   20.170  467.854   33.383  465.755   25.313  365.255   13.205  365.463   10.007 -0.2080994 16.56892 
1 1 1   27    1    6 o   59.371   23.721   7.2352   14.727   12.171   25.456   4.7520   18.056   76.405   30.952   61.638   25.632 14.76702 40.18782 
1 1 1   27    1    7 o  162.023   16.143   94.231   17.861  105.463   25.502   83.415   25.025  168.857   22.372  148.589   25.236 20.26761 33.72462 
1 1 1   27    1    8 o  150.829   15.177   81.959   15.628   90.420   20.100   69.024   24.853  156.869   18.893  132.281   28.018 24.58835 33.79281 
1 1 1   27    1    9 o  173.455   11.114  106.822   13.272  100.741   18.779  112.892   18.761  165.887   16.578  176.254   15.538 -10.36726 22.72161 
1 1 1   27    1   10 o   41.450   18.957  -6.1078   12.185 -15.5228   17.041   3.7421   17.430   44.361   20.982   57.319   24.570 -12.95872 32.31011 
1 1 1   27    1   11 o   73.332   22.659   21.816   12.662   27.136   17.738   16.289   18.081   80.150   27.001   68.127   26.569 12.02335 37.88090 
1 1 1   27    1   12 f  119.883   16.279   55.077   13.158   88.960   18.747   22.182   18.472  150.912   18.325   72.658   27.213 78.25471 32.80771 
1 1 1   27    1   13 o   72.941   22.440   23.242   12.434   32.076   17.630   14.497   17.541   82.045   26.898   62.732   25.589 19.31294 37.12518 
1 1 1   27    1   14 o  112.070   17.427   51.175   13.078   44.357   18.489   58.002   18.501   93.697   27.022  111.395   24.649 -17.69819 36.57505 
1 1 1   27    1   15 o   51.877   22.153   8.9343   14.073  -1.5684   17.198   30.220   24.483   47.040   21.869   70.105   29.546 -23.06522 36.75928 
1 1 1   27    1   16 o   52.342   22.091   11.793   13.718   30.049   22.705   1.2972   17.216   66.165   28.194   46.795   21.797 19.36971 35.63708 
1 1 1   27    1   17 o   43.667   20.072   3.9542   13.897   12.693   24.999   0.0462   16.718   51.836   24.771   43.362   20.589 8.473633 32.21034 
1 1 1   27    3    0 o  201.532   11.407  142.031   15.846  130.878   27.966  147.305   19.231  190.861   21.548  204.798   13.645 -13.93674 25.50484 
1 1 1   27    3    1 o   67.507   24.289   14.005   14.478   46.102   25.944  -0.5133   17.448  110.747   32.029   56.931   24.498 53.81615 40.32395 
1 1 1   27    3    2 o  298.247   8.6852  309.217   17.928  315.561   31.001  306.029   21.975  299.970   14.932  296.357   10.714 3.612823 18.37820 
1 1 1   27    3    3 o  259.101   9.5719  233.678   17.165  223.024   29.794  238.971   21.000  250.931   17.260  261.664   11.596 -10.73286 20.79377 
1 1 1   27    3    4 o  394.356   7.6421  540.353   20.858  559.512   35.806  530.511   25.662  399.786   12.940  390.320   9.4993 9.465729 16.05281 
1 1 1   27    3    5 o  312.252   8.5218  339.306   18.417  363.317   32.213  327.646   22.447  321.420   14.480  306.375   10.586 15.04514 17.93728 
1 1 1   27    3    6 o   55.229   23.157   2.8099   14.913  -6.8683   25.965   7.5738   18.217   64.245   28.677   64.344   26.142 -0.9978485E-01 38.80441 
1 1 1   27    3    7 o  281.001   7.9397  275.129   15.442  298.140   22.808  255.655   20.982  291.497   11.305  269.954   11.230 21.54254 15.93465 
1 1 1   27    3    8 o  129.166   17.089   60.987   14.902   45.412   19.523   82.732   23.068  107.471   26.430  147.714   23.339 -40.24352 35.25992 
1 1 1   27    3    9 o  199.134   11.328  140.830   15.548  134.635   19.627  151.268   25.475  192.954   14.809  202.294   18.396 -9.339401 23.61675 
1 1 1   27    3   10 o  133.956   14.732   65.848   13.432   56.486   18.257   76.899   19.834  119.324   22.940  141.054   20.953 -21.72993 31.06845 
1 1 1   27    3   11 o   43.250   19.505  -3.5178   12.357   12.559   17.099 -21.0918   17.877   63.698   25.521   42.529   20.484 21.16824 32.72429 
1 1 1   27    3   12 o   71.999   22.568   21.738   12.510   16.761   17.311   27.179   18.098   66.557   25.986   78.186   27.245 -11.62852 37.65029 
1 1 1   27    3   13 o   50.145   21.048   5.8725   12.343   10.873   17.355   0.7546   17.558   59.337   24.935   51.855   23.330 7.481750 34.14772 
1 1 1   27    3   14 o   43.963   20.192  -2.8892   14.027   11.149   17.020 -32.6146   24.767   57.480   24.450   44.386   21.943 13.09364 32.85239 
1 1 1   27    3   15 o   72.157   22.160   25.111   12.132   9.9000   17.082   40.590   17.232   54.402   23.813   86.873   26.358 -32.47137 35.52206 
1 1 1   27    3   16 o   42.068   19.485  -0.8614   13.462 -11.2957   16.200   22.424   24.200   39.681   19.207   60.819   27.374 -21.13831 33.44020 
1 1 1   27    3   17 o   41.586   19.773  -1.6435   15.522   1.3420   22.723  -4.2551   21.253   46.967   22.737   44.300   21.572 2.666767 31.34211 
1 1 1   27    5    0 o  141.873   15.918   71.514   15.360   88.829   27.257   63.457   18.594  155.252   26.306  132.236   21.020 23.01596 33.67245 
1 1 1   27    5    1 o  222.223   10.512  172.003   16.168  193.024   28.743  162.272   19.556  233.331   17.936  215.054   13.202 18.27699 22.27110 
1 1 1   27    5    2 o   60.894   23.963   8.0945   14.819 -45.7220   27.620   29.848   17.560   50.831   24.716   90.034   26.441 -39.20266 36.19389 
1 1 1   27    5    3 o  230.944   10.506  185.889   16.792  216.976   28.973  170.165   20.606  247.535   17.015  220.029   13.598 27.50575 21.78052 
1 1 1   27    5    4 o  223.693   10.483  174.502   16.230  154.683   27.294  185.343   20.186  207.929   19.182  229.775   12.743 -21.84563 23.02925 
1 1 1   27    5    5 o   73.763   26.030   17.890   16.551   34.207   20.412 -13.4341   28.282   95.507   28.622   64.067   29.137 31.44032 40.84378 
1 1 1   27    5    6 o  128.914   15.410   59.532   13.476   81.967   19.508   39.054   18.639  150.305   19.191  101.208   26.350 49.09689 32.59812 
1 1 1   27    5    7 o  210.545   10.043  155.130   14.635  123.804   21.647  181.506   19.863  185.453   17.056  226.647   12.714 -41.19420 21.27293 
1 1 1   27    5    8 o   61.222   22.876   11.397   13.039   15.238   19.491   8.2868   17.542   71.713   27.691   63.032   25.636 8.680622 37.73605 
1 1 1   27    5    9 o  215.648   9.8106  163.792   14.643  147.404   20.532  180.753   20.888  201.866   14.799  224.424   13.511 -22.55847 20.03856 
1 1 1   27    5   10 o  139.549   15.865   72.085   15.050   99.032   18.675   22.161   25.420  163.203   16.772   78.961   31.286 84.24200 35.49789 
1 1 1   27    5   11 o  145.254   15.237   78.600   15.090   67.761   18.385  100.976   26.416  130.753   21.029  155.930   25.347 -25.17805 32.93500 
1 1 1   27    5   12 f   52.733   21.483   7.4309   12.344 -14.7274   16.917   32.668   18.054   43.210   20.573   84.750   27.176 -41.54048 34.08491 
1 1 1   27    5   13 o   50.090   21.826   3.5427   14.206   7.4887   17.416  -4.3005   24.554   56.512   24.396   55.712   25.977 0.7998123 35.63675 
1 1 1   27    5   14 o   38.676   18.150  -7.0648   12.310 -24.5057   17.001   12.160   17.849   37.759   18.574   58.668   24.998 -20.90927 31.14324 
1 1 1   27    5   15 o   36.521   17.768 -15.6497   14.332 -20.5024   24.113 -12.9988   17.822   45.583   22.361   42.085   20.314 3.498383 30.21068 
1 1 1   27    5   16 o  108.678   16.482   50.498   12.009   49.489   16.428   51.655   17.597   96.147   24.590   96.034   25.887 0.1130524 35.70485 
1 1 1   27    5   17 o   41.313   19.128   1.7188   12.955   0.8088   22.390   2.1769   15.885   46.490   22.522   43.742   20.556 2.747616 30.49253 
1 1 1   27    7    0 o   69.957   24.844   15.475   15.100   33.405   27.160   7.4529   18.166   97.819   33.409   64.847   26.190 32.97237 42.45121 
1 1 1   27    7    1 o  228.368   10.483  181.668   16.570  196.781   29.454  174.671   20.042  235.462   18.215  223.160   13.033 12.30228 22.39766 
1 1 1   27    7    2 o  167.266   13.524   98.542   15.522   91.902   28.062  101.468   18.632  157.605   26.678  169.140   16.111 -11.53462 31.16535 
1 1 1   27    7    3 o  188.402   10.868  124.197   14.112  125.972   21.271  122.802   18.860  188.425   16.476  186.484   14.732 1.941147 22.10222 
1 1 1   27    7    4 o  341.090   10.401  405.756   24.554  405.756   24.554   0.0000   0.0000  341.090   10.401  ?   ?  0.000000 10.40088 
1 1 1   27    7    5 o   60.862   23.226   9.7745   13.604   6.5212   20.093   12.528   18.485   66.011   27.209   69.637   26.945 -3.626259 38.29325 
1 1 1   27    7    6 o  230.387   9.3435  185.193   14.899  190.462   22.024  180.747   20.230  232.150   13.769  226.400   12.964 5.749863 18.91166 
1 1 1   27    7    7 o  134.225   15.125   64.734   13.806   54.409   20.380   73.492   18.769  119.049   25.502  141.415   19.713 -22.36528 32.23281 
1 1 1   27    7    8 o  182.073   11.148  117.240   13.981  123.017   19.994  111.713   19.558  184.562   15.805  175.600   16.277 8.962204 22.68767 
1 1 1   27    7    9 o   68.386   23.323   17.226   13.236   1.1941   18.745   33.167   18.692   57.714   25.111   90.390   27.458 -32.67591 37.20931 
1 1 1   27    7   10 o   47.793   20.667   0.9181   12.541   10.043   17.595  -8.5050   17.880   62.740   25.614   49.340   22.711 13.40062 34.23294 
1 1 1   27    7   11 o  134.021   15.914   67.528   14.473   69.378   17.871   64.000   24.673  132.935   20.046  119.024   29.970 13.91071 36.05645 
1 1 1   27    7   12 o   58.756   24.805   8.6654   17.302   8.6654   17.302   0.0000   0.0000   58.756   24.805  ?   ?  0.000000 24.80492 
1 1 1   27    7   13 o   65.583   22.354   18.463   12.159   28.943   17.031   7.5705   17.364   78.081   26.457   56.404   24.354 21.67705 35.95992 
1 1 1   27    7   14 o   37.449   17.690  -8.2576   12.043  -8.7597   16.899  -7.7393   17.168   44.117   20.875   44.961   21.203 -0.8440819 29.75488 
1 1 1   27    7   15 o   58.367   23.417   15.675   14.418   18.086   17.153   9.8683   26.616   60.938   25.132   58.173   27.099 2.764370 36.95850 
1 1 1   27    7   16 o   35.216   17.141 -13.1938   13.378 -29.3512   22.677  -4.5687   16.568   40.156   20.041   42.943   20.421 -2.786659 28.61204 
1 1 1   27    7   17 o   48.709   20.309   11.592   11.378   26.237   15.621  -4.9556   16.605   62.162   24.558   40.657   19.621 21.50562 31.43378 
1 1 1   27    9    0 o  222.584   9.7493  172.442   15.019  150.137   21.372  194.202   21.110  206.341   15.070  235.335   13.011 -28.99359 19.90959 
1 1 1   27    9    1 o   57.510   23.432   5.0766   14.687 -82.0000   26.763   42.602   17.569   40.861   20.579  107.012   24.278 -66.15124 31.82686 
1 1 1   27    9    2 o  121.014   16.156   52.389   13.193   52.508   19.131   52.282   18.219  119.025   24.050  119.072   22.940 -0.4739380E-01 33.23625 
1 1 1   27    9    3 o  391.339   6.5827  531.544   17.829  530.014   25.490  533.010   24.948  390.166   9.4392  391.324   9.2112 -1.157898 13.18884 
1 1 1   27    9    4 o  132.512   14.818   62.487   13.358   74.692   19.569   51.840   18.278  143.451   20.275  118.203   23.171 25.24782 30.78887 
1 1 1   27    9    5 o  190.591   10.932  127.371   14.360  115.873   21.042  137.392   19.645  180.041   17.092  197.013   14.509 -16.97264 22.41975 
1 1 1   27    9    6 o  160.501   13.127   91.229   14.455   94.760   21.132   88.124   19.815  161.532   19.283  155.907   18.739 5.624344 26.88873 
1 1 1   27    9    7 o  218.486   9.9066  167.162   14.980  141.203   22.304  188.496   20.220  198.174   16.409  230.807   12.707 -32.63260 20.75373 
1 1 1   27    9    8 o   38.819   18.305 -12.7582   12.791   6.0249   18.750 -29.1078   17.493   62.238   26.021   39.903   19.461 22.33516 32.49343 
1 1 1   27    9    9 o  162.370   12.374   94.484   13.801   76.013   19.829  111.838   19.220  141.098   20.941  174.744   16.072 -33.64650 26.39762 
1 1 1   27    9   10 o   42.757   19.400  -4.8116   12.445 -15.5120   17.819   5.3769   17.388   45.400   21.468   58.277   24.749 -12.87653 32.76260 
1 1 1   27    9   11 o  105.502   21.293   44.879   15.012   35.879   17.873   66.439   27.663   90.631   26.692  117.984   32.729 -27.35307 42.23351 
1 1 1   27    9   12 o  100.688   21.381   42.086   14.439   51.128   17.740   24.337   24.856  108.794   24.186   75.286   30.555 33.50784 38.96914 
1 1 1   27    9   13 o   74.105   29.675   26.678   23.107   0.0000   0.0000   26.678   23.107  ?   ?    74.105   29.675 0.000000 29.67542 
1 1 1   27    9   14 o   58.057   23.280   13.677   14.241   42.463   25.941   1.2601   17.037   82.530   31.924   49.835   22.646 32.69576 39.14063 
1 1 1   27    9   15 o   35.115   17.188 -17.5669   14.005 -38.8049   24.587  -7.3659   17.040   41.032   20.536   43.513   20.697 -2.480602 29.15665 
1 1 1   27    9   16 o   47.707   20.433   8.2260   12.036   4.3629   16.855   12.245   17.193   47.835   22.031   53.174   23.558 -5.339008 32.25388 
1 1 1   27    9   17 o   34.319   16.495  -6.7261   11.445  -7.7002   15.759  -5.6389   16.649   38.589   18.742   40.201   19.462 -1.611351 27.01863 
1 1 1   27   11    0 o   78.098   23.242   22.174   13.495   20.253   18.795   24.219   19.388   78.709   27.742   83.698   28.229 -4.988274 39.57895 
1 1 1   27   11    1 o   63.966   24.271   10.892   14.801  -8.3475   18.548   44.624   24.559   53.040   23.910  108.688   31.083 -55.64822 39.21584 
1 1 1   27   11    2 o   81.395   22.421   24.446   13.033   17.821   18.800   30.576   18.085   75.896   27.623   90.920   26.871 -15.02432 38.53675 
1 1 1   27   11    3 f  424.696   6.6181  626.121   19.453  602.354   28.100  647.993   26.957  415.796   9.7645  431.472   9.0269 -15.67609 13.29780 
1 1 1   27   11    4 o  119.063   16.772   51.046   13.438   32.455   19.683   67.279   18.392   93.256   28.142  135.965   20.155 -42.70950 34.61489 
1 1 1   27   11    5 o  335.190   7.4006  390.677   17.169  399.265   24.928  382.928   23.680  337.984   10.656  331.094   10.334 6.889313 14.84405 
1 1 1   27   11    6 o   62.906   23.074   12.126   13.155   6.2326   19.384   17.158   17.910   64.334   26.640   73.413   26.925 -9.078949 37.87619 
1 1 1   27   11    7 o  210.379   10.117  155.185   14.731  156.429   21.699  154.122   20.062  209.063   15.098  207.981   14.019 1.082138 20.60285 
1 1 1   27   11    8 o  186.455   10.847  123.015   13.937  127.229   20.473  119.375   19.027  187.289   15.946  181.725   15.270 5.563797 22.07779 
1 1 1   27   11    9 o   45.333   20.094  -2.2100   12.523 -23.9199   18.565   15.917   16.964   43.221   20.831   68.812   26.013 -25.59048 33.32586 
1 1 1   27   11   10 o   66.137   24.501   15.700   14.894   11.466   17.968   24.995   26.625   64.045   25.984   80.900   32.030 -16.85552 41.24424 
1 1 1   27   11   11 o   78.198   22.400   25.338   12.745   34.204   17.852   16.122   18.200   88.151   26.846   67.315   26.536 20.83662 37.74710 
1 1 1   27   11   12 f   36.907   17.533 -11.3101   12.153  -8.1283   17.528 -14.2558   16.865   47.166   21.978   43.098   20.526 4.067688 30.07184 
1 1 1   27   11   13 o   59.600   23.566   13.649   14.396   25.282   17.722  -8.9171   24.683   72.920   26.777   53.223   25.197 19.69695 36.76794 
1 1 1   27   11   14 o   44.218   20.506  -3.8030   14.979 -15.4011   18.436   18.727   25.695   42.718   20.630   65.076   28.817 -22.35873 35.43997 
1 1 1   27   11   15 o   46.725   20.143   5.8598   11.839   6.2565   16.644   5.4537   16.844   50.823   22.803   50.418   22.752 0.4049683 32.21203 
1 1 1   27   11   16 o   65.762   22.198   23.049   11.988   25.806   17.005   20.325   16.903   64.399   25.566   59.276   24.738 5.123161 35.57498 
1 1 1   27   11   17 o   40.380   18.522   2.6507   11.750  -9.6148   16.658   14.797   16.577   38.396   18.783   50.904   22.804 -12.50793 29.54335 
1 1 1   27   13    0 o  240.859   9.5829  201.980   15.975  171.103   22.859  231.454   22.334  220.210   15.089  257.280   12.542 -37.06990 19.62139 
1 1 1   27   13    1 o  336.424   7.1783  393.034   16.714  370.089   23.213  417.739   24.086  325.861   10.293  346.260   10.050 -20.39993 14.38573 
1 1 1   27   13    2 o   43.910   19.812  -6.1448   12.768 -20.9619   18.785   6.5777   17.406   46.401   21.971   62.761   25.533 -16.35957 33.68486 
1 1 1   27   13    3 o  138.258   14.249   67.833   13.439   58.840   19.706   75.651   18.376  126.015   23.458  144.844   18.772 -18.82912 30.04410 
1 1 1   27   13    4 o  172.869   11.832  105.079   14.072   99.415   20.579  110.053   19.285  166.340   18.171  175.799   16.026 -9.458801 24.22802 
1 1 1   27   13    5 o  310.308   7.6737  335.060   16.481  323.911   24.153  344.773   22.545  304.072   11.477  314.062   10.372 -9.990051 15.46878 
1 1 1   27   13    6 o  133.908   15.234   64.405   13.867   55.941   20.374   71.711   18.929  121.042   25.141  139.584   20.179 -18.54179 32.23765 
1 1 1   27   13    7 o  119.462   16.889   52.209   13.575   45.486   20.050   57.898   18.446  107.390   27.003  123.589   22.389 -16.19897 35.07772 
1 1 1   27   13    8 o   65.545   24.245   14.123   14.573   25.854   25.518   8.4457   17.753   84.568   31.921   62.790   25.692 21.77819 40.97604 
1 1 1   27   13    9 o  161.933   14.243   95.368   15.801   82.015   19.427  121.463   27.158  146.982   19.585  176.733   22.729 -29.75137 30.00289 
1 1 1   27   13   10 o   61.642   22.695   13.420   12.742   10.354   18.354   16.272   17.705   63.140   26.013   68.296   26.386 -5.156372 37.05256 
1 1 1   27   13   11 f  154.731   12.433   87.516   13.202   87.630   18.527   87.398   18.818  150.477   18.156  149.963   18.524 0.5138855 25.93839 
1 1 1   27   13   12 o   36.654   17.451 -11.6490   12.167 -22.4294   17.407  -1.3515   17.013   40.249   19.582   50.396   22.792 -10.14649 30.04919 
1 1 1   27   13   13 o  108.045   18.231   47.640   13.148   36.463   19.151   57.604   18.082   84.654   28.048  113.187   23.835 -28.53229 36.80781 
1 1 1   27   13   14 o   43.073   20.056  -4.5268   14.554  -4.9756   25.401  -4.3074   17.759   53.066   25.250   46.900   21.942 6.166115 33.45205 
1 1 1   27   13   15 o   38.994   18.561  -7.9104   13.753  -5.3038   16.871 -13.0732   23.744   43.975   20.823   46.848   22.810 -2.872578 30.88499 
1 1 1   27   13   16 o   33.966   16.398  -9.7635   11.623 -17.0900   16.836  -3.0908   16.067   37.537   18.468   42.611   20.219 -5.073982 27.38365 
1 1 1   27   15    0 o  144.102   16.997   74.264   16.626   74.643   20.628   73.561   28.087  143.137   21.486  139.096   30.053 4.040680 36.94318 
1 1 1   27   15    1 o  365.266   7.1165  463.379   17.991  447.173   25.128  480.424   25.770  358.158   10.137  371.263   10.029 -13.10583 14.25968 
1 1 1   27   15    2 o  223.014   9.4785  173.266   14.630  170.013   21.012  176.327   20.383  219.653   13.893  223.899   13.212 -4.246170 19.17200 
1 1 1   27   15    3 o   51.398   21.551   2.1469   12.918 -30.9577   19.154   29.768   17.496   42.691   20.717   89.359   26.435 -46.66785 33.58596 
1 1 1   27   15    4 o  270.981   8.2396  255.632   15.453  273.307   22.428  239.658   21.322  279.378   11.599  261.567   11.778 17.81064 16.53068 
1 1 1   27   15    5 o   93.597   21.545   32.899   13.667   6.6490   20.209   55.024   18.554   65.779   27.216  121.188   22.961 -55.40947 35.60797 
1 1 1   27   15    6 o  198.782   10.511  138.946   14.410  143.786   21.005  134.644   19.806  200.496   15.251  194.146   14.852 6.349182 21.28811 
1 1 1   27   15    7 o  201.867   10.259  143.594   14.286  127.924   21.137  156.769   19.383  187.878   16.420  209.632   13.430 -21.75363 21.21305 
1 1 1   27   15    8 o  167.513   13.981  101.267   16.061  101.525   20.242  100.829   26.388  165.575   17.951  160.700   24.501 4.875122 30.37332 
1 1 1   27   15    9 o   70.767   23.049   19.446   12.953   40.231   19.126   1.8358   17.604   97.947   27.229   56.013   24.353 41.93388 36.53086 
1 1 1   27   15   10 o   47.500   20.473   1.6158   12.225 -12.4277   18.046   13.528   16.620   46.895   21.997   64.420   25.369 -17.52544 33.57757 
1 1 1   27   15   11 o   63.037   22.599   15.422   12.522   22.892   17.946   8.3347   17.481   73.636   26.960   59.088   24.938 14.54853 36.72545 
1 1 1   27   15   12 o   71.501   22.541   22.091   12.461   15.241   18.176   28.165   17.116   64.156   26.095   77.987   26.522 -13.83046 37.20714 
1 1 1   27   15   13 o   45.235   20.731  -2.7726   14.676   1.1249   25.069  -4.8048   18.102   57.299   26.558   48.153   22.403 9.146633 34.74490 
1 1 1   27   15   14 o   99.734   18.790   42.576   12.494   42.579   17.397   42.572   17.956   90.615   26.234   89.676   26.838 0.9388962 37.53026 
1 1 1   27   15   15 o   55.301   21.607   14.087   11.975   17.474   17.515   11.115   16.409   59.033   24.941   53.630   23.411 5.403542 34.20731 
1 1 1   27   15   16 o   57.608   22.858   18.486   13.587   18.509   16.438   18.439   24.141   56.755   24.080   56.188   26.049 0.5674057 35.47413 
1 1 1   27   17    0 o   43.015   20.332 -17.4578   15.955  -4.5029   19.600 -42.9024   27.469   57.070   25.225   51.259   24.860 5.811073 35.41628 
1 1 1   27   17    1 o  230.511   9.5421  185.165   15.224  156.969   21.015  216.301   22.084  210.810   14.491  248.104   12.905 -37.29440 19.40451 
1 1 1   27   17    2 f   64.295   23.306   12.724   13.363   3.4482   19.216   21.413   18.597   62.323   26.216   79.413   27.621 -17.09037 38.08150 
1 1 1   27   17    3 o   53.776   22.235   3.6432   13.475   0.0218   19.822   6.7544   18.373   60.389   26.048   63.884   26.138 -3.494541 36.90149 
1 1 1   27   17    4 o   92.292   21.883   31.983   13.765   11.337   20.297   49.567   18.732   70.090   27.897  114.533   24.379 -44.44292 37.04842 
1 1 1   27   17    5 f  201.621   10.684  142.839   14.856  157.517   21.762  130.029   20.331  210.225   15.057  190.725   15.537 19.49976 21.63546 
1 1 1   27   17    6 o  162.948   12.374   94.262   13.851   65.846   19.666  122.233   19.512  132.173   22.291  184.458   15.425 -52.28442 27.10790 
1 1 1   27   17    7 o  151.663   15.649   83.547   16.191   67.218   19.876  115.756   27.915  132.610   22.457  173.845   23.827 -41.23517 32.74225 
1 1 1   27   17    8 o  150.661   13.432   81.967   13.860   88.046   20.498   76.848   18.811  152.588   19.882  142.613   19.575 9.975250 27.90049 
1 1 1   27   17    9 o  100.210   21.696   39.872   14.611   71.122   28.004   28.183   17.128  126.232   32.008   82.631   26.467 43.60121 41.53334 
1 1 1   27   17   10 o  157.076   12.116   89.551   13.070   84.575   19.238   93.816   17.812  147.567   19.299  157.706   16.566 -10.13855 25.43357 
1 1 1   27   17   11 o   94.930   19.927   36.543   12.675   46.761   18.539   27.574   17.369  102.583   26.061   78.695   26.718 23.88798 37.32293 
1 1 1   27   17   12 o   69.687   24.312   21.420   14.414   66.195   25.928   1.3937   17.340  112.613   31.845   52.100   23.332 60.51323 39.47801 
1 1 1   27   17   13 o   42.896   19.325  -0.7893   12.093   11.996   17.367 -12.8223   16.849   58.608   24.803   42.360   20.268 16.24770 32.03070 
1 1 1   27   17   14 o   35.395   16.939 -10.1550   11.784   13.809   16.342 -36.1127   17.008   57.670   24.213   33.692   16.894 23.97783 29.52438 
1 1 1   27   17   15 o   32.226   15.745 -14.4836   11.596   1.9934   16.591 -30.2209   16.215   47.134   21.761   33.472   16.741 13.66181 27.45565 
1 1 1   27   17   16 o   48.935   20.404   10.857   11.484   17.310   15.890   3.7998   16.616   55.182   23.551   45.944   21.405 9.237900 31.82506 
1 1 1   27   19    0 o   64.240   25.067   10.000   16.102   8.4701   19.722   13.059   27.885   67.214   27.239   79.723   32.361 -12.50935 42.29892 
1 1 1   27   19    1 o  132.794   15.440   63.020   13.926   77.951   19.375   47.063   20.030  146.590   19.587  111.351   26.393 35.23904 32.86643 
1 1 1   27   19    2 o   86.876   22.745   28.285   13.837   8.0293   19.560   48.573   19.576   66.487   27.060  113.237   25.582 -46.75014 37.23753 
1 1 1   27   19    3 o  115.304   17.772   48.378   13.727   75.090   19.219   20.558   19.614  143.435   19.896   78.726   28.276 64.70953 34.57429 
1 1 1   27   19    4 o  142.647   14.508   72.673   14.125   89.111   20.573   58.016   19.426  156.324   19.435  124.175   23.464 32.14887 30.46708 
1 1 1   27   19    5 o  120.614   16.534   52.898   13.439   45.420   19.646   59.477   18.425  107.995   26.486  125.892   21.944 -17.89750 34.39496 
1 1 1   27   19    6 o   60.707   24.257   8.6385   15.402   17.067   18.810  -8.5073   26.828   72.877   27.428   62.839   28.502 10.03775 39.55579 
1 1 1   27   19    7 o   77.502   22.932   23.307   13.165   16.880   18.746   29.562   18.493   71.803   27.297   86.220   27.490 -14.41763 38.74044 
1 1 1   27   19    8 f   53.353   21.770   5.9683   12.701  -0.6668   19.587   10.782   16.683   56.985   25.200   62.988   25.218 -6.002796 35.65150 
1 1 1   27   19    9 o   79.255   25.189   25.830   15.536   25.419   19.917   26.468   24.829   79.044   28.483   81.315   31.294 -2.271027 42.31598 
1 1 1   27   19   10 o   59.551   22.567   12.327   12.787   15.669   19.216   9.6717   17.130   67.490   27.049   60.455   25.039 7.035011 36.85922 
1 1 1   27   19   11 o   38.604   18.555 -15.9973   14.481 -78.8293   28.204   6.4944   16.875   40.078   20.287   56.327   24.161 -16.24918 31.54911 
1 1 1   27   19   12 f   39.546   18.338  -5.8266   11.972 -17.8246   16.967   6.0699   16.896   40.978   19.790   54.708   23.822 -13.72924 30.96977 
1 1 1   27   19   13 o   77.540   21.894   27.384   12.265   37.721   17.744   17.927   16.972   85.685   26.881   63.369   25.413 22.31593 36.99199 
1 1 1   27   19   14 o   79.179   21.269   29.338   11.903   29.787   16.401   28.839   17.302   74.031   25.928   72.146   26.463 1.884590 37.04840 
1 1 1   27   19   15 o   38.982   18.176  -3.0165   12.022   8.0051   16.859 -14.4201   17.148   50.696   22.830   39.520   19.273 11.17596 29.87761 
1 1 1   27   19   16 o   38.173   18.019  -2.8648   12.453 -11.3694   15.303   13.810   21.428   37.175   18.146   52.162   24.304 -14.98775 30.33102 
1 1 1   27   21    0 o  171.205   14.539  104.071   17.065  100.489   20.932  111.171   29.468  166.943   18.423  172.751   25.405 -5.808334 31.38206 
1 1 1   27   21    1 o  125.355   17.332   56.847   14.635   65.257   20.854   48.686   20.543  132.229   23.655  112.861   26.714 19.36790 35.68251 
1 1 1   27   21    2 o   59.878   23.147   9.1353   13.631  -7.3578   19.098   26.263   19.462   54.023   24.317   85.047   28.280 -31.02388 37.29672 
1 1 1   27   21    3 o   70.476   23.668   17.453   13.629   11.076   19.360   23.718   19.189   68.567   27.260   81.673   28.077 -13.10532 39.13359 
1 1 1   27   21    4 o   74.516   23.656   20.448   13.706   46.592   19.851  -3.3672   18.946  109.526   26.479   56.044   24.784 53.48232 36.26864 
1 1 1   27   21    5 o  111.142   22.130   46.971   16.425   25.761   19.938   91.756   28.973   83.317   28.621  152.732   28.455 -69.41520 40.35926 
1 1 1   27   21    6 o  186.833   11.421  123.818   14.697  112.069   20.714  135.729   20.857  174.954   17.335  193.596   15.701 -18.64204 23.38849 
1 1 1   27   21    7 o  196.703   10.351  137.076   14.043  123.391   20.861  148.415   18.989  183.271   16.627  203.023   13.592 -19.75182 21.47601 
1 1 1   27   21    8 o   98.552   21.355   38.312   14.145   23.459   26.129   44.470   16.824   80.308   31.751  104.989   23.713 -24.68079 39.62875 
1 1 1   27   21    9 o  111.331   19.135   48.202   14.213   59.317   25.288   43.070   17.184  113.977   31.163  101.511   24.695 12.46571 39.76130 
1 1 1   27   21   10 o   41.619   20.012 -18.6097   16.888   0.0000   0.0000 -18.6097   16.888  ?   ?    41.619   20.012 0.000000 20.01176 
1 1 1   27   21   11 o   64.448   23.877   16.828   14.145   5.4488   24.430   22.567   17.349   61.551   27.620   71.720   26.469 -10.16870 38.25550 
1 1 1   27   21   12 o   42.475   19.695  -5.5274   13.810 -11.5659   24.021  -2.5463   16.878   51.391   24.481   48.382   22.195 3.008560 33.04436 
1 1 1   27   21   13 o   42.167   19.119  -1.0875   12.059 -20.9545   16.944   19.300   17.165   38.683   18.928   64.138   25.615 -25.45489 31.84944 
1 1 1   27   21   14 o   59.911   21.896   17.073   11.830   13.439   16.144   21.288   17.385   56.268   23.869   63.500   25.630 -7.232231 35.02295 
1 1 1   27   21   15 o   70.952   23.954   28.270   13.961   37.296   17.394   11.927   23.406   77.197   26.720   54.589   25.423 22.60768 36.88241 
1 1 1   27   21   16 o   61.442   21.886   21.948   11.727   32.409   16.404   11.015   16.771   67.640   25.578   49.034   22.353 18.60557 33.96952 
1 1 1   27   23    0 o  258.067   10.428  233.028   18.626  209.288   22.659  282.488   32.706  243.312   13.509  281.186   16.884 -37.87379 21.62308 
1 1 1   27   23    1 o  139.496   17.661   70.515   16.669   67.341   20.570   76.585   28.448  134.265   22.961  140.013   30.241 -5.747879 37.97002 
1 1 1   27   23    2 o   55.553   22.579   5.4942   13.596   12.052   19.234  -1.0544   19.221   69.229   27.283   58.243   25.384 10.98620 37.26474 
1 1 1   27   23    3 o  116.522   17.923   49.792   13.991   51.220   19.706   48.341   19.867  115.314   25.380  111.664   26.163 3.649536 36.45060 
1 1 1   27   23    4 o   87.288   25.230   29.444   16.103   36.421   19.898   16.205   27.409   96.155   28.120   79.431   32.139 16.72360 42.70449 
1 1 1   27   23    5 o  123.869   16.833   56.319   14.057   69.515   20.475   44.553   19.334  134.948   22.730  105.861   26.461 29.08733 34.88305 
1 1 1   27   23    6 o  230.787   8.9803  187.054   14.344  182.511   20.785  191.185   19.821  225.613   13.371  231.480   12.417 -5.867340 18.24714 
1 1 1   27   23    7 o  140.941   14.866   72.698   14.283  113.659   26.568   56.048   16.939  170.654   23.087  120.301   21.114 50.35293 31.28610 
1 1 1   27   23    8 o   39.395   18.715 -14.0552   13.844   4.8063   24.178 -23.2561   16.887   64.747   28.337   40.352   19.551 24.39495 34.42707 
1 1 1   27   23    9 o   48.792   22.192  -4.5743   16.408   0.0000   0.0000  -4.5743   16.408  ?   ?    48.792   22.192 0.000000 22.19164 
1 1 1   27   23   10 o   67.712   26.469   17.668   17.978 -21.3463   24.496   63.220   26.469   50.168   24.117  112.822   32.270 -62.65448 40.28662 
1 1 1   27   23   11 o   87.928   22.770   33.788   13.966   47.454   23.325   26.151   17.438   95.658   30.913   75.181   26.698 20.47680 40.84587 
1 1 1   27   23   12 o   50.478   21.766   5.4356   13.832 -30.1902   23.596   24.087   17.073   44.221   21.777   70.790   26.231 -26.56900 34.09290 
1 1 1   27   23   13 o   45.833   20.474   1.9993   13.263   7.6000   21.541  -1.4202   16.831   56.261   25.526   47.368   21.886 8.892704 33.62435 
1 1 1   27   23   14 o   55.174   22.534   13.570   13.624   16.098   21.538   11.884   17.590   58.827   26.198   54.930   24.102 3.896969 35.59838 
1 1 1   27   23   15 o   31.584   15.484 -14.4312   11.507 -23.7792   15.673  -3.4989   16.950   34.012   16.924   43.181   20.568 -9.168262 26.63574 
1 1 1   27   25    0 o  166.192   13.133   98.091   14.983  110.491   20.721   84.503   21.691  174.840   17.353  151.017   21.348 23.82303 27.51051 
1 1 1   27   25    1 o  110.262   22.500   46.019   16.589   51.873   20.412   34.629   28.470  115.770   26.099   96.254   34.121 19.51643 42.95757 
1 1 1   27   25    2 o  185.446   11.552  121.476   14.753  116.004   20.758  127.060   20.972  179.130   16.945  187.829   16.294 -8.699799 23.50791 
1 1 1   27   25    3 o   88.141   25.331   30.123   16.274   36.654   19.192   13.410   30.702   96.440   27.442   79.995   33.358 16.44501 43.19526 
1 1 1   27   25    4 o   85.135   22.686   28.040   13.609   31.738   19.358   24.426   19.136   89.703   28.066   80.943   28.026 8.760071 39.66306 
1 1 1   27   25    5 o  100.661   19.932   38.606   13.395   27.746   19.705   47.936   18.264   84.258   28.458  110.149   24.580 -25.89150 37.60421 
1 1 1   27   25    6 o   31.269   15.457 -25.8366   12.280 -18.4658   18.077 -32.1527   16.734   44.853   21.330   37.154   18.305 7.699223 28.10766 
1 1 1   27   25    7 o   42.259   19.562  -8.5072   13.540   5.4098   23.377 -15.5335   16.610   64.845   28.128   43.564   20.637 21.28139 34.88673 
1 1 1   27   25    8 o   84.396   25.992   30.137   16.677   0.0000   0.0000   30.137   16.677  ?   ?    84.396   25.992 0.000000 25.99247 
1 1 1   27   25    9 o   59.985   23.254   12.197   13.787  -4.5824   23.821   20.648   16.906   57.325   26.323   71.307   26.158 -13.98243 37.10963 
1 1 1   27   25   10 o  135.074   15.919   69.940   14.596   48.318   18.726  103.415   23.300  103.565   26.126  158.256   21.856 -54.69061 34.06248 
1 1 1   27   25   11 o   35.807   17.095 -11.5344   11.850  -6.8992   17.733 -15.2748   15.930   47.237   22.043   40.613   19.504 6.624638 29.43284 
1 1 1   27   25   12 o   65.010   22.278   19.056   12.077   20.483   16.939   17.580   17.225   66.166   25.740   63.292   25.524 2.874142 36.24953 
1 1 1   27   25   13 o   54.508   21.753   12.215   12.371   44.863   17.105 -23.5951   17.914   93.311   25.678   38.479   18.954 54.83250 31.91578 
1 1 1   27   25   14 o   53.572   23.087   11.910   15.544   1.9059   21.640   22.576   22.343   50.511   23.816   62.092   27.206 -11.58117 36.15697 
1 1 1   27   25   15 o   42.183   19.341   2.0513   12.793   22.293   19.873 -12.2704   16.717   58.396   25.620   38.729   18.918 19.66771 31.84820 
1 1 1   27   27    0 o  107.553   19.893   43.332   14.263   55.699   20.489   31.703   19.867  119.760   25.500   90.318   28.461 29.44238 38.21363 
1 1 1   27   27    1 o   67.061   27.633   8.6824   20.715   8.6824   20.715   0.0000   0.0000   67.061   27.633  ?   ?  0.000000 27.63253 
1 1 1   27   27    2 o   71.478   26.051   17.229   16.729   6.9294   20.348   38.707   29.385   65.027   27.140   98.726   34.698 -33.69862 44.05201 
1 1 1   27   27    3 o   79.613   23.795   24.447   14.122   37.873   19.743   10.383   20.207   97.139   27.896   67.464   27.486 29.67507 39.16201 
1 1 1   27   27    4 o  256.187   8.8022  230.250   15.607  238.684   22.632  222.603   21.551  258.984   12.626  250.206   12.445 8.778107 17.72868 
1 1 1   27   27    5 f  106.809   18.733   43.214   13.344   18.847   19.552   64.458   18.256   73.809   27.921  129.621   21.073 -55.81212 34.98137 
1 1 1   27   27    6 o   64.589   22.625   15.247   12.489   17.737   18.606   13.205   16.848   71.356   27.179   65.387   25.606 5.969330 37.34131 
1 1 1   27   27    7 o   66.349   23.785   16.412   13.871   15.746   24.267   16.735   16.905   72.261   29.855   68.442   25.946 3.818901 39.55367 
1 1 1   27   27    8 o  104.769   23.941   45.816   16.980   0.0000   0.0000   45.816   16.980  ?   ?   104.769   23.941 0.000000 23.94082 
1 1 1   27   27    9 f   68.528   23.475   19.380   13.409   19.190   22.392   19.486   16.743   71.117   28.949   69.324   25.919 1.793503 38.85702 
1 1 1   27   27   10 o   49.996   20.795   5.9698   11.887  -7.7843   16.963   19.242   16.663   46.275   21.582   67.665   25.733 -21.38994 33.58524 
1 1 1   27   27   11 o   53.692   21.622   9.7120   12.343   13.654   17.738   6.0119   17.185   61.003   25.390   54.423   23.852 6.579590 34.83667 
1 1 1   27   27   12 o   50.793   20.717   8.7021   11.496   15.895   15.641   0.2505   16.955   60.570   24.359   48.929   22.372 11.64087 33.07308 
1 1 1   27   27   13 o   51.757   21.765   9.7206   13.238  -0.5710   15.995   32.098   23.585   46.145   21.326   70.992   29.390 -24.84706 36.31196 
1 1 1   27   27   14 o   79.110   21.022   30.675   11.706   19.984   16.684   41.044   16.430   59.932   24.757   84.545   25.756 -24.61331 35.72542 
1 1 1   27   27   15 o   36.330   17.220  -4.1740   11.597  -5.0967   15.920  -3.1310   16.926   40.386   19.422   42.094   20.186 -1.708008 28.01227 
1 1 1   27   29    0 o  160.569   16.276   93.803   17.838   83.355   21.238  118.829   32.868  148.790   21.225  173.076   28.426 -24.28603 35.47560 
1 1 1   27   29    1 o  148.653   20.893   83.115   20.902   83.115   20.902   0.0000   0.0000  148.653   20.893  ?   ?  0.000000 20.89291 
1 1 1   27   29    2 o  183.169   13.588  120.362   17.103  137.804   21.309   88.780   28.673  194.794   15.945  148.166   28.999 46.62866 33.09401 
1 1 1   27   29    3 o  149.665   13.976   80.912   14.310   74.831   20.249   86.979   20.225  139.964   21.598  152.245   19.653 -12.28055 29.20103 
1 1 1   27   29    4 o  232.516   9.4971  190.487   15.283  186.865   21.745  194.023   21.485  227.638   13.868  232.265   13.422 -4.627014 19.29997 
1 1 1   27   29    5 o  228.386   9.4546  184.110   14.945  160.269   21.599  206.008   20.700  209.551   14.991  239.528   12.530 -29.97726 19.53822 
1 1 1   27   29    6 o  105.405   18.515   42.665   13.014   17.453   19.278   63.779   17.641   70.837   27.487  127.978   20.617 -57.14169 34.35986 
1 1 1   27   29    7 o   98.366   24.758   40.681   16.843   0.0000   0.0000   40.681   16.843  ?   ?    98.366   24.758 0.000000 24.75821 
1 1 1   27   29    8 o   65.263   23.390   16.676   13.414   8.0341   22.140   21.689   16.861   63.153   27.384   72.392   26.189 -9.239426 37.89110 
1 1 1   27   29    9 f   32.757   15.994 -18.5883   11.910 -17.5513   16.875 -19.6175   16.812   41.633   20.015   40.653   19.649 0.9800568 28.04803 
1 1 1   27   29   10 o   47.457   20.295   3.8899   11.842  -0.8818   17.167   8.2224   16.358   50.231   22.789   56.161   23.931 -5.929825 33.04590 
1 1 1   27   29   11 o   74.441   22.161   25.117   12.267   16.592   16.922   34.557   17.808   62.643   25.286   82.452   27.033 -19.80936 37.01583 
1 1 1   27   29   12 o   98.356   20.514   42.957   13.512   44.485   16.415   39.746   23.799   94.948   24.732   79.623   30.639 15.32504 39.37579 
1 1 1   27   29   13 o   41.717   18.873   0.5675   11.675  -4.4654   15.505   7.1572   17.741   42.939   20.219   51.779   23.359 -8.840080 30.89469 
1 1 1   27   29   14 o   44.439   19.452   5.5701   11.397   25.365   15.884 -15.4352   16.362   64.576   24.980   37.720   18.487 26.85615 31.07705 
1 1 1   27   31    0 o  157.699   16.628   91.278   17.876   82.675   21.831  108.781   31.138  146.865   22.167  164.077   28.452 -17.21194 36.06779 
1 1 1   27   31    1 f  140.038   15.341   71.583   14.626   63.155   20.746   79.912   20.623  126.527   24.576  144.836   21.201 -18.30866 32.45716 
1 1 1   27   31    2 o   51.684   22.732  -1.0514   15.730 -11.6354   19.341   19.624   27.033   50.346   23.332   79.318   31.979 -28.97147 39.58598 
1 1 1   27   31    3 o  204.924   10.418  148.972   14.727  142.452   20.425  156.032   21.255  197.784   15.034  207.112   14.928 -9.327759 21.18595 
1 1 1   27   31    4 o  174.881   11.994  109.739   14.430   98.827   20.665  120.123   20.158  161.821   18.802  180.346   16.327 -18.52496 24.90128 
1 1 1   27   31    5 o  207.115   10.352  152.416   14.839  158.030   21.357  147.177   20.632  207.521   14.970  200.215   14.998 7.305984 21.19084 
1 1 1   27   31    6 o  165.522   14.132  100.695   16.034  112.683   30.664   96.183   18.811  162.184   28.350  159.464   17.322 2.720062 33.22299 
1 1 1   27   31    7 o  132.868   15.491   66.394   13.978   71.854   23.806   63.521   17.268  127.986   27.680  126.395   20.437 1.591133 34.40698 
1 1 1   27   31    8 o   60.745   23.152   13.479   13.507  -5.3415   21.968   24.919   17.127   54.312   25.063   75.459   26.492 -21.14690 36.46883 
1 1 1   27   31    9 o   29.038   14.475 -26.5893   11.686 -32.9311   17.229 -21.1863   15.903   36.257   17.991   38.348   18.671 -2.091152 25.92781 
1 1 1   27   31   10 f   41.141   18.705  -2.6111   11.645   10.354   16.502 -15.4698   16.434   57.479   24.243   41.012   19.725 16.46703 31.25359 
1 1 1   27   31   11 o   61.919   23.076   17.168   13.250   18.568   15.945   14.044   23.817   63.648   24.915   62.151   27.622 1.496132 37.19812 
1 1 1   27   31   12 o   54.987   21.502   12.917   11.867   17.487   15.685   6.8008   18.146   60.636   24.390   52.859   23.756 7.776928 34.04750 
1 1 1   27   31   13 o   35.529   17.020  -8.9417   11.960   4.5172   16.736 -22.9888   17.098   48.727   22.259   36.691   18.156 12.03583 28.72419 
1 1 1   27   31   14 o   38.372   17.901  -1.8018   11.681   8.8012   16.252 -13.1332   16.801   49.011   22.211   38.498   18.840 10.51315 29.12508 
1 1 1   27   33    0 o   78.958   24.461   24.743   14.746   21.684   20.912   27.768   20.796   77.107   28.940   83.420   29.198 -6.313744 41.10971 
1 1 1   27   33    1 o   46.523   20.935  -4.2084   14.143 -22.2984   19.997   13.897   20.006   46.008   22.031   68.991   27.618 -22.98309 35.32869 
1 1 1   27   33    2 o   60.050   24.286   9.0123   15.643 -13.7705   18.947   57.805   27.727   48.277   22.611  113.633   33.183 -65.35629 40.15473 
1 1 1   27   33    3 o   70.317   23.887   19.023   13.883   32.100   19.673   6.0500   19.595   87.462   28.401   61.495   26.198 25.96653 38.63877 
1 1 1   27   33    4 o   57.220   22.981   8.6381   13.901  -9.6573   19.942   25.933   19.389   51.387   23.771   79.719   28.169 -28.33123 36.85845 
1 1 1   27   33    5 o  101.548   23.244   42.271   15.983   14.751   29.056   54.212   19.139   73.910   31.704  114.110   24.931 -40.20013 40.33229 
1 1 1   27   33    6 o   40.195   18.561  -6.7145   12.079 -23.6799   17.124   10.090   17.042   40.094   19.487   60.841   25.066 -20.74659 31.74974 
1 1 1   27   33    7 f   48.022   21.154   0.5604   13.670  -8.9463   23.241   5.5883   16.902   54.123   25.249   56.127   24.131 -2.004192 34.92567 
1 1 1   27   33    8 o   45.557   20.309  -0.6140   12.977  -7.1902   21.487   3.1618   16.281   52.260   24.345   52.803   23.177 -0.5426102 33.61378 
1 1 1   27   33    9 o   46.527   20.079   3.0788   11.791   22.799   16.876 -15.7254   16.480   70.719   26.104   41.223   19.808 29.49521 32.76898 
1 1 1   27   33   10 o   46.255   20.781   0.4102   13.872  -6.8883   16.319   19.420   26.337   44.696   20.950   67.267   29.504 -22.57064 36.18524 
1 1 1   27   33   11 o   42.990   19.182   1.0026   11.606   12.358   15.721 -12.6002   17.206   56.658   23.767   42.126   20.242 14.53215 31.21839 
1 1 1   27   33   12 o   38.587   18.012  -4.3068   11.855  -1.3588   15.901  -7.9958   17.788   45.308   21.052   43.795   20.919 1.513027 29.67810 
1 1 1   27   33   13 o   74.393   21.944   28.439   12.072   19.807   16.480   38.431   17.732   59.408   24.579   78.109   26.982 -18.70091 36.49826 
1 1 1   27   33   14 o   54.598   21.459   16.544   11.869   13.712   16.656   19.467   16.918   51.273   22.921   55.545   24.011 -4.272038 33.19530 
1 1 1   27   35    0 o  172.487   18.948  112.733   22.248   0.0000   0.0000  112.733   22.248  ?   ?   172.487   18.948 0.000000 18.94827 
1 1 1   27   35    1 o   54.604   24.065   0.0346   17.713   7.3561   31.380  -3.3892   21.459   72.559   32.002   57.079   25.726 15.48004 41.06047 
1 1 1   27   35    2 f   48.936   21.562  -0.6771   14.211 -18.8076   19.870   18.304   20.331   46.858   22.306   72.278   28.177 -25.41922 35.93803 
1 1 1   27   35    3 o   44.721   20.855 -10.4757   15.835   17.259   19.897 -58.3902   26.152   70.643   27.777   42.806   21.387 27.83679 35.05709 
1 1 1   27   35    4 o  107.009   22.928   46.751   16.470   64.195   29.909   39.159   19.731  114.702   34.708   94.340   28.111 20.36160 44.66371 
1 1 1   27   35    5 o  161.587   12.583   95.292   13.961   80.065   19.035  113.022   20.540  142.792   19.793  172.075   17.490 -29.28369 26.41277 
1 1 1   27   35    6 o  116.823   16.156   52.147   12.713   51.452   17.837   52.864   18.124  110.030   24.090  111.495   24.183 -1.464745 34.13432 
1 1 1   27   35    7 o   56.032   23.628   7.6182   15.671   10.912   21.679   4.0132   22.679   63.500   27.316   59.752   26.727 3.747417 38.21602 
1 1 1   27   35    8 o   90.643   21.900   35.388   13.585   33.932   21.821   36.310   17.361   82.015   29.774   87.748   26.419 -5.733200 39.80465 
1 1 1   27   35    9 o   50.315   20.919   6.9906   12.023 -17.6030   16.847   32.517   17.163   40.564   19.622   81.265   26.535 -40.70102 33.00202 
1 1 1   27   35   10 o   52.430   21.191   9.7808   11.903   27.711   16.305 -10.6746   17.416   73.954   25.855   43.650   20.808 30.30443 33.18814 
1 1 1   27   35   11 f   49.174   20.796   7.5104   12.195  -3.2344   16.724   19.710   17.820   45.663   21.341   62.856   25.733 -17.19252 33.43069 
1 1 1   27   35   12 o   32.520   15.774 -12.1056   11.071  -2.0349   15.447 -22.7412   15.875   43.865   20.504   35.349   17.492 8.516010 26.95153 
1 1 1   27   35   13 o   52.907   21.727   13.925   12.754 -12.0976   19.322   34.016   16.977   41.445   20.265   72.110   26.249 -30.66535 33.16182 
1 1 1   27   37    0 o  162.794   14.322   97.404   15.973   79.491   22.610  115.250   22.568  139.712   24.263  173.388   19.124 -33.67593 30.89358 
1 1 1   27   37    1 o   46.409   21.279  -6.6200   15.488 -29.0939   20.882   20.861   23.091   43.972   21.406   75.303   29.824 -31.33123 36.71064 
1 1 1   27   37    2 o   64.365   25.699   13.051   17.274   37.366   30.905   2.0042   20.832   90.159   34.854   58.901   26.021 31.25718 43.49573 
1 1 1   27   37    3 o   86.813   29.052   33.541   20.533   43.088   30.223   25.356   27.984   94.044   34.890   79.818   32.412 14.22579 47.62160 
1 1 1   27   37    4 o  176.054   12.020  112.661   14.558  114.341   20.165  110.832   21.040  173.304   17.032  169.520   18.218 3.783127 24.93979 
1 1 1   27   37    5 o  122.933   16.544   57.964   13.719   41.274   18.967   76.279   19.868   95.459   27.321  136.813   21.707 -41.35392 34.89488 
1 1 1   27   37    6 o   83.251   23.718   30.219   14.327   15.893   23.554   38.632   18.051   68.258   28.886   91.752   26.768 -23.49426 39.38177 
1 1 1   27   37    7 o  135.308   14.035   69.197   12.952   48.691   18.596   88.519   18.051  102.894   26.079  149.559   17.787 -46.66425 31.56742 
1 1 1   27   37    8 o   50.923   21.666   5.9953   13.370  -0.4672   21.308   10.192   17.172   54.144   24.875   57.900   24.592 -3.755783 34.97857 
1 1 1   27   37    9 o   73.061   22.574   24.604   12.568   23.685   17.473   25.590   18.090   69.501   26.371   71.376   26.891 -1.875664 37.66374 
1 1 1   27   37   10 o   46.613   20.155   4.7206   11.927  -0.1449   16.296   10.334   17.503   47.502   21.797   55.689   24.248 -8.186340 32.60492 
1 1 1   27   37   11 o   47.162   20.333   6.1634   12.068 -15.1222   16.205   32.666   18.082   38.928   18.929   74.564   27.098 -35.63671 33.05434 
1 1 1   27   37   12 o   58.677   23.135   18.253   13.837   29.580   24.080   12.668   16.907   64.569   28.268   53.604   23.572 10.96516 36.80665 
1 1 1   27   37   13 o   57.205   21.544   18.221   11.609   25.497   16.460   11.019   16.375   61.538   24.904   49.700   22.430 11.83775 33.51551 
1 1 1   27   39    0 o  243.562   8.3833  209.693   14.132  223.610   31.309  206.132   15.837  240.854   18.935  240.765   9.5039 0.8900452E-01 21.18595 
1 1 1   27   39    1 o  101.821   25.376   44.406   17.819   94.488   31.898   21.688   21.483  141.117   33.212   74.255   28.960 66.86206 44.06509 
1 1 1   27   39    2 o   97.363   25.982   41.297   17.833 -19.7024   31.493   70.089   21.637   58.493   27.910  128.642   25.203 -70.14937 37.60522 
1 1 1   27   39    3 o   57.252   26.646  -8.0634   25.645   0.0000   0.0000  -8.0634   25.645  ?   ?    57.252   26.646 0.000000 26.64610 
1 1 1   27   39    4 o   62.114   23.043   14.678   13.183   28.418   17.764  -2.1653   19.668   79.682   27.020   53.630   24.355 26.05241 36.37674 
1 1 1   27   39    5 o  141.566   14.068   75.212   13.601   84.793   19.165   65.490   19.306  145.444   19.532  124.120   23.330 21.32357 30.42700 
1 1 1   27   39    6 o   97.509   21.933   40.614   14.444   40.069   17.871   41.639   24.529   92.517   26.532   88.805   31.650 3.712158 41.30012 
1 1 1   27   39    7 o   37.427   17.711  -9.5687   12.170 -28.0969   17.547   7.6047   16.893   37.875   18.677   55.721   24.041 -17.84629 30.44291 
1 1 1   27   39    8 o   47.638   21.920  -2.4050   16.633 -29.0732   23.017   26.741   24.063   43.759   21.542   71.979   29.733 -28.21968 36.71660 
1 1 1   27   39    9 o   78.433   26.618   32.448   17.240   32.448   17.240   0.0000   0.0000   78.433   26.618  ?   ?  0.000000 26.61845 
1 1 1   27   39   10 o  105.005   18.360   47.425   12.857   63.925   17.575   28.425   18.859  116.645   22.585   70.490   27.233 46.15431 35.37959 
1 1 1   27   39   11 o   58.133   23.239   16.964   14.144  -8.3707   22.858   32.684   18.005   47.106   22.804   72.920   26.954 -25.81393 35.30662 
1 1 1   27   39   12 o   37.469   17.617  -3.4994   11.692  -9.1875   15.900   3.1979   17.252   39.376   19.052   46.506   21.715 -7.129658 28.88774 
1 1 1   27   41    0 o  132.240   15.772   66.349   14.150   0.0000   0.0000   66.349   14.150  ?   ?   132.240   15.772 0.000000 15.77197 
1 1 1   27   41    1 o   38.352   18.155 -11.3077   12.805   0.0000   0.0000 -11.3077   12.805  ?   ?    38.352   18.155 0.000000 18.15454 
1 1 1   27   41    2 o  151.992   21.034   93.516   21.534  103.659   29.221   81.463   31.855  150.896   29.034  124.636   35.316 26.26016 45.71883 
1 1 1   27   41    3 o   46.123   22.170 -19.4574   20.684   0.0000   0.0000 -19.4574   20.684  ?   ?    46.123   22.170 0.000000 22.17017 
1 1 1   27   41    4 o   62.317   24.163   14.731   14.889   13.507   18.568   16.937   24.920   63.185   26.111   69.068   29.486 -5.882786 39.38557 
1 1 1   27   41    5 o   76.065   23.877   25.868   13.998   57.691   19.341  -9.1359   20.285  113.086   25.339   49.436   23.231 63.65036 34.37659 
1 1 1   27   41    6 o   54.878   22.178   10.082   13.035   21.704   18.505  -1.3643   18.365   69.166   26.905   50.906   23.279 18.26029 35.57762 
1 1 1   27   41    7 o   50.624   22.214   4.3898   14.946  -5.5091   18.216   24.785   26.147   47.739   22.298   70.820   30.218 -23.08078 37.55443 
1 1 1   27   41    8 o   45.782   20.525   1.1980   13.456 -14.3610   22.618   9.7221   16.741   47.530   22.928   55.481   23.935 -7.951820 33.14459 
1 1 1   27   41    9 o   33.178   16.173 -15.3394   12.036  -5.3025   17.495 -24.3574   16.583   45.470   21.431   36.506   18.030 8.964268 28.00697 
1 1 1   27   41   10 o   90.255   23.406   40.982   14.744   13.766   25.854   54.098   17.949   58.354   27.019  101.044   25.627 -42.68999 37.23954 
1 1 1   27   41   11 o   50.997   20.788   11.635   11.568   4.9487   15.997   18.963   16.747   47.525   21.730   58.308   24.498 -10.78288 32.74694 
1 1 1   27   43    0 o  132.270   14.468   66.012   13.029   43.937   25.958   73.447   15.064   91.895   32.580  138.326   16.032 -46.43108 36.31091 
1 1 1   27   43    1 o   86.277   20.681   31.011   12.189   7.0537   27.462   36.888   13.602   64.750   29.151   93.758   21.429 -29.00729 36.17948 
1 1 1   27   43    2 o   49.676   20.725   5.5974   11.859 -31.0293   25.478   15.728   13.399   47.361   23.182   62.788   23.244 -15.42666 32.82796 
1 1 1   27   43    3 o   67.886   21.805   19.619   11.619   13.776   26.335   21.031   12.948   67.013   29.445   69.674   23.061 -2.661133 37.40066 
1 1 1   27   43    4 o   36.694   18.032 -24.9549   15.901 -43.6182   19.772   9.2098   26.752   36.669   18.362   63.898   28.769 -27.22896 34.12915 
1 1 1   27   43    5 o   39.449   18.675  -9.9659   13.556   11.990   18.449 -35.7306   19.985   60.145   25.515   38.751   19.253 21.39438 31.96370 
1 1 1   27   43    6 o   85.326   24.941   34.916   15.657   43.676   19.606   19.498   26.012   91.776   28.168   67.306   29.426 24.47073 40.73484 
1 1 1   27   43    7 o   56.791   22.463   13.063   13.083  -7.7342   18.571   33.555   18.435   46.314   21.905   79.224   27.503 -32.90974 35.16057 
1 1 1   27   43    8 o   41.999   19.641  -4.9374   14.202 -29.3561   24.228   7.8449   17.529   43.595   21.579   53.602   23.765 -10.00662 32.10039 
1 1 1   27   43    9 o   44.397   20.919  -4.3150   16.646   0.0000   0.0000  -4.3150   16.646  ?   ?    44.397   20.919 0.000000 20.91913 
1 1 1   27   43   10 o   44.368   20.928  -2.4064   16.744   0.0000   0.0000  -2.4064   16.744  ?   ?    44.368   20.928 0.000000 20.92819 
1 1 1   27   43   11 o   35.850   17.088  -5.9103   11.738 -20.5975   16.399   9.5169   16.807   35.457   17.586   49.554   22.508 -14.09675 28.56380 
1 1 1   27   45    0 o   67.971   24.974   20.060   15.419   8.9171   23.099   29.014   20.707   61.899   27.370   77.375   28.845 -15.47578 39.76402 
1 1 1   27   45    1 f   55.556   21.554   11.065   11.852   36.756   25.524   4.0028   13.383   83.079   31.788   49.557   21.389 33.52192 38.31411 
1 1 1   27   45    2 o  144.332   12.779   77.895   12.634  104.098   27.579   70.935   14.213  148.813   27.799  135.439   15.438 13.37436 31.79769 
1 1 1   27   45    3 o   41.096   18.624  -2.3133   11.425   20.478   26.438  -7.5465   12.669   69.597   30.051   39.488   18.493 30.10854 35.28546 
1 1 1   27   45    4 o   61.760   28.204   7.7512   26.844   0.0000   0.0000   7.7512   26.844  ?   ?    61.760   28.204 0.000000 28.20361 
1 1 1   27   45    5 o   46.942   20.800   2.1561   13.409   4.1268   24.619   1.3249   15.988   57.835   26.632   49.220   22.193 8.614670 34.66703 
1 1 1   27   45    6 o   32.705   16.082 -19.9392   12.711 -28.6896   18.819 -12.5969   17.238   38.524   19.060   42.460   20.365 -3.936081 27.89258 
1 1 1   27   45    7 o  121.100   16.032   59.583   13.107   51.003   19.122   67.186   18.001   97.870   27.233  120.903   22.335 -23.03276 35.22098 
1 1 1   27   45    8 o   68.800   24.401   24.939   14.562   12.093   25.577   31.101   17.713   58.340   26.964   73.476   26.802 -15.13652 38.01847 
1 1 1   27   45    9 o   46.174   20.037   6.1304   11.873  -4.1209   18.168   13.772   15.685   45.034   21.407   54.922   23.419 -9.887196 31.72841 
1 1 1   27   45   10 o   56.764   21.767   17.041   11.985   22.828   16.742   10.960   17.164   60.726   24.911   51.248   23.061 9.477783 33.94645 
1 1 1   27   47    0 o   43.510   19.126   1.2038   11.123  -1.4702   23.297   1.9933   12.659   55.124   25.568   46.360   20.391 8.763317 32.70345 
1 1 1   27   47    1 o   53.989   21.270   10.443   11.687   16.322   22.275   8.2097   13.729   64.907   27.798   53.177   22.252 11.73046 35.60749 
1 1 1   27   47    2 o   35.659   16.936  -9.6093   11.326 -33.7512   24.776  -3.2319   12.734   44.484   21.983   42.185   19.325 2.298733 29.26951 
1 1 1   27   47    3 o   43.511   19.359   0.6047   11.730 -20.9902   25.682   6.2975   13.186   48.797   23.751   50.397   21.481 -1.599636 32.02388 
1 1 1   27   47    4 o   56.491   22.235   12.724   12.760 -14.1707   25.790   21.442   14.684   50.677   24.455   67.220   24.421 -16.54346 34.56039 
1 1 1   27   47    5 o   34.288   16.581 -13.4785   12.005  -5.6537   25.467 -15.7139   13.612   52.871   25.192   35.883   17.425 16.98871 30.63120 
1 1 1   27   47    6 o   32.626   15.726 -11.3451   10.586 -29.8293   24.907  -7.2697   11.695   44.016   21.804   36.911   17.435 7.105236 27.91757 
1 1 1   27   47    7 o   35.679   16.812  -6.1974   10.754 -33.9415   26.726  -0.8380   11.747   43.829   21.855   40.946   18.682 2.882839 28.75163 
1 1 1   27   47    8 o   47.975   21.230   6.2743   13.923  -7.7171   23.440   13.902   17.307   47.664   23.079   55.526   24.144 -7.862450 33.40035 
1 1 1   27   47    9 o   34.164   16.772 -15.8028   13.643   3.6956   24.965 -24.1054   16.291   50.823   24.410   34.677   17.254 16.14625 29.89244 
1 1 1   27   49    0 o   93.423   18.001   36.230   11.217   52.683   23.874   31.569   12.707   95.366   31.303   83.715   21.738 11.65136 38.11072 
1 1 1   27   49    1 o   62.297   24.105   17.234   14.794   42.580   22.350  -2.5331   19.737   86.155   30.262   50.366   23.419 35.78996 38.26564 
1 1 1   27   49    2 o   40.265   18.446  -2.8343   11.604  -9.1171   24.375  -0.9931   13.195   51.196   24.463   43.909   19.944 7.287029 31.56264 
1 1 1   27   49    3 o   48.035   21.020   4.3503   13.301   9.5610   25.176   2.3326   15.666   59.568   27.245   48.869   22.008 10.69851 35.02345 
1 1 1   27   49    4 o   47.798   20.032   6.6945   11.152   37.176   25.719  -0.3635   12.376   76.111   31.008   42.809   19.393 33.30212 36.57350 
1 1 1   27   49    5 o   88.263   19.487   34.513   11.586 -27.5902   26.663   48.969   12.864   45.817   22.671  107.358   17.946 -61.54110 28.91461 
1 1 1   27   49    6 o   67.554   21.423   22.098   11.243   21.122   26.269   22.317   12.440   62.638   28.326   66.724   22.611 -4.085972 36.24408 
1 1 1   27   49    7 o   35.949   17.209  -8.7047   12.182   0.0000   0.0000  -8.7047   12.182  ?   ?    35.949   17.209 0.000000 17.20920 
1 1 1   27   49    8 o  102.784   16.312   45.655   11.217   43.195   26.932   46.171   12.337   69.935   30.264  100.796   18.361 -30.86098 35.39814 
1 1 1   27   51    0 o   51.827   20.496   10.222   10.890   27.834   22.981   5.1212   12.367   70.246   29.040   47.535   20.539 22.71107 35.56942 
1 1 1   27   51    1 o   72.526   21.210   24.293   11.321   38.620   22.073   19.179   13.187   79.959   29.787   63.603   23.137 16.35659 37.71704 
1 1 1   27   51    2 o   35.939   17.495 -16.1878   13.946   19.278   24.008 -34.2483   17.133   63.558   28.014   34.377   17.196 29.18021 32.87061 
1 1 1   27   51    3 o   79.073   21.019   28.995   11.701  -7.3415   25.640   38.552   13.150   51.188   24.624   91.620   21.164 -40.43211 32.46885 
1 1 1   27   51    4 o   72.027   21.103   24.616   11.198   9.7854   26.343   27.886   12.371   57.665   26.894   75.633   22.188 -17.96808 34.86537 
1 1 1   27   51    5 o   51.125   21.220   10.274   12.341   32.795   26.095   3.7860   14.006   68.587   29.735   46.542   20.898 22.04433 36.34378 
1 1 1   27   51    6 o   31.911   15.884 -24.1220   13.863   0.0000   0.0000 -24.1220   13.863  ?   ?    31.911   15.884 0.000000 15.88425 
1 1 1   27   51    7 o   63.888   21.747   21.714   11.507   40.015   26.615   17.506   12.762   67.780   29.696   57.229   22.321 10.55119 37.14877 
1 1 1   27   53    0 o   67.510   21.520   21.867   11.334  -9.2098   23.556   31.228   12.929   48.601   23.433   80.116   22.428 -31.51558 32.43678 
1 1 1   27   53    1 o   77.145   23.089   29.782   13.290   29.176   23.094   30.083   16.250   68.632   28.799   73.815   25.811 -5.183769 38.67264 
1 1 1   27   53    2 o   54.311   22.920   12.083   14.763   1.1000   22.631   20.221   19.479   51.667   24.359   61.954   26.246 -10.28721 35.80801 
1 1 1   27   53    3 o   59.403   21.479   17.075   11.340 -39.4537   24.464   32.546   12.798   40.237   20.187   81.272   22.148 -41.03494 29.96750 
1 1 1   27   53    4 o   51.567   20.709   11.520   11.288   17.824   26.141   10.076   12.515   59.048   27.280   50.441   21.185 8.606842 34.53986 
1 1 1   27   53    5 o   48.870   20.734   9.3581   12.185   0.0000   0.0000   9.3581   12.185  ?   ?    48.870   20.734 0.000000 20.73358 
1 1 1   27   55    0 o   48.529   21.236   7.3258   13.575   6.9707   23.072   7.5139   16.789   53.273   24.952   50.615   22.789 2.658474 33.79237 
1 1 1   27   55    1 f   37.301   18.032 -11.4061   14.170   25.093   23.624 -31.9190   17.710   62.852   27.741   34.732   17.389 28.12075 32.74099 
1 1 1   27   55    2 o   77.638   21.432   30.030   11.894   27.922   25.241   30.632   13.485   63.547   28.326   75.572   23.389 -12.02495 36.73437 
1 1 1   27   55    3 o   75.027   21.969   29.113   12.138   36.049   27.916   27.496   13.479   65.997   29.577   70.303   23.538 -4.305916 37.79991 
1 1 1   28    0    0 f  299.403   11.054  311.758   22.836  311.758   22.836  311.758   22.836  299.403   11.054  299.403   11.054 0.000000 0.000000 
1 1 1   28    0    1 o  190.243   15.801  128.048   20.475  128.048   20.475  128.048   20.475  190.243   15.801  190.243   15.801 0.000000 0.000000 
1 1 1   28    0    2 o  402.879   13.516  564.390   37.591  564.390   37.591  564.390   37.591  402.879   13.516  402.879   13.516 0.000000 0.000000 
1 1 1   28    0    3 o  159.581   27.725   96.195   27.852   96.195   27.852   96.195   27.852  159.581   27.725  159.581   27.725 0.000000 0.000000 
1 1 1   28    0    4 o  372.614   14.047  483.415   36.109  483.415   36.109  483.415   36.109  372.614   14.047  372.614   14.047 0.000000 0.000000 
1 1 1   28    0    5 o  180.159   16.620  115.494   20.318  115.494   20.318  115.494   20.318  180.159   16.620  180.159   16.620 0.000000 0.000000 
1 1 1   28    0    6 o   33.415   23.117 -14.7506   18.249 -14.7506   18.249 -14.7506   18.249   33.415   23.117   33.415   23.117 0.000000 0.000000 
1 1 1   28    0    7 o   31.635   22.245 -20.9382   18.906 -20.9382   18.906 -20.9382   18.906   31.635   22.245   31.635   22.245 0.000000 0.000000 
1 1 1   28    0    8 o  129.384   25.015   64.698   19.989   64.698   19.989   64.698   19.989  129.384   25.015  129.384   25.015 0.000000 0.000000 
1 1 1   28    0    9 o   99.311   29.917   42.969   17.929   42.969   17.929   42.969   17.929   99.311   29.917   99.311   29.917 0.000000 0.000000 
1 1 1   28    0   10 f   57.236   31.628   16.546   18.292   16.546   18.292   16.546   18.292   57.236   31.628   57.236   31.628 0.000000 0.000000 
1 1 1   28    0   11 o   48.761   29.065   9.8438   17.265   9.8438   17.265   9.8438   17.265   48.761   29.065   48.761   29.065 0.000000 0.000000 
1 1 1   28    0   12 f   80.658   32.817   33.097   17.983   33.097   17.983   33.097   17.983   80.658   32.817   80.658   32.817 0.000000 0.000000 
1 1 1   28    0   13 o   34.686   23.604  -7.9079   17.310  -7.9079   17.310  -7.9079   17.310   34.686   23.604   34.686   23.604 0.000000 0.000000 
1 1 1   28    0   14 o   77.011   38.445   36.146   24.958   36.146   24.958   36.146   24.958   77.011   38.445   77.011   38.445 0.000000 0.000000 
1 1 1   28    0   15 o   70.593   32.406   29.027   17.324   29.027   17.324   29.027   17.324   70.593   32.406   70.593   32.406 0.000000 0.000000 
1 1 1   28    0   16 o   33.934   24.021 -20.0585   23.264 -20.0585   23.264 -20.0585   23.264   33.934   24.021   33.934   24.021 0.000000 0.000000 
1 1 1   28    0   17 o   51.277   29.489   18.746   16.743   18.746   16.743   18.746   16.743   51.277   29.489   51.277   29.489 0.000000 0.000000 
1 1 1   28    2    0 f  117.942   17.330   50.228   13.725   51.837   19.437   48.627   19.383  117.656   24.658  113.707   25.283 3.948456 35.31684 
1 1 1   28    2    1 o   84.569   24.768   26.516   15.427   1.6463   19.060   73.756   26.269   60.682   25.844  139.524   28.174 -78.84196 38.23160 
1 1 1   28    2    2 o  155.425   15.332   85.991   16.278   81.706   20.234   93.854   27.407  150.021   19.984  158.659   25.849 -8.638504 32.67316 
1 1 1   28    2    3 o  257.965   12.370  233.383   22.085  229.805   32.539  236.439   30.072  253.207   18.700  257.636   16.960 -4.429642 25.24502 
1 1 1   28    2    4 o  158.583   19.002   91.194   20.441   91.194   20.441   0.0000   0.0000  158.583   19.002  ?   ?  0.000000 19.00186 
1 1 1   28    2    5 o  100.935   23.038   38.632   15.740   23.632   19.987   63.122   25.538   81.897   28.626  126.883   29.620 -44.98612 41.19210 
1 1 1   28    2    6 o   62.316   24.156   10.405   14.877   28.575   19.080 -17.7707   23.760   86.649   27.954   54.727   25.530 31.92199 37.85802 
1 1 1   28    2    7 o   69.953   23.786   17.766   13.766   16.718   19.809   18.745   19.145   72.938   27.981   74.527   27.745 -1.588753 39.40480 
1 1 1   28    2    8 o   51.000   21.469   3.2547   12.903   18.901   19.079  -9.9308   17.515   73.473   27.630   48.424   22.357 25.04902 35.54196 
1 1 1   28    2    9 o   86.298   21.542   29.824   12.826   25.832   18.301   33.679   17.982   79.428   27.413   89.215   26.893 -9.786926 38.40191 
1 1 1   28    2   10 o   69.007   23.062   19.264   12.939   24.550   17.891   13.468   18.734   76.255   27.046   65.171   26.498 11.08429 37.86367 
1 1 1   28    2   11 o   54.905   21.999   9.3418   12.706   27.143   17.592 -10.0692   18.371   77.393   26.867   47.248   22.173 30.14426 34.83510 
1 1 1   28    2   12 o   57.649   22.405   12.639   12.823   6.8067   18.358   18.196   17.920   56.264   24.656   65.578   26.178 -9.313965 35.96116 
1 1 1   28    2   13 o   35.167   17.219 -19.4619   14.093 -10.9074   17.346 -36.0780   24.175   43.389   20.706   42.482   21.119 0.9065590 29.57593 
1 1 1   28    2   14 o   59.136   22.430   16.673   12.639   21.583   17.789   11.667   17.960   63.583   25.833   55.425   24.335 8.158016 35.49052 
1 1 1   28    2   15 o   38.432   18.361  -7.0325   13.719  -7.8732   24.525  -6.6496   16.551   47.181   23.018   41.693   19.985 5.487972 30.48375 
1 1 1   28    2   16 o   63.200   23.566   25.248   13.823   24.932   17.246   25.815   23.116   59.532   24.928   57.302   26.170 2.229794 36.14227 
1 1 1   28    2   17 o   38.273   18.225   0.3143   13.285   8.6488   24.457  -3.1741   15.823   45.338   22.297   38.368   18.667 6.970757 29.07992 
1 1 1   28    4    0 o   47.275   20.962  -3.9469   13.641   4.6666   19.206 -12.7152   19.378   63.350   26.398   51.564   23.701 11.78626 35.47672 
1 1 1   28    4    1 o  142.787   16.751   73.052   16.240   68.426   20.177   81.561   27.363  136.427   22.127  146.949   27.925 -10.52248 35.62880 
1 1 1   28    4    2 o  127.705   18.197   59.051   15.629   77.046   19.347   25.249   26.516  145.684   19.692   88.558   32.715 57.12698 38.18420 
1 1 1   28    4    3 o  229.970   10.653  184.865   16.955  168.431   21.427  212.390   27.731  218.207   14.266  244.279   16.499 -26.07187 21.81147 
1 1 1   28    4    4 f  122.257   18.917   54.641   15.490   48.258   19.271   66.293   26.037  112.606   25.339  130.723   29.481 -18.11719 38.87414 
1 1 1   28    4    5 o  295.540   9.0988  305.041   18.611  305.772   23.484  303.805   30.518  295.093   11.498  292.233   15.141 2.859497 19.01173 
1 1 1   28    4    6 o  228.494   10.819  183.465   17.110  177.032   21.315  195.122   28.693  222.964   13.881  231.930   18.016 -8.965942 22.74345 
1 1 1   28    4    7 o  150.448   15.141   81.985   15.552   84.876   19.954   77.512   24.821  150.938   19.561  140.134   26.564 10.80457 32.98900 
1 1 1   28    4    8 o   51.713   22.206   1.8118   14.282   15.109   18.509 -17.7610   22.455   69.141   26.904   51.581   24.302 17.55954 36.25494 
1 1 1   28    4    9 o   83.671   22.074   28.238   12.968   41.382   18.454   15.415   18.227   98.905   26.447   67.970   26.630 30.93539 37.53094 
1 1 1   28    4   10 o  118.634   16.789   53.800   13.401   67.800   18.428   38.088   19.522  129.991   21.214   92.019   28.085 37.97186 35.19672 
1 1 1   28    4   11 o   57.242   22.225   11.444   12.609   11.707   17.354   11.150   18.350   61.001   25.228   61.231   25.681 -0.2298927 35.99969 
1 1 1   28    4   12 o   79.171   24.690   29.242   14.994   34.123   18.209   18.961   26.427   82.990   27.343   68.513   29.813 14.47705 40.45305 
1 1 1   28    4   13 o   79.314   22.456   29.337   12.884   33.934   17.800   24.278   18.675   80.050   27.048   68.895   26.965 11.15459 38.19250 
1 1 1   28    4   14 o  120.651   16.010   60.076   13.039   85.376   18.865   36.932   18.043  137.568   20.434   79.672   27.230 57.89603 34.04456 
1 1 1   28    4   15 o   54.566   22.744   14.801   14.263  -0.6766   23.767   23.512   17.830   49.144   23.657   61.856   25.576 -12.71224 34.83949 
1 1 1   28    4   16 o   61.410   23.257   23.653   13.575 -11.8000   22.821   43.066   16.887   42.476   21.010   79.462   26.339 -36.98595 33.69206 
1 1 1   28    6    0 o  337.924   7.6805  397.043   17.963  382.011   24.666  414.017   26.212  330.711   10.776  344.219   11.003 -13.50790 15.40092 
1 1 1   28    6    1 o  290.797   9.4260  294.764   18.971  302.494   23.457  280.146   32.257  294.060   11.525  280.888   16.667 13.17294 20.26387 
1 1 1   28    6    2 o  231.300   11.016  187.055   17.634  182.286   22.269  195.073   28.877  227.133   14.238  233.583   18.001 -6.450058 22.95097 
1 1 1   28    6    3 o  155.711   14.810   86.303   15.769   87.492   19.892   84.293   25.867  155.477   18.872  149.799   25.886 5.677567 32.03526 
1 1 1   28    6    4 o   67.357   23.895   14.885   13.966   37.649   19.486  -9.1594   20.026   98.991   27.472   54.306   24.629 44.68471 36.89582 
1 1 1   28    6    5 o  277.058   8.6775  267.921   16.640  287.894   23.688  248.465   23.379  286.103   11.963  265.510   12.722 20.59244 17.46321 
1 1 1   28    6    6 o  133.712   19.089   66.021   17.164   90.880   22.408   30.727   26.700  156.152   21.289   91.219   32.962 64.93266 39.23930 
1 1 1   28    6    7 o  161.862   14.555   94.572   16.131   95.694   21.335   93.073   24.649  160.195   19.655  155.569   23.636 4.625702 30.74082 
1 1 1   28    6    8 o  116.756   19.697   52.085   15.350   48.439   19.848   57.512   24.216  108.550   26.621  116.246   29.921 -7.696457 40.04974 
1 1 1   28    6    9 o  134.891   16.205   68.070   14.826   79.552   18.613   48.141   24.521  143.914   19.164  102.937   31.487 40.97727 36.86019 
1 1 1   28    6   10 o   46.821   20.563   0.2957   12.831   20.610   17.929 -21.0334   18.371   71.612   26.812   42.927   20.697 28.68501 33.87122 
1 1 1   28    6   11 o  101.891   22.151   43.936   15.175   43.823   18.396   44.176   26.846   97.712   26.522   91.150   33.035 6.562248 42.36411 
1 1 1   28    6   12 o   59.918   23.663   14.048   14.497   12.982   17.643   16.263   25.436   60.469   25.258   66.322   29.044 -5.853462 38.49044 
1 1 1   28    6   13 o   55.414   21.963   12.257   12.530   18.694   18.028   6.2420   17.428   63.465   25.921   53.164   23.628 10.30071 35.07379 
1 1 1   28    6   14 o   91.816   20.608   38.904   12.774   33.633   18.134   44.097   17.998   75.464   27.180   88.416   26.962 -12.95234 38.28454 
1 1 1   28    6   15 o   48.352   21.471   7.7848   14.361   9.5132   17.251   3.8829   25.920   50.919   22.997   51.525   24.779 -0.6052551 33.80640 
1 1 1   28    6   16 o   68.642   23.782   29.691   13.780   31.771   24.398   28.717   16.699   59.481   27.056   63.136   25.247 -3.655468 37.00605 
1 1 1   28    8    0 o  239.127   10.815  199.794   17.899  195.733   22.340  207.073   29.909  235.605   13.760  240.761   18.081 -5.156265 22.72148 
1 1 1   28    8    1 o  279.027   9.8631  271.634   19.047  208.118   23.707  387.317   31.994  242.797   14.169  331.848   13.930 -89.05110 19.86959 
1 1 1   28    8    2 o   87.051   24.833   28.402   15.695   45.952   19.895  -0.5268   25.542  109.849   26.478   67.561   29.354 42.28812 39.53161 
1 1 1   28    8    3 o   58.684   23.231   7.6033   14.005   14.275   20.281   1.5225   19.362   72.875   28.217   60.708   25.956 12.16643 38.33960 
1 1 1   28    8    4 o  361.684   7.2332  455.146   18.106  507.230   26.067  406.584   25.170  380.928   9.8870  340.766   10.672 40.16193 14.54801 
1 1 1   28    8    5 o  169.589   12.445  101.865   14.505  118.342   21.378   87.808   19.745  181.018   17.273  155.101   18.776 25.91710 25.51264 
1 1 1   28    8    6 o  178.508   11.709  112.867   14.386  126.557   21.204  101.192   19.581  186.990   16.556  166.761   17.213 20.22939 23.88268 
1 1 1   28    8    7 o   80.038   23.043   24.937   13.456   17.714   19.987   30.925   18.198   73.647   28.141   88.052   27.157 -14.40456 39.10805 
1 1 1   28    8    8 f   70.072   23.305   18.793   13.217   20.487   18.911   17.175   18.480   74.605   27.614   70.881   27.065 3.724686 38.66634 
1 1 1   28    8    9 o  152.525   14.584   85.782   15.208   99.871   19.228   62.244   24.853  162.673   17.346  118.119   30.264 44.55411 34.88248 
1 1 1   28    8   10 o  100.573   25.289   43.793   17.585   43.793   17.585   0.0000   0.0000  100.573   25.289  ?   ?  0.000000 25.28855 
1 1 1   28    8   11 f  130.135   18.381   67.364   16.094   79.713   18.976   35.717   30.377  139.922   20.178   82.819   33.716 57.10384 39.29279 
1 1 1   28    8   12 o   44.692   19.896   0.4769   12.411   15.347   17.098 -16.0799   18.042   62.157   25.299   42.832   20.617 19.32541 32.63543 
1 1 1   28    8   13 o   67.899   22.915   21.922   12.776   14.235   17.927   29.854   18.212   59.348   25.162   74.440   27.173 -15.09239 37.03407 
1 1 1   28    8   14 o   49.716   21.785   7.2852   14.330  -5.0585   23.927   14.189   17.894   49.733   23.890   56.819   24.628 -7.085705 34.31112 
1 1 1   28    8   15 o   40.469   19.119  -3.5727   14.075 -17.2244   23.975   3.6063   17.386   43.708   21.604   47.228   21.967 -3.519703 30.81062 
1 1 1   28    8   16 o   45.710   19.939   8.8597   11.884   4.9112   16.584   13.027   17.038   45.030   21.111   49.958   22.680 -4.927967 30.98480 
1 1 1   28   10    0 o   38.314   18.446 -21.0066   14.466   5.1237   19.632 -52.0471   21.397   64.139   26.705   39.639   19.731 24.49965 33.20337 
1 1 1   28   10    1 o  213.850   11.659  160.596   17.191  146.963   21.544  184.488   28.522  203.428   15.416  226.915   18.317 -23.48776 23.94095 
1 1 1   28   10    2 f  247.065   10.405  213.329   17.792  202.306   22.031  234.000   30.170  239.489   13.345  256.100   17.120 -16.61104 21.70614 
1 1 1   28   10    3 o  117.660   18.389   50.545   14.485   58.983   21.167   43.114   19.864  124.733   25.382  105.923   27.012 18.81016 37.06615 
1 1 1   28   10    4 o  249.452   9.0966  217.270   15.705  228.026   22.938  207.777   21.548  254.029   13.091  242.537   12.883 11.49147 18.36690 
1 1 1   28   10    5 o   53.553   22.244   3.7657   13.575   5.9504   19.913   1.8688   18.555   64.276   26.840   59.239   25.371 5.037792 36.93283 
1 1 1   28   10    6 o   76.373   23.402   22.153   13.538   16.237   20.551   26.688   17.994   73.390   28.407   83.459   27.166 -10.06931 39.30573 
1 1 1   28   10    7 o   77.403   24.674   23.218   14.899   18.888   25.775   25.392   18.259   78.376   31.358   80.924   27.394 -2.547768 41.63836 
1 1 1   28   10    8 o   55.815   22.209   8.1378   12.860 -11.9406   19.143   24.653   17.362   49.417   23.007   78.594   26.712 -29.17639 35.25428 
1 1 1   28   10    9 o   41.217   19.601 -14.9407   15.263   8.4320   18.471 -65.2683   27.104   61.310   25.742   42.310   21.230 18.99943 33.36745 
1 1 1   28   10   10 o   59.392   25.042   8.5660   17.598   8.5660   17.598   0.0000   0.0000   59.392   25.042  ?   ?  0.000000 25.04179 
1 1 1   28   10   11 o  112.600   20.009   52.001   15.022   48.531   18.661   58.390   25.321  102.863   26.154  105.902   31.910 -3.039276 41.25871 
1 1 1   28   10   12 o   41.450   19.189  -4.9968   13.031   9.4511   17.883 -21.3544   19.028   57.294   24.727   41.891   20.401 15.40303 32.05684 
1 1 1   28   10   13 o   67.828   22.879   22.026   12.735   29.540   18.435   15.166   17.614   73.563   27.258   59.750   25.115 13.81318 37.06409 
1 1 1   28   10   14 o   44.726   21.194  -4.6941   17.544   21.746   26.113 -26.4488   23.686   62.148   28.161   42.641   21.147 19.50722 35.21674 
1 1 1   28   10   15 o   38.404   17.912  -2.2174   11.689   3.6171   16.186  -8.5765   16.898   46.262   21.406   40.753   19.698 5.508556 29.08995 
1 1 1   28   10   16 o   56.270   21.706   18.873   11.967   20.980   16.365   16.451   17.544   55.525   23.804   51.819   23.317 3.705524 33.32183 
1 1 1   28   12    0 o  131.276   19.776   62.950   17.411   40.229   29.007   75.745   21.768  103.410   34.531  143.135   22.733 -39.72511 41.34180 
1 1 1   28   12    1 o  149.267   16.267   79.837   16.533   92.860   20.864   57.854   27.106  160.090   19.214  121.524   31.844 38.56596 37.19137 
1 1 1   28   12    2 o   83.196   24.715   25.852   15.270   43.776   19.369  -3.5820   24.820  106.962   26.338   64.517   28.458 42.44479 38.77551 
1 1 1   28   12    3 o   46.029   20.717  -5.7530   13.859   3.4606   20.047 -14.1874   19.180   62.943   26.643   50.061   23.212 12.88268 35.33645 
1 1 1   28   12    4 o  147.259   14.023   77.381   14.120  102.267   20.489   54.870   19.486  168.001   17.896  120.088   24.279 47.91270 30.16235 
1 1 1   28   12    5 f  108.845   19.508   44.175   14.156   41.878   20.521   46.260   19.554  102.924   28.044  108.765   26.271 -5.840805 38.42656 
1 1 1   28   12    6 o  197.236   10.678  137.451   14.522  120.373   21.745  151.198   19.510  181.384   17.540  205.505   13.797 -24.12070 22.31619 
1 1 1   28   12    7 o   91.642   24.908   33.730   16.212   57.735   19.949 -12.9658   27.822  120.488   24.750   60.576   28.042 59.91155 37.40178 
1 1 1   28   12    8 o  143.855   16.453   77.060   16.086   91.807   19.866   48.976   27.415  155.521   18.840  103.577   33.518 51.94354 38.45015 
1 1 1   28   12    9 o  106.891   21.606   46.016   15.435   46.795   18.660   44.327   27.465  104.678   25.898   96.224   33.561 8.454163 42.39157 
1 1 1   28   12   10 o   44.795   19.937  -1.0288   12.453   0.3171   17.676  -2.3551   17.548   52.963   23.650   51.032   23.108 1.931705 33.06447 
1 1 1   28   12   11 o   66.412   23.171   18.849   13.092   21.621   18.292   15.937   18.747   70.056   26.885   64.737   26.435 5.318611 37.70462 
1 1 1   28   12   12 o   53.142   22.462   8.1149   14.217   3.7842   17.581   16.298   24.166   52.661   23.545   64.833   28.353 -12.17224 36.85457 
1 1 1   28   12   13 o   80.322   31.905   43.678   26.497   0.0000   0.0000   43.678   26.497  ?   ?    80.322   31.905 0.000000 31.90487 
1 1 1   28   12   14 o   52.474   21.650   11.651   12.736   12.739   17.852   10.524   18.176   55.098   24.225   53.666   23.971 1.431736 34.08030 
1 1 1   28   12   15 o   53.248   21.352   14.296   11.980   20.516   16.493   7.3473   17.432   58.462   24.420   48.879   22.472 9.583984 33.18616 
1 1 1   28   12   16 o   59.131   21.824   21.258   11.794   35.619   16.381   5.7990   16.995   69.332   25.693   45.029   21.193 24.30274 33.30587 
1 1 1   28   14    0 o  242.873   11.157  206.560   18.755  176.358   22.872  268.537   32.765  222.923   14.910  274.142   17.358 -51.21880 22.88279 
1 1 1   28   14    1 o   41.930   19.886 -17.5464   15.510 -20.0091   19.058 -12.7171   26.689   46.983   22.212   61.848   28.197 -14.86577 35.89465 
1 1 1   28   14    2 o  234.152   11.013  192.084   17.848  190.452   22.463  194.878   29.393  231.863   14.064  232.663   18.403 -0.7994537 23.16211 
1 1 1   28   14    3 o  215.221   10.316  162.177   15.366  141.292   22.262  181.181   21.236  198.542   16.346  226.120   13.633 -27.57719 21.28489 
1 1 1   28   14    4 o  137.258   14.971   67.716   13.992   54.076   20.161   80.388   19.433  118.492   25.351  147.919   19.454 -29.42709 31.95523 
1 1 1   28   14    5 o   48.036   21.012  -1.3729   13.279   7.4780   19.713  -8.7255   17.967   64.847   26.859   50.662   23.112 14.18500 35.43397 
1 1 1   28   14    6 o   73.905   23.651   20.742   13.679   29.065   20.108   13.571   18.664   86.041   28.750   68.593   26.925 17.44855 39.38887 
1 1 1   28   14    7 o  104.471   22.996   43.220   16.177   37.664   20.142   53.317   27.151   95.007   28.423  109.954   33.024 -14.94662 43.57117 
1 1 1   28   14    8 o   57.278   24.878   2.8973   18.333   14.098   25.902  -8.3463   25.952   72.341   30.434   59.247   27.305 13.09429 40.88794 
1 1 1   28   14    9 o  145.942   13.388   78.298   13.372   66.264   19.687   88.605   18.219  127.091   23.238  152.195   17.622 -25.10395 29.16416 
1 1 1   28   14   10 o   53.108   21.646   7.7003   12.539   19.514   18.204  -2.9643   17.296   69.363   26.768   50.108   22.788 19.25463 35.15397 
1 1 1   28   14   11 o  108.010   18.164   47.039   13.097   71.964   18.928   24.146   18.140  130.309   21.754   72.289   26.988 58.02086 34.66419 
1 1 1   28   14   12 o   30.386   15.281 -36.4826   14.458 -29.6390   25.743 -39.6361   17.475   46.144   22.728   33.995   17.057 12.14841 28.41662 
1 1 1   28   14   13 o   78.843   25.132   32.382   15.458   35.396   18.805   26.102   27.143   78.647   27.746   67.266   29.710 11.38129 40.65176 
1 1 1   28   14   14 o   39.669   18.951  -7.7834   14.612  -0.2998   17.595 -24.4195   26.233   46.496   21.781   44.633   22.156 1.863110 31.06905 
1 1 1   28   14   15 o   85.517   20.796   36.779   12.190   50.116   17.631   24.565   16.873   89.747   26.534   61.470   25.088 28.27709 36.51624 
1 1 1   28   14   16 o   49.607   20.488   13.735   11.423   13.928   15.672   13.516   16.684   49.208   22.099   48.923   22.300 0.2846184 31.39528 
1 1 1   28   16    0 o  264.581   9.1310  244.326   16.721  270.588   23.807  218.758   23.490  277.445   12.398  248.681   13.701 28.76413 18.47734 
1 1 1   28   16    1 o  211.048   11.804  156.859   17.173  147.006   21.258  175.366   29.135  203.118   15.232  220.093   19.322 -16.97478 24.60376 
1 1 1   28   16    2 f  107.281   22.168   43.332   15.916   30.062   19.954   66.537   26.387   89.285   28.565  130.146   29.920 -40.86103 41.36582 
1 1 1   28   16    3 o  189.061   11.449  126.068   14.911  147.007   21.644  107.155   20.571  202.657   15.550  172.051   17.519 30.60634 23.42503 
1 1 1   28   16    4 o   70.346   23.538   17.813   13.478   8.5322   19.864   25.732   18.348   66.129   27.131   82.821   27.455 -16.69215 38.59887 
1 1 1   28   16    5 o  122.421   17.010   55.091   14.023   41.953   20.503   66.636   19.221  102.119   28.118  132.610   21.693 -30.49072 35.51323 
1 1 1   28   16    6 o  112.525   21.286   48.726   15.970   51.631   19.266   42.346   28.553  113.824   25.127   99.818   34.253 14.00633 42.48124 
1 1 1   28   16    7 o   80.422   25.423   26.084   15.842   17.514   19.517   42.639   27.125   71.733   27.706   98.166   33.389 -26.43298 43.38715 
1 1 1   28   16    8 o   50.485   22.312  -0.5460   15.332   0.6416   19.532  -2.4522   24.746   56.801   25.140   60.628   27.448 -3.826183 37.22087 
1 1 1   28   16    9 o  134.730   14.646   67.793   13.437   66.615   20.159   68.734   18.026  126.357   23.928  131.330   20.501 -4.973358 31.50947 
1 1 1   28   16   10 o   48.891   20.912   3.7525   12.576 -22.8708   18.194   28.115   17.404   41.309   20.080   78.542   26.745 -37.23363 33.44339 
1 1 1   28   16   11 o   82.917   24.312   31.646   14.857   38.741   27.522   28.728   17.650   82.880   32.644   77.081   26.903 5.798981 42.30111 
1 1 1   28   16   12 o   43.137   19.708  -2.0188   13.127  -4.2515   19.194  -0.0569   17.993   48.840   22.838   49.988   22.926 -1.148037 32.35945 
1 1 1   28   16   13 o   41.762   19.119  -1.2493   12.437   0.3308   17.758  -2.7706   17.424   48.410   22.407   46.399   21.716 2.011398 31.20385 
1 1 1   28   16   14 o   30.084   15.147 -33.2476   14.445 -46.3500   17.668  -6.8390   25.084   31.319   15.875   48.466   23.563 -17.14741 28.41164 
1 1 1   28   16   15 o   77.198   24.278   35.568   14.465   45.415   17.831   16.615   24.737   82.187   27.056   54.091   25.491 28.09536 37.17312 
1 1 1   28   16   16 o   31.248   15.356 -11.8016   11.530  -4.0141   16.115 -19.9706   16.505   39.129   18.992   34.038   17.004 5.091335 25.49163 
1 1 1   28   18    0 o   80.298   23.943   24.210   14.310   10.840   19.433   40.046   21.150   68.252   27.256  101.345   28.798 -33.09354 39.65084 
1 1 1   28   18    1 o  107.828   22.388   43.909   16.161   61.301   19.620   7.2000   28.504  127.617   23.062   74.921   31.745 52.69633 39.23732 
1 1 1   28   18    2 o  141.998   17.216   73.207   16.574   51.658   20.342  115.756   28.585  115.532   26.060  175.508   24.173 -59.97617 35.54572 
1 1 1   28   18    3 o  102.460   20.451   39.499   13.995   32.392   20.329   45.901   19.295   91.369   28.789  108.447   26.036 -17.07839 38.81599 
1 1 1   28   18    4 o   78.943   23.622   23.850   13.911   19.931   20.272   27.338   19.124   76.856   28.562   84.544   28.029 -7.687958 40.01798 
1 1 1   28   18    5 o   93.206   24.808   34.434   16.286   33.955   19.588   35.507   29.311   91.832   28.150   94.449   34.474 -2.616539 44.50703 
1 1 1   28   18    6 o  143.272   16.943   76.035   16.475   86.376   20.057   54.585   28.887  151.193   19.631  110.787   34.223 40.40583 39.45380 
1 1 1   28   18    7 o   51.388   21.261   4.9209   12.332   8.2320   18.281   2.1556   16.707   61.723   25.740   54.874   23.791 6.849277 35.05077 
1 1 1   28   18    8 o   54.264   21.995   7.4603   12.862   14.516   19.193   1.7089   17.329   67.061   26.978   54.596   23.939 12.46516 36.06808 
1 1 1   28   18    9 o   63.880   23.003   15.929   12.988   15.640   19.504   16.159   17.409   66.913   27.098   66.252   26.004 0.6610794 37.55714 
1 1 1   28   18   10 o   46.258   20.394   0.8446   12.733   0.9028   18.749   0.7948   17.346   53.652   24.127   52.070   23.326 1.582569 33.55902 
1 1 1   28   18   11 o  132.985   16.783   70.282   15.104   85.902   27.815   63.751   17.986  127.412   31.678  120.965   22.305 6.446686 38.74253 
1 1 1   28   18   12 o   56.651   22.233   13.230   12.724   28.470   18.055  -1.8050   17.934   73.335   27.013   48.567   22.493 24.76861 35.15155 
1 1 1   28   18   13 o   36.997   17.564  -7.6726   12.155 -22.9801   16.952   8.5255   17.438   37.050   18.286   52.915   23.569 -15.86491 29.83074 
1 1 1   28   18   14 o   44.242   19.696   4.2814   12.162  -9.8799   16.963   19.261   17.446   40.792   19.722   58.642   24.840 -17.85009 31.71749 
1 1 1   28   18   15 o   35.002   17.128 -12.4876   13.879   28.073   23.248 -34.9498   17.300   59.099   26.693   32.259   16.284 26.83941 31.26820 
1 1 1   28   18   16 o   61.710   24.995   31.815   16.597   31.815   16.597   0.0000   0.0000   61.710   24.995  ?   ?  0.000000 24.99525 
1 1 1   28   20    0 o  135.535   16.135   66.464   14.838   71.858   20.334   60.321   21.701  138.602   21.927  124.964   25.940 13.63814 33.96566 
1 1 1   28   20    1 o  137.899   17.336   69.274   16.180   84.362   19.960   40.366   27.629  151.428   19.498  101.114   33.698 50.31361 38.93265 
1 1 1   28   20    2 o   93.594   24.240   33.904   15.827   30.154   19.715   40.702   26.545   88.491   28.401  100.959   33.002 -12.46790 43.54012 
1 1 1   28   20    3 o   61.831   23.502   11.216   13.893   13.105   19.756   9.3690   19.542   69.772   27.601   66.171   27.002 3.601097 38.61282 
1 1 1   28   20    4 o  120.965   20.865   55.497   16.838   57.283   20.601   51.902   29.224  120.518   25.493  110.298   34.480 10.21930 42.88099 
1 1 1   28   20    5 o  107.370   19.769   43.943   14.149   72.895   20.128   15.660   19.894  137.736   21.843   71.124   27.833 66.61150 35.38057 
1 1 1   28   20    6 o  369.087   6.9112  476.475   17.655  473.978   25.397  478.811   24.558  365.978   10.027  368.148   9.6383 -2.170441 13.90797 
1 1 1   28   20    7 o   44.419   19.879  -2.7685   12.566   14.898   18.818 -16.9845   16.881   67.767   26.897   43.033   20.506 24.73444 33.82214 
1 1 1   28   20    8 o   63.552   22.734   15.374   12.667   18.685   18.923   12.685   17.050   70.357   27.252   63.317   25.443 7.040596 37.28275 
1 1 1   28   20    9 o  118.321   20.314   56.637   16.037   50.550   19.689   68.634   27.641  105.855   26.837  116.720   32.836 -10.86546 42.40779 
1 1 1   28   20   10 o  120.884   19.385   59.567   15.670   58.439   30.274   59.980   18.315   99.533   35.196  117.448   23.353 -17.91509 42.23853 
1 1 1   28   20   11 o  187.602   15.272  137.089   19.657  137.089   19.657   0.0000   0.0000  187.602   15.272  ?   ?  0.000000 15.27193 
1 1 1   28   20   12 o   53.661   21.601   11.148   12.313  -7.5068   17.012   31.674   17.844   44.206   20.925   76.317   27.017 -32.11062 34.17304 
1 1 1   28   20   13 o   34.752   16.826 -12.4509   12.456   1.3324   17.328 -27.1891   17.918   47.823   22.135   36.688   18.228 11.13577 28.67480 
1 1 1   28   20   14 o   44.222   19.557   5.0125   11.798  -7.7497   16.128   19.701   17.303   40.550   19.512   58.347   24.728 -17.79684 31.49931 
1 1 1   28   20   15 o   33.384   16.501 -16.3299   13.980 -17.5519   17.267 -14.0049   23.818   36.501   18.094   42.297   21.015 -5.795368 27.73169 
1 1 1   28   22    0 o   62.489   23.821   11.312   14.300   27.599   19.635  -7.0831   20.867   85.221   28.408   56.041   25.303 29.18007 38.04287 
1 1 1   28   22    1 o  134.270   16.176   65.575   14.729   54.867   19.991   78.290   21.785  118.755   25.108  143.794   22.639 -25.03833 33.80693 
1 1 1   28   22    2 o  105.011   26.935   43.909   19.671   43.909   19.671   0.0000   0.0000  105.011   26.935  ?   ?  0.000000 26.93514 
1 1 1   28   22    3 o  134.083   18.642   66.840   16.832   67.517   20.131   65.268   30.683  132.646   22.747  123.142   34.579 9.504868 41.39008 
1 1 1   28   22    4 o   68.952   23.662   17.453   13.626   34.386   20.177   3.2561   18.475   91.804   28.642   58.995   25.293 32.80943 38.21114 
1 1 1   28   22    5 o  257.919   8.5871  233.835   15.329  219.516   22.371  246.508   21.046  247.035   13.131  263.166   11.555 -16.13037 17.49137 
1 1 1   28   22    6 o  176.182   11.168  111.116   13.547   96.924   19.614  124.062   18.733  160.329   17.986  183.914   14.844 -23.58504 23.32019 
1 1 1   28   22    7 o   44.648   19.894  -1.9629   12.437   1.3579   18.353  -4.7827   16.912   55.636   24.509   49.593   22.546 6.042042 33.30184 
1 1 1   28   22    8 o   35.880   17.254 -15.2155   12.562   1.1489   18.558 -29.0565   17.067   54.905   24.393   37.843   18.614 17.06141 30.68362 
1 1 1   28   22    9 o   84.680   23.652   31.379   14.395   39.039   26.398   28.138   17.172   86.910   32.535   78.589   26.567 8.321136 42.00412 
1 1 1   28   22   10 o   93.766   20.397   37.146   12.861   11.273   18.975   59.130   17.491   60.284   25.733  116.910   22.432 -56.62611 34.13787 
1 1 1   28   22   11 o   50.278   21.003   7.3426   12.201   10.317   16.902   4.1066   17.631   56.609   24.229   52.522   23.524 4.087662 33.76954 
1 1 1   28   22   12 o   92.727   20.434   38.647   12.760   41.320   17.719   35.766   18.392   87.428   26.769   79.605   27.481 7.822556 38.36387 
1 1 1   28   22   13 o  110.478   17.297   52.546   12.792   58.643   17.328   45.244   18.964  107.529   23.903   86.161   27.876 21.36845 36.72137 
1 1 1   28   22   14 o   47.525   20.898   8.2114   13.289   13.901   16.051  -4.1917   23.699   52.978   23.139   46.963   22.849 6.014408 32.51905 
1 1 1   28   22   15 o   45.709   20.039   9.2256   12.139 -15.5043   16.636   37.385   17.752   36.146   17.890   69.022   26.486 -32.87558 31.96164 
1 1 1   28   24    0 o   47.100   21.200  -5.0674   14.516   9.4689   20.059 -21.0511   21.034   66.469   27.267   48.767   23.138 17.70219 35.76077 
1 1 1   28   24    1 o   60.522   24.584   7.9373   16.104   21.667   19.498 -21.5317   28.566   77.712   28.155   58.506   27.517 19.20599 39.36865 
1 1 1   28   24    2 o  205.209   15.015  152.187   21.177  152.187   21.177   0.0000   0.0000  205.209   15.015  ?   ?  0.000000 15.01475 
1 1 1   28   24    3 o   69.833   23.878   18.036   13.874   36.604   19.507  -0.9710   19.737   94.570   27.896   57.490   25.366 37.08046 37.70428 
1 1 1   28   24    4 o   95.365   21.216   35.554   13.642   21.409   19.225   49.902   19.361   75.997   27.892  110.792   25.740 -34.79429 37.95409 
1 1 1   28   24    5 o  127.561   15.855   60.396   13.696   49.385   19.854   70.394   18.918  108.826   26.586  134.667   20.981 -25.84164 33.86783 
1 1 1   28   24    6 o   80.870   22.010   26.481   12.649   47.001   18.610   8.8601   17.245  105.738   25.684   60.698   25.130 45.03939 35.93299 
1 1 1   28   24    7 o   71.488   22.772   20.897   12.692   0.5897   18.696   38.258   17.286   55.078   24.476   94.045   25.786 -38.96749 35.55267 
1 1 1   28   24    8 o   36.094   17.619 -21.7511   14.425  -6.5707   26.576 -28.0914   17.176   58.253   27.117   38.148   18.746 20.10563 32.96537 
1 1 1   28   24    9 o  111.650   16.523   48.737   12.382   43.391   17.805   53.744   17.231   97.104   25.983  111.619   23.067 -14.51489 34.74487 
1 1 1   28   24   10 o   30.433   15.130 -25.6682   12.419 -36.1259   17.551 -15.1811   17.576   35.307   17.622   42.611   20.470 -7.304501 27.01067 
1 1 1   28   24   11 o   97.034   19.977   40.894   12.969   39.342   18.488   42.397   18.198   85.942   27.495   90.217   27.022 -4.275406 38.55104 
1 1 1   28   24   12 o   74.883   22.468   27.499   12.573   12.509   17.464   43.628   18.115   56.160   24.336   88.549   27.059 -32.38834 36.39308 
1 1 1   28   24   13 o   41.931   19.547  -1.7806   13.889  -8.5255   16.733   13.161   24.904   41.425   19.919   56.113   26.163 -14.68797 32.88272 
1 1 1   28   24   14 o   56.454   21.674   17.421   11.891   24.158   15.865   8.7863   17.962   61.377   24.586   49.257   22.706 12.12000 33.46680 
1 1 1   28   24   15 o   41.483   18.832   5.1414   11.746   3.4505   15.601   7.3540   17.846   42.576   20.119   45.446   21.488 -2.869968 29.43668 
1 1 1   28   26    0 o   75.942   26.078   21.786   16.551   0.3074   20.351   63.756   28.447   59.227   25.957  121.634   32.967 -62.40732 41.95959 
1 1 1   28   26    1 o  120.201   21.329   55.513   17.094   57.074   20.992   52.439   29.453  119.106   26.178  109.313   34.675 9.792145 43.44750 
1 1 1   28   26    2 o   80.172   25.446   25.422   15.859   27.499   20.214   22.098   25.577   83.360   28.808   80.296   31.519 3.064789 42.70061 
1 1 1   28   26    3 o  111.481   21.540   48.468   16.018   65.888   20.309   19.800   26.054  129.077   23.604   78.111   31.429 50.96569 39.30564 
1 1 1   28   26    4 o   41.577   19.305  -8.9882   13.334 -12.1865   19.756  -6.3122   18.070   50.075   23.333   50.974   23.225 -0.8994484 32.92111 
1 1 1   28   26    5 o   79.885   27.355   26.403   18.209   0.0000   0.0000   26.403   18.209  ?   ?    79.885   27.355 0.000000 27.35538 
1 1 1   28   26    6 o   55.615   21.970   9.0881   12.501   20.752   18.768  -0.2138   16.761   72.746   27.394   52.346   23.222 20.40000 35.91220 
1 1 1   28   26    7 o   70.905   24.804   20.833   15.007   9.8634   29.997   24.495   17.332   69.491   30.935   75.543   26.639 -6.051331 40.82441 
1 1 1   28   26    8 o   35.123   16.941 -15.2457   12.338 -21.7195   17.777  -9.2287   17.138   41.155   19.969   46.002   21.533 -4.846157 29.36674 
1 1 1   28   26    9 o   81.760   23.419   30.002   13.930   10.532   22.867   41.491   17.566   62.350   27.416   93.904   26.092 -31.55435 37.84690 
1 1 1   28   26   10 o   53.914   21.724   10.267   12.467   5.3990   17.886   14.867   17.386   53.934   23.955   61.135   25.265 -7.200790 34.81608 
1 1 1   28   26   11 o   38.964   18.573  -9.8367   13.874  -9.5073   23.149 -10.0213   17.333   49.234   23.610   43.348   20.690 5.886478 31.39226 
1 1 1   28   26   12 o   50.658   21.860   8.6568   13.973   29.980   22.230  -5.2711   17.966   68.653   28.486   45.031   21.371 23.62234 35.61150 
1 1 1   28   26   13 o   46.980   21.017   6.0851   14.029   11.327   21.509   2.2039   18.508   53.528   24.735   47.501   22.280 6.027168 33.29005 
1 1 1   28   26   14 o   42.590   19.185   4.5758   11.914   22.910   16.615 -14.8298   17.094   58.521   24.483   37.511   18.485 21.01004 30.67771 
1 1 1   28   26   15 o   37.219   17.539  -0.0522   11.706  -2.8496   15.727   3.4231   17.529   38.912   18.857   42.573   20.449 -3.660645 27.81679 
1 1 1   28   28    0 o   54.769   22.762   5.2685   14.226   16.122   19.826  -6.2516   20.426   70.947   27.779   54.635   24.815 16.31257 37.24850 
1 1 1   28   28    1 o   48.614   21.403  -1.1088   13.975   5.9531   20.221  -7.5669   19.337   62.501   26.619   52.302   23.905 10.19918 35.77748 
1 1 1   28   28    2 o  108.246   20.179   45.340   14.562   28.681   20.392   62.673   20.801   83.809   28.936  124.515   25.006 -40.70641 38.24373 
1 1 1   28   28    3 o  171.426   14.218  107.285   16.717   93.610   20.799  132.244   28.098  156.452   19.641  183.611   22.587 -27.15843 29.93221 
1 1 1   28   28    4 o   50.540   21.694   2.3897   13.622   7.5595   19.208  -2.8415   19.322   61.699   26.096   54.403   24.476 7.296955 35.77792 
1 1 1   28   28    5 o   42.041   19.342  -6.5560   12.947  -9.3574   18.486  -3.8588   18.139   49.028   22.753   51.786   23.467 -2.757965 32.68631 
1 1 1   28   28    6 o   46.277   20.961  -3.5831   14.450   64.976   28.332 -27.6880   16.800  114.478   33.576   37.961   18.631 76.51772 38.39852 
1 1 1   28   28    7 o   76.820   22.327   25.030   12.579   45.519   18.560   7.6247   17.106  100.615   26.343   57.646   24.516 42.96867 35.98545 
1 1 1   28   28    8 o   92.512   20.036   35.518   12.457   14.763   17.907   54.982   17.341   63.450   25.865  112.976   22.960 -49.52577 34.58554 
1 1 1   28   28    9 o  112.445   18.925   52.087   14.205   61.156   18.166   37.815   22.789  117.551   23.152   83.499   30.410 34.05174 38.22009 
1 1 1   28   28   10 o   44.093   19.967  -0.6092   13.104   11.395   20.766  -8.5518   16.891   59.160   26.066   44.084   20.863 15.07556 33.38687 
1 1 1   28   28   11 o   39.216   18.590  -7.8338   13.523 -18.3024   22.380  -1.8143   16.971   44.847   21.904   46.672   21.707 -1.824688 30.83741 
1 1 1   28   28   12 o   58.650   26.701   16.839   23.827   0.0000   0.0000   16.839   23.827  ?   ?    58.650   26.701 0.000000 26.70107 
1 1 1   28   28   13 o   48.163   21.132   8.6940   13.521  -0.7590   20.999   15.389   17.671   46.915   22.494   54.392   24.001 -7.477615 32.89444 
1 1 1   28   28   14 o   28.551   14.389 -28.3363   13.213 -26.7854   20.765 -29.3916   17.128   36.858   18.507   32.940   16.573 3.918339 24.84314 
1 1 1   28   30    0 o  125.624   17.369   59.417   14.698   64.320   20.970   54.682   20.606  125.746   24.976  114.604   26.506 11.14226 36.41949 
1 1 1   28   30    1 o  117.915   18.316   52.971   14.463   63.557   20.632   42.742   20.280  125.028   24.718   99.900   28.134 25.12838 37.44995 
1 1 1   28   30    2 o  155.468   13.765   88.263   14.658   76.743   20.632  100.004   20.829  139.378   22.128  161.948   18.941 -22.56981 29.12723 
1 1 1   28   30    3 o   55.867   23.654   5.2241   15.808 -12.3437   19.527   38.634   26.928   49.175   23.007   92.092   33.126 -42.91644 40.33193 
1 1 1   28   30    4 o   99.563   20.775   39.654   13.853   38.435   20.022   40.773   19.188   93.034   28.451   96.471   27.435 -3.437103 39.52374 
1 1 1   28   30    5 o   54.598   23.357   4.8295   15.696 -20.7122   29.504   14.911   18.536   56.251   26.889   66.201   26.555 -9.949688 37.79078 
1 1 1   28   30    6 o  161.282   12.318   95.372   13.646   81.780   19.128  109.459   19.473  143.169   19.837  168.828   16.892 -25.65886 26.05495 
1 1 1   28   30    7 o   84.556   20.991   30.094   12.227   26.467   17.685   33.416   16.924   76.103   26.901   85.167   26.177 -9.063187 37.53526 
1 1 1   28   30    8 o   37.532   17.979 -13.1912   13.347 -20.1171   21.997  -9.1554   16.792   46.388   22.435   44.794   21.077 1.593903 30.78286 
1 1 1   28   30    9 o   44.323   19.802   0.4144   12.410   3.8216   17.766  -2.8314   17.341   52.753   23.622   48.157   22.238 4.595913 32.44252 
1 1 1   28   30   10 o   87.791   22.142   35.744   13.452   39.927   21.726   33.144   17.131   81.954   29.715   78.971   26.536 2.983315 39.83881 
1 1 1   28   30   11 o   77.741   25.971   33.580   16.409   45.039   22.316   20.093   24.211   82.797   30.102   62.147   27.719 20.65065 40.92020 
1 1 1   28   30   12 o   36.590   17.754 -12.2066   14.052   3.5727   21.879 -23.2855   18.333   50.510   23.855   37.650   18.660 12.85999 30.28626 
1 1 1   28   30   13 o   33.612   16.548 -15.8223   13.597 -17.8439   21.889 -14.5521   17.350   41.072   20.362   38.285   18.819 2.786312 27.72675 
1 1 1   28   30   14 o   47.743   21.466   12.025   14.835   14.010   28.164   11.263   17.452   49.456   24.242   47.533   22.076 1.923065 32.78756 
1 1 1   28   32    0 o   79.087   27.002   25.955   17.741   6.7317   31.521   34.868   21.464   71.242   31.713   89.099   29.702 -17.85713 43.45009 
1 1 1   28   32    1 o   78.141   24.368   25.177   14.606   22.025   21.169   28.040   20.178   75.503   28.935   81.462   28.742 -5.959221 40.78347 
1 1 1   28   32    2 o  190.010   11.471  130.060   15.015   90.457   20.620  174.762   21.907  152.299   20.049  217.755   14.620 -65.45560 24.81361 
1 1 1   28   32    3 o  104.872   22.358   44.942   15.732   69.432   19.573   0.2381   26.444  130.975   22.397   62.856   28.423 68.11853 36.18656 
1 1 1   28   32    4 o   40.975   19.672 -17.7370   16.173 -14.2390   29.768 -19.2021   19.265   58.766   27.776   44.941   21.547 13.82561 35.15387 
1 1 1   28   32    5 o   59.845   23.033   12.703   13.450  -3.3965   18.734   29.833   19.323   51.822   23.625   80.994   28.156 -29.17153 36.75460 
1 1 1   28   32    6 o  131.415   14.686   65.435   13.129   59.129   18.268   72.173   18.883  117.657   23.258  132.154   21.375 -14.49716 31.58811 
1 1 1   28   32    7 o   42.514   19.371  -3.2073   12.571 -23.0216   18.136   15.118   17.441   40.695   19.841   63.135   25.605 -22.43991 32.39243 
1 1 1   28   32    8 o   49.746   20.901   6.3290   12.191   18.812   17.239  -6.1571   17.241   65.414   25.813   46.500   21.711 18.91422 33.72929 
1 1 1   28   32    9 o   56.071   22.588   12.234   13.474  -1.8151   22.605   19.977   16.782   52.850   24.735   65.006   25.527 -12.15591 35.54495 
1 1 1   28   32   10 o   79.496   26.814   34.983   17.492   45.356   22.653   19.663   27.530   84.628   30.389   63.606   28.858 21.02130 41.90828 
1 1 1   28   32   11 o   52.997   21.981   11.943   13.229  -8.1512   20.302   26.772   17.440   45.455   21.877   67.517   26.160 -22.06238 34.10162 
1 1 1   28   32   12 o   42.362   19.078   2.8577   11.774  -0.2019   15.912   6.5592   17.502   44.072   20.667   48.999   22.523 -4.926773 30.56835 
1 1 1   28   32   13 o   51.536   22.064   14.480   14.025   6.7902   23.402   18.791   17.521   48.761   23.473   54.459   23.971 -5.698112 33.54961 
1 1 1   28   34    0 o  116.889   23.557   56.457   18.399   50.325   22.215   69.854   32.834  105.287   29.373  116.254   36.581 -10.96728 46.91465 
1 1 1   28   34    1 o  133.279   17.061   67.780   15.376   33.609   21.482  103.679   22.018   86.262   29.704  162.539   19.994 -76.27689 35.80656 
1 1 1   28   34    2 o   52.850   22.341   5.0528   14.066   0.6191   20.323   9.1293   19.487   56.723   25.341   61.947   26.248 -5.224583 36.48428 
1 1 1   28   34    3 f   55.593   23.919   5.0912   16.629  -7.5805   28.376   11.719   20.521   59.909   27.931   64.411   27.094 -4.502331 38.91311 
1 1 1   28   34    4 o  120.356   19.383   57.790   15.597   44.501   18.768   87.463   28.045   99.271   26.724  136.259   30.499 -36.98783 40.55022 
1 1 1   28   34    5 o   55.104   22.283   9.2384   13.168   12.216   18.425   6.1299   18.825   62.095   25.864   57.591   25.109 4.503891 36.04729 
1 1 1   28   34    6 o   34.326   16.671 -16.8971   12.469 -25.9286   17.484  -7.5477   17.789   38.789   19.031   47.220   22.049 -8.431370 29.12610 
1 1 1   28   34    7 f   42.552   19.334  -2.3347   12.413 -17.7082   17.462   13.369   17.649   41.463   20.037   60.780   25.314 -19.31680 32.28471 
1 1 1   28   34    8 o   37.941   17.848  -7.4910   12.029  -8.1015   17.350  -6.9260   16.691   45.081   21.276   44.898   21.090 0.1832275 29.95815 
1 1 1   28   34    9 o   47.162   21.686  -0.5836   16.242   3.8732   21.141  -7.0049   25.376   53.776   24.732   51.827   24.817 1.949215 35.03683 
1 1 1   28   34   10 o   51.788   22.028   9.7491   13.816   9.2683   22.513   10.040   17.499   55.664   25.572   53.926   23.835 1.738625 34.95712 
1 1 1   28   34   11 o   31.472   15.498 -17.1358   11.948 -23.5665   16.124  -9.3047   17.793   35.070   17.402   42.105   20.317 -7.035049 26.75094 
1 1 1   28   34   12 o   39.900   18.249   1.0546   11.295 -23.1054   15.531   28.183   16.457   33.686   16.775   65.401   25.392 -31.71520 30.43233 
1 1 1   28   34   13 o   49.384   21.075   13.326   12.721   1.9894   15.695   35.029   21.717   42.401   20.079   61.439   26.873 -19.03766 33.54615 
1 1 1   28   36    0 o   87.288   24.392   32.905   15.306   37.313   21.594   28.453   21.698   89.107   29.793   79.715   29.565 9.392120 41.97259 
1 1 1   28   36    1 o  174.436   15.871  115.209   18.951   90.390   33.832  126.556   22.877  131.390   36.095  180.047   18.628 -48.65723 40.61800 
1 1 1   28   36    2 o   63.670   25.271   14.380   16.612   14.137   30.101   14.487   19.920   71.097   31.351   65.759   27.097 5.338081 41.43787 
1 1 1   28   36    3 o   83.040   23.020   29.691   13.690   27.310   18.544   32.543   20.296   77.630   27.536   83.064   28.857 -5.433556 39.88656 
1 1 1   28   36    4 o  100.385   23.329   43.665   15.900   29.793   19.373   72.293   27.831   79.492   28.150  118.123   32.849 -38.63095 43.26072 
1 1 1   28   36    5 o  107.727   26.239   53.660   19.383   0.0000   0.0000   53.660   19.383  ?   ?   107.727   26.239 0.000000 26.23942 
1 1 1   28   36    6 o   72.050   24.174   23.801   14.217   28.839   23.505   20.895   17.852   75.267   30.001   68.080   26.442 7.186821 39.99062 
1 1 1   28   36    7 o   58.018   22.414   13.689   12.775   20.929   18.334   6.8575   17.810   66.881   26.548   54.818   24.147 12.06300 35.88645 
1 1 1   28   36    8 o   63.095   28.459   15.834   26.318   0.0000   0.0000   15.834   26.318  ?   ?    63.095   28.459 0.000000 28.45902 
1 1 1   28   36    9 o   39.460   18.693  -7.4565   13.627   3.0112   22.713 -13.3438   17.034   53.312   24.901   40.979   19.800 12.33364 31.81318 
1 1 1   28   36   10 o   95.866   21.757   44.315   14.105   20.863   22.354   59.830   18.182   61.052   26.964  106.920   25.015 -45.86862 36.78031 
1 1 1   28   36   11 o   35.697   17.151  -8.5126   12.346 -24.2606   16.530   11.360   18.568   34.940   17.384   52.344   23.730 -17.40372 29.41638 
1 1 1   28   36   12 o   39.596   18.815  -2.7301   14.013 -10.6634   23.667   1.5521   17.388   43.482   21.487   44.309   21.027 -0.8278122 30.06391 
1 1 1   28   38    0 o   96.136   26.117   41.845   17.829   39.615   32.655   42.792   21.281   86.349   35.030   94.009   29.430 -7.660278 45.75176 
1 1 1   28   38    1 o  131.301   26.598   77.187   23.342   39.293   32.332  118.439   33.734   85.861   34.848  155.079   32.471 -69.21841 47.63150 
1 1 1   28   38    2 o   42.548   19.888  -8.3770   14.532 -32.2513   20.304   16.697   20.808   40.862   20.138   67.005   27.661 -26.14260 34.21525 
1 1 1   28   38    3 o   78.117   23.703   27.115   13.935   19.641   19.270   35.307   20.175   68.540   27.213   84.782   28.795 -16.24232 39.61995 
1 1 1   28   38    4 o   52.274   22.762   4.6363   15.426   13.867   18.442 -16.8683   28.149   62.378   25.920   53.710   25.828 8.667217 36.59134 
1 1 1   28   38    5 o   65.601   23.271   18.939   13.245   44.618   18.613  -7.4012   18.851   95.611   26.962   47.934   22.484 47.67671 35.10682 
1 1 1   28   38    6 o   45.270   20.640  -1.6577   14.303 -14.1442   17.970   19.927   23.627   43.195   20.737   66.872   28.634 -23.67735 35.35441 
1 1 1   28   38    7 o   49.336   21.791   4.2664   14.601  -2.0058   17.539   18.424   26.351   48.088   22.262   64.863   28.926 -16.77519 36.50034 
1 1 1   28   38    8 o   36.527   17.439  -9.5820   12.334 -11.9675   17.600  -7.2801   17.289   42.427   20.407   44.227   20.982 -1.799976 29.26919 
1 1 1   28   38    9 o   41.849   19.474  -2.6901   13.688   21.790   22.243 -17.6103   17.365   62.506   27.272   39.178   19.168 23.32804 33.33417 
1 1 1   28   38   10 o   47.863   21.312   6.6641   14.247   6.9220   21.474   6.4614   19.041   51.753   24.186   50.432   23.294 1.321041 33.57885 
1 1 1   28   38   11 o   44.002   20.269   3.1929   14.276   18.371   24.546  -4.5645   17.549   55.288   25.844   42.434   20.403 12.85366 32.92741 
1 1 1   28   38   12 o   47.778   20.500   11.611   12.154  -5.1082   16.957   29.271   17.428   40.042   19.446   61.288   25.309 -21.24646 31.91715 
1 1 1   28   40    0 o   54.498   24.877  -0.6543   20.856   0.0000   0.0000  -0.6543   20.856  ?   ?    54.498   24.877 0.000000 24.87660 
1 1 1   28   40    1 o   57.880   23.450   11.330   14.612   0.3874   20.053   23.716   21.334   54.216   24.610   72.257   28.651 -18.04132 37.76994 
1 1 1   28   40    2 o   62.393   24.031   15.679   14.650   16.772   20.349   14.502   21.108   65.683   27.254   64.221   27.270 1.461998 38.55448 
1 1 1   28   40    3 f   80.255   24.355   29.737   14.711   34.422   20.547   24.808   21.073   81.943   28.993   72.212   28.526 9.730972 40.67292 
1 1 1   28   40    4 o   71.356   23.610   23.360   13.572   17.988   18.439   29.711   20.049   64.914   26.327   76.269   28.393 -11.35493 38.72067 
1 1 1   28   40    5 o   56.181   24.542   8.5715   18.062   3.5010   24.748   14.351   26.422   57.575   26.580   64.011   28.724 -6.435585 39.13545 
1 1 1   28   40    6 o   38.596   18.702 -15.9614   15.461 -29.5274   18.669   13.649   27.582   38.045   18.852   62.689   28.613 -24.64362 34.26472 
1 1 1   28   40    7 o   39.264   18.422  -5.8733   12.671 -31.9610   18.225   18.530   17.627   36.355   18.115   62.093   25.527 -25.73799 31.30097 
1 1 1   28   40    8 o   43.772   19.674   1.8444   12.450  -0.5088   17.956   4.0233   17.278   47.597   22.201   49.690   22.667 -2.092434 31.72770 
1 1 1   28   40    9 o   77.843   23.407   32.070   13.635   30.873   22.076   32.808   17.337   67.302   28.194   73.164   26.542 -5.862419 38.72207 
1 1 1   28   40   10 o   61.149   25.303   23.692   17.470   0.0000   0.0000   23.692   17.470  ?   ?    61.149   25.303 0.000000 25.30322 
1 1 1   28   40   11 o   40.591   18.596   2.4269   11.796  -4.2693   16.313   9.7641   17.076   40.642   19.573   48.318   22.224 -7.675964 29.61402 
1 1 1   28   42    0 f   59.274   24.185   12.799   15.675  -3.3668   24.199   24.484   20.574   55.105   25.726   71.618   28.219 -16.51302 38.18548 
1 1 1   28   42    1 o  100.627   18.530   41.615   12.430   17.785   27.855   47.540   13.890   67.893   30.037  106.814   19.507 -38.92029 35.81537 
1 1 1   28   42    2 o   83.617   21.815   31.009   12.758 -25.7951   28.440   45.320   14.275   50.204   24.556  102.813   20.776 -52.60900 32.16557 
1 1 1   28   42    3 o   55.868   24.295   8.3579   17.526   38.259   31.196  -5.4317   21.185   78.855   33.300   50.737   23.810 28.11843 40.93621 
1 1 1   28   42    4 o   39.750   18.806  -8.8151   13.704 -28.1367   18.598   14.135   20.270   38.616   19.076   61.103   26.348 -22.48698 32.52894 
1 1 1   28   42    5 o   99.872   27.211   51.791   19.321   51.791   19.321   0.0000   0.0000   99.872   27.211  ?   ?  0.000000 27.21082 
1 1 1   28   42    6 o   48.893   21.221   6.0422   13.321   1.1305   19.357   10.460   18.359   50.601   23.412   55.765   24.542 -5.164837 33.91767 
1 1 1   28   42    7 o  115.419   17.455   56.590   13.508   51.194   19.956   61.153   18.352   93.763   28.346  110.221   24.672 -16.45880 37.57900 
1 1 1   28   42    8 o   42.221   19.279   0.4736   12.540   10.828   18.482  -8.3595   17.070   53.653   24.054   42.144   20.227 11.50861 31.42775 
1 1 1   28   42    9 o   43.453   20.781  -4.4943   17.670   0.0000   0.0000  -4.4943   17.670  ?   ?    43.453   20.781 0.000000 20.78136 
1 1 1   28   42   10 o   44.269   20.202   4.7985   13.742   40.102   23.850 -12.7457   16.813   66.628   28.656   38.161   18.711 28.46624 34.22332 
1 1 1   28   42   11 o   36.345   17.306  -3.0479   11.976  -3.6058   16.979  -2.4955   16.895   40.291   19.542   40.694   19.676 -0.4032593 27.73149 
1 1 1   28   44    0 o   40.794   18.553  -2.1639   11.466   9.5512   23.426  -5.8546   13.149   60.011   26.979   40.815   19.024 19.19587 33.01175 
1 1 1   28   44    1 o   55.544   23.970   9.0395   16.803  -1.4956   27.668   15.195   21.150   57.008   26.894   62.445   26.921 -5.436157 38.05284 
1 1 1   28   44    2 f   64.501   22.317   18.902   12.133   9.0976   27.114   21.356   13.567   60.972   28.029   67.429   23.583 -6.457291 36.63089 
1 1 1   28   44    3 o   70.509   23.105   23.637   13.009   14.020   26.058   26.830   15.014   62.414   28.219   73.430   24.841 -11.01605 37.59551 
1 1 1   28   44    4 o   50.724   22.643   4.7678   16.190   18.036   19.079 -29.3561   30.597   62.410   26.181   49.003   24.255 13.40614 35.68971 
1 1 1   28   44    5 o   41.054   19.604  -9.6325   15.597  -3.4942   18.933 -22.5951   27.513   47.643   22.406   47.816   23.542 -0.1732635 32.49985 
1 1 1   28   44    6 o   35.805   17.215 -10.7104   12.489   0.2379   18.602 -19.6947   16.851   48.552   22.629   37.994   18.650 10.55798 29.32408 
1 1 1   28   44    7 o   50.427   21.490   9.5835   13.194   36.029   19.458 -12.9222   17.950   74.797   27.946   41.198   20.007 33.59869 34.36990 
1 1 1   28   44    8 o   52.184   22.296   12.246   14.269 -10.5902   26.157   21.921   17.025   47.205   23.184   60.760   25.045 -13.55494 34.12860 
1 1 1   28   44    9 o   37.304   17.652  -3.9651   12.085 -31.4474   16.941   24.508   17.244   32.945   16.564   60.709   25.131 -27.76382 30.09888 
1 1 1   28   44   10 o   38.565   18.414  -2.9268   13.756   12.610   23.209 -11.3400   17.079   49.751   23.800   37.956   18.660 11.79533 30.24283 
1 1 1   28   46    0 o   63.379   21.881   18.446   11.660   5.1122   24.448   22.371   13.266   56.803   26.292   68.231   23.349 -11.42789 35.16298 
1 1 1   28   46    1 f  129.382   19.546   71.970   16.957   55.659   27.027   82.559   21.776   91.136   33.128  131.205   24.891 -40.06884 41.43723 
1 1 1   28   46    2 o   44.128   19.445   2.5310   11.562   35.893   24.253  -7.2798   13.152   75.783   30.383   39.276   18.533 36.50644 35.58938 
1 1 1   28   46    3 o   73.962   23.476   27.186   13.498   22.493   25.997   28.918   15.794   65.256   28.937   73.953   25.470 -8.696320 38.54903 
1 1 1   28   46    4 o   44.445   19.556   3.3713   11.653   7.3805   26.649   2.4234   12.958   56.974   26.726   45.091   20.183 11.88296 33.49129 
1 1 1   28   46    5 o   39.277   17.865  -0.7337   10.636 -50.8781   24.639   10.750   11.791   38.278   19.335   51.550   20.998 -13.27179 28.54447 
1 1 1   28   46    6 o  127.269   18.337   71.430   15.686   77.937   19.620   59.902   26.114  124.806   23.577   87.707   32.453 37.09917 40.11350 
1 1 1   28   46    7 o   67.382   24.653   26.787   15.003  -7.2732   27.244   41.612   17.974   48.720   23.873   80.915   27.181 -32.19571 36.17632 
1 1 1   28   46    8 o   33.523   16.317 -11.4259   12.121  -3.7339   17.343 -18.7702   16.946   42.669   20.454   36.593   18.101 6.076160 27.31368 
1 1 1   28   46    9 o   30.634   15.165 -16.3523   11.977  -9.8898   16.691 -23.2117   17.196   38.403   18.790   34.645   17.314 3.758324 25.55088 
1 1 1   28   48    0 o   66.655   21.931   21.349   11.716   10.044   23.986   24.891   13.426   57.535   26.417   70.360   23.493 -12.82534 35.35219 
1 1 1   28   48    1 o   33.865   16.285 -10.7464   11.193 -19.0878   21.568  -7.6722   13.094   43.640   21.354   38.573   18.288 5.066814 28.11439 
1 1 1   28   48    2 o   42.507   20.635 -14.6208   19.049 -12.5122   24.196 -18.0585   30.894   47.814   23.222   50.586   24.913 -2.771679 34.05767 
1 1 1   28   48    3 o   58.525   25.210   16.079   18.517   13.844   25.775   18.463   26.620   58.720   27.115   61.105   27.973 -2.385342 38.95765 
1 1 1   28   48    4 o   80.593   22.285   32.340   12.847   30.034   26.312   33.062   14.721   66.312   29.272   78.310   24.471 -11.99825 38.15350 
1 1 1   28   48    5 o   38.640   17.759  -1.2837   10.875 -41.4195   25.287   7.8239   12.046   39.926   20.095   47.718   20.440 -7.792725 28.66292 
1 1 1   28   48    6 o   38.085   17.938  -4.0530   12.216 -45.8341   27.228   6.4770   13.669   39.961   20.199   46.867   20.871 -6.905800 29.04500 
1 1 1   28   48    7 o   36.435   17.214  -4.0883   11.411 -33.2146   27.506   1.9668   12.541   41.487   20.891   41.727   19.138 -0.2395973 28.33177 
1 1 1   28   48    8 o   40.972   18.834   2.6932   12.238   18.138   16.898 -14.3430   17.747   53.574   23.562   37.854   18.688 15.71966 30.07292 
1 1 1   28   50    0 f   52.165   20.692   11.628   11.132   2.5015   22.636   14.540   12.784   51.788   24.400   55.939   22.180 -4.150372 32.97394 
1 1 1   28   50    1 o   36.603   17.525  -9.1258   12.646 -36.9366   21.172   6.2982   15.767   37.596   18.851   49.599   22.228 -12.00384 29.14517 
1 1 1   28   50    2 o   42.206   20.025  -5.5492   15.756  -8.9122   25.260  -3.4077   20.157   48.520   23.602   47.137   22.447 1.382767 32.57162 
1 1 1   28   50    3 o   38.942   18.006  -1.9345   11.424 -30.1805   25.743   4.9925   12.748   42.701   21.317   45.750   20.276 -3.049046 29.42051 
1 1 1   28   50    4 o   34.828   16.562  -6.6279   10.899 -45.6293   25.685   1.9373   12.037   39.086   19.743   42.209   19.123 -3.122822 27.48617 
1 1 1   28   50    5 o   40.526   18.483   1.1531   11.484   4.5063   27.885   0.4682   12.602   51.670   25.057   41.214   19.006 10.45616 31.44940 
1 1 1   28   50    6 o   52.561   21.234   14.411   11.945 -27.4098   30.597   21.932   12.975   43.939   22.113   61.073   22.820 -17.13389 31.77660 
1 1 1   28   50    7 o   30.313   14.982 -15.4241   11.520 -23.7659   25.257 -13.2331   12.944   40.603   20.390   33.133   16.280 7.469906 26.09230 
1 1 1   28   52    0 o   62.031   23.102   20.881   13.276   23.532   23.144   19.582   16.208   60.968   27.154   59.320   24.443 1.647289 36.53475 
1 1 1   28   52    1 o   47.630   20.307   8.3231   11.791 -10.2683   22.913   15.019   13.752   45.513   22.214   54.976   22.567 -9.463535 31.66619 
1 1 1   28   52    2 o   30.964   15.280 -17.2882   11.816 -14.8537   25.242 -17.9714   13.371   45.334   22.363   33.034   16.292 12.30015 27.66857 
1 1 1   28   52    3 o   44.070   19.471   5.2613   11.668   29.376   26.341  -0.6252   13.014   61.591   28.053   40.904   19.019 20.68703 33.89261 
1 1 1   28   52    4 o   69.327   21.511   25.771   11.398   2.7078   27.133   30.713   12.560   49.911   24.319   74.740   22.464 -24.82894 33.10658 
1 1 1   28   52    5 o   32.489   15.936 -13.2777   12.238   0.0000   0.0000 -13.2777   12.238  ?   ?    32.489   15.936 0.000000 15.93621 
1 1 1   28   54    0 o   40.930   18.864   0.9592   12.388 -22.7512   22.192   11.693   14.931   40.185   20.018   50.538   22.189 -10.35298 29.88437 
1 1 1   28   54    1 o   47.779   22.209   6.3160   17.726   15.780   23.827  -5.4146   26.527   53.933   25.291   47.200   23.214 6.733315 34.32978 
1 1 1   28   54    2 o   47.245   20.273   9.5121   11.888   45.820   24.720  -1.4099   13.558   69.880   29.583   40.216   18.928 29.66400 35.12016 
1 1 1   28   54    3 o   35.092   17.322 -16.0459   15.233   12.361   27.884 -28.1310   18.187   51.564   25.017   34.659   17.391 16.90557 30.46795 
1 1 1   29    1    0 o  202.930   11.020  144.811   15.420  140.818   22.111  148.592   21.516  198.268   16.256  204.070   15.346 -5.802139 22.35536 
1 1 1   29    1    1 o  141.017   15.042   71.286   14.454   52.002   20.338   90.969   20.547  116.298   25.928  157.905   19.196 -41.60678 32.26061 
1 1 1   29    1    2 o  189.898   11.463  127.145   14.995  126.765   21.296  127.519   21.118  187.752   16.558  188.398   16.358 -0.6453247 23.27540 
1 1 1   29    1    3 o  131.711   19.262   63.941   17.040   10.234   30.174   89.088   20.647   78.045   32.842  155.698   19.594 -77.65327 38.24311 
1 1 1   29    1    4 o  167.145   13.197   99.602   15.142   85.226   21.422  113.957   21.407  151.146   21.049  176.853   17.728 -25.70731 27.51957 
1 1 1   29    1    5 o   53.813   22.258   4.6221   13.511   30.849   19.179 -21.2135   19.036   88.392   27.975   45.615   21.747 42.77798 35.43365 
1 1 1   29    1    6 o   77.551   23.877   23.534   14.074   31.935   19.662   14.705   20.156   88.638   28.354   70.368   27.866 18.26949 39.75502 
1 1 1   29    1    7 o   82.704   23.253   27.619   13.865   25.728   19.366   29.607   19.861   79.954   28.163   84.425   28.571 -4.471474 40.11764 
1 1 1   29    1    8 o  196.290   10.876  138.336   14.718  123.843   20.826  152.795   20.802  181.241   16.793  203.177   14.897 -21.93570 22.44819 
1 1 1   29    1    9 o  142.363   14.556   76.012   14.141   75.857   19.946   76.169   20.050  135.988   21.939  136.192   22.023 -0.2042084 31.08602 
1 1 1   29    1   10 o   57.143   22.748   11.313   13.497   31.632   19.013  -9.3312   19.164   80.884   27.939   48.036   22.576 32.84756 35.92027 
1 1 1   29    1   11 f   56.391   22.316   12.125   12.918   20.829   18.072   3.0300   18.473   67.032   26.436   52.949   23.866 14.08360 35.61570 
1 1 1   29    1   12 o   51.289   22.307   7.2002   14.782   2.5779   18.071   16.546   25.697   50.651   23.134   62.447   28.148 -11.79576 36.43498 
1 1 1   29    1   13 o   68.921   27.001   29.076   18.738   25.229   27.049   32.624   25.982   63.467   28.718   67.935   29.561 -4.467361 41.21430 
1 1 1   29    1   14 o   50.706   22.158   11.331   14.735  -6.6098   24.699   21.245   18.360   46.748   22.869   58.564   25.164 -11.81609 34.00324 
1 1 1   29    1   15 o   65.158   22.325   25.553   12.128   23.857   17.460   27.135   16.859   57.266   24.571   60.562   24.938 -3.295773 35.00901 
1 1 1   29    1   16 o   28.808   14.425 -19.3060   12.201  -2.3341   17.409 -35.6899   17.105   39.309   19.224   30.221   15.349 9.087236 24.59986 
1 1 1   29    3    0 o  143.101   15.089   73.384   14.720   48.073   21.012   97.776   20.627  111.264   27.454  164.106   18.482 -52.84259 33.09552 
1 1 1   29    3    1 o   57.511   23.023   6.9297   13.903   3.5953   19.491   10.383   19.837   62.106   26.279   68.282   27.442 -6.175854 37.99539 
1 1 1   29    3    2 o  124.035   16.957   55.945   14.176   66.762   19.737   44.421   20.372  133.628   22.115  106.687   27.436 26.94044 35.23882 
1 1 1   29    3    3 o   86.779   23.497   28.835   14.459   45.837   20.221   11.045   20.684  108.175   27.073   69.407   27.977 38.76780 38.93142 
1 1 1   29    3    4 o  113.537   19.133   47.987   14.500   47.220   20.841   48.706   20.187  109.087   27.586  111.228   26.585 -2.140770 38.31089 
1 1 1   29    3    5 o   46.595   21.385  -8.8038   15.694   28.137   27.341 -26.9560   19.166   87.823   33.065   43.395   20.976 44.42814 39.15752 
1 1 1   29    3    6 o   62.432   23.479   12.485   13.778   17.976   20.139   7.6532   18.892   73.392   28.199   62.867   26.187 10.52528 38.48338 
1 1 1   29    3    7 o   68.594   23.684   17.901   13.661   23.338   19.439   12.595   19.203   77.273   28.094   66.469   26.899 10.80403 38.89499 
1 1 1   29    3    8 o  165.623   12.340   99.671   14.043   91.714   20.239  107.060   19.503  153.601   19.475  168.220   16.983 -14.61955 25.84009 
1 1 1   29    3    9 o  109.936   18.265   47.607   13.410   36.045   18.901   59.324   19.028   88.531   27.739  117.982   24.117 -29.45197 36.75663 
1 1 1   29    3   10 o  124.364   16.094   60.168   13.528   73.019   18.988   46.921   19.278  131.806   21.560   99.380   27.224 32.42532 34.72699 
1 1 1   29    3   11 o   34.840   17.142 -22.8202   14.515 -19.8480   17.580 -29.1854   25.727   40.409   19.664   46.461   22.853 -6.052246 30.14878 
1 1 1   29    3   12 o   88.108   24.194   38.360   15.204   28.496   18.582   58.341   26.446   71.846   27.210   93.220   32.902 -21.37404 42.69606 
1 1 1   29    3   13 o   47.533   20.771   6.3967   12.948 -10.4249   18.089   24.072   18.542   42.469   20.491   64.253   26.270 -21.78392 33.31675 
1 1 1   29    3   14 o  105.698   20.957   54.969   14.789   76.341   25.717   44.407   18.078   97.746   32.508   82.168   27.252 15.57833 42.42022 
1 1 1   29    3   15 o   41.252   19.358   1.4556   13.998  -7.7561   23.359   6.6175   17.486   43.191   21.344   45.961   21.589 -2.769310 30.35884 
1 1 1   29    3   16 o   34.140   16.855 -10.6650   14.446   3.6805   27.239 -16.2790   17.040   43.891   21.914   34.581   17.276 9.309971 27.90464 
1 1 1   29    5    0 o   77.033   24.174   21.938   14.349   19.551   20.442   24.256   20.146   77.715   28.722   82.578   28.747 -4.863129 40.63656 
1 1 1   29    5    1 f  138.202   15.505   68.689   14.575   83.901   20.775   53.945   20.453  150.982   20.404  118.489   25.681 32.49322 32.80033 
1 1 1   29    5    2 o  104.671   23.872   41.921   16.911   20.195   29.347   52.722   20.692   84.627   33.589  116.692   26.255 -32.06416 42.63252 
1 1 1   29    5    3 o   88.843   22.983   30.239   14.239   14.596   20.509   44.798   19.785   72.379   28.277  106.940   26.788 -34.56034 38.95138 
1 1 1   29    5    4 o   73.420   23.977   19.937   14.014   31.677   19.974   8.5545   19.667   90.058   28.554   65.700   26.981 24.35826 39.28501 
1 1 1   29    5    5 f  122.179   25.803   59.044   21.135   59.044   21.135   0.0000   0.0000  122.179   25.803  ?   ?  0.000000 25.80280 
1 1 1   29    5    6 o  134.683   15.554   66.564   14.232   56.224   20.792   75.680   19.523  117.797   26.182  140.860   20.638 -23.06290 33.33749 
1 1 1   29    5    7 o   39.130   18.430 -11.5013   12.898 -28.2429   18.829   3.3002   17.704   41.569   20.256   56.990   24.600 -15.42110 31.86590 
1 1 1   29    5    8 o  117.532   17.006   52.723   13.432   43.338   19.100   61.906   18.892   99.540   27.028  123.088   23.022 -23.54876 35.50388 
1 1 1   29    5    9 o   40.859   18.962  -7.1544   12.841 -18.2710   17.916   4.5904   18.415   43.025   20.669   56.657   24.765 -13.63143 32.25655 
1 1 1   29    5   10 o   59.980   24.173   12.923   15.440   14.792   18.239   8.1951   29.003   63.273   25.983   64.809   29.487 -1.536377 39.30183 
1 1 1   29    5   11 o   40.393   19.275 -11.6607   15.024   1.1872   18.334 -37.9268   26.215   51.523   23.443   44.557   22.123 6.966019 32.23364 
1 1 1   29    5   12 o   88.524   21.436   36.088   12.994   34.904   18.452   37.254   18.300   78.825   27.508   81.786   27.426 -2.961327 38.84430 
1 1 1   29    5   13 o   54.634   21.934   13.742   12.660  -1.0056   17.989   28.211   17.819   46.627   21.900   68.438   26.462 -21.81074 34.34943 
1 1 1   29    5   14 o   60.041   22.675   20.328   12.880   33.161   18.704   8.7537   17.763   68.457   26.927   49.732   22.797 18.72527 35.28184 
1 1 1   29    5   15 o   36.072   17.950 -18.8902   17.656   0.0000   0.0000 -18.8902   17.656  ?   ?    36.072   17.950 0.000000 17.95038 
1 1 1   29    5   16 o   29.678   14.912 -21.8917   13.619  -0.6751   23.537 -32.5698   16.698   41.927   20.842   30.356   15.392 11.57089 25.90931 
1 1 1   29    7    0 o  242.637   9.4883  205.853   15.934  202.101   22.276  209.785   22.800  238.788   13.535  243.272   13.596 -4.484238 19.18442 
1 1 1   29    7    1 o   59.695   23.605   8.3366   14.444   13.800   20.073   2.4695   20.801   71.539   27.968   62.834   26.885 8.705685 38.79464 
1 1 1   29    7    2 o  171.224   14.904  104.958   17.486  116.790   22.135   85.317   28.519  179.322   18.082  147.625   28.947 31.69740 34.13057 
1 1 1   29    7    3 o  138.834   15.368   69.559   14.519   77.445   20.664   61.869   20.404  143.988   21.385  127.193   24.060 16.79523 32.18967 
1 1 1   29    7    4 o  230.488   9.8289  186.495   15.679  185.271   22.087  187.738   22.262  227.634   14.089  229.141   14.106 -1.507065 19.93649 
1 1 1   29    7    5 o  124.167   17.511   57.108   14.630   66.772   21.115   48.185   20.291  130.850   24.207  109.307   26.983 21.54259 36.25027 
1 1 1   29    7    6 o  243.854   10.784  210.779   18.200  240.537   31.490  195.853   22.303  254.679   17.981  232.881   13.901 21.79787 22.72729 
1 1 1   29    7    7 o   89.567   21.574   32.086   13.215   33.823   19.186   30.518   18.227   89.042   27.955   85.166   27.306 3.876678 39.07794 
1 1 1   29    7    8 o  110.682   18.065   47.481   13.361   57.411   19.723   39.059   18.164  116.424   25.208   94.482   26.632 21.94212 36.67012 
1 1 1   29    7    9 o   45.417   20.901  -5.6725   15.132 -28.1903   18.093   46.741   27.604   39.390   19.333   94.356   33.581 -54.96597 38.74859 
1 1 1   29    7   10 o   63.473   24.514   16.430   15.278   27.091   18.122  -9.7659   28.407   75.517   27.174   56.470   26.821 19.04682 38.18055 
1 1 1   29    7   11 o   90.610   21.908   36.796   13.588   42.243   18.907   30.978   19.540   90.330   27.652   76.583   28.117 13.74630 39.43620 
1 1 1   29    7   12 o   70.778   22.825   24.472   12.721   21.001   18.010   27.927   17.971   64.214   26.028   71.139   26.802 -6.925079 37.36051 
1 1 1   29    7   13 o   42.909   19.559   0.9771   12.834   15.093   18.267 -12.7818   18.035   56.555   24.694   41.286   20.051 15.26859 31.80941 
1 1 1   29    7   14 o   54.477   23.028   16.109   14.944   46.946   28.059   3.8984   17.657   69.034   30.361   46.761   21.878 22.27230 37.42266 
1 1 1   29    7   15 o   54.996   21.933   18.566   12.569   5.0763   17.692   32.313   17.860   44.964   21.300   63.562   25.862 -18.59768 33.50408 
1 1 1   29    7   16 o   46.975   20.844   14.469   13.512   8.2732   23.415   17.562   16.544   44.078   21.704   48.246   22.074 -4.167965 30.95718 
1 1 1   29    9    0 o  303.231   8.2189  320.776   17.249  325.538   24.094  315.770   24.705  304.328   11.439  299.530   11.917 4.798279 16.51866 
1 1 1   29    9    1 o   82.182   24.501   25.606   14.986   15.093   21.247   36.013   21.140   73.720   28.787   96.102   29.202 -22.38185 41.00543 
1 1 1   29    9    2 o  180.401   12.267  115.303   15.225  106.019   21.884  124.013   21.196  170.265   18.889  185.330   16.704 -15.06522 25.21566 
1 1 1   29    9    3 o  236.303   9.8407  195.847   16.094  214.936   22.686  176.503   22.837  245.826   13.384  221.947   14.954 23.87897 20.06844 
1 1 1   29    9    4 o  221.050   11.585  173.090   17.662  206.631   22.219  115.512   29.111  240.656   13.393  173.159   25.016 67.49654 28.37546 
1 1 1   29    9    5 o   75.309   25.528   21.426   15.856   8.1208   20.204   42.761   25.584   64.996   27.078  100.729   32.357 -35.73315 42.19241 
1 1 1   29    9    6 o  220.547   14.701  176.928   22.311  176.928   22.311   0.0000   0.0000  220.547   14.701  ?   ?  0.000000 14.70059 
1 1 1   29    9    7 o   77.858   24.830   24.839   15.087   50.038   19.816  -9.9073   23.270  108.700   26.565   55.279   25.609 53.42029 36.89893 
1 1 1   29    9    8 o   50.751   22.501  -0.0535   15.712 -10.2048   18.555   25.668   29.536   48.291   22.539   79.651   32.925 -31.35909 39.90061 
1 1 1   29    9    9 o   68.543   24.884   19.657   15.243   23.420   18.242   10.951   27.746   73.199   27.116   67.331   29.874 5.868202 40.34492 
1 1 1   29    9   10 o   83.918   22.053   30.867   12.976   12.531   17.990   50.748   18.733   60.735   25.448  104.193   26.048 -43.45781 36.41552 
1 1 1   29    9   11 o   74.688   22.932   26.044   12.993   2.2232   17.995   51.984   18.778   51.520   23.358  102.617   26.314 -51.09692 35.18599 
1 1 1   29    9   12 f   41.760   19.250  -2.2844   12.910 -23.9720   18.562   18.037   17.968   38.995   19.225   61.257   25.530 -22.26112 31.95902 
1 1 1   29    9   13 o   41.634   19.223  -0.8333   12.952   0.1667   18.582  -1.7782   18.062   47.323   22.237   45.961   21.697 1.362003 31.06814 
1 1 1   29    9   14 o   42.265   19.791   0.0822   14.499   8.8117   17.773 -17.2878   25.071   49.339   22.686   43.454   21.586 5.884884 31.31443 
1 1 1   29    9   15 o   40.472   18.685   2.8965   12.233   12.258   17.189  -6.7128   17.414   48.448   22.289   39.576   19.327 8.871773 29.50124 
1 1 1   29    9   16 o   43.527   19.381   10.375   11.781  -1.4027   16.237   23.467   17.119   38.436   18.747   51.368   23.081 -12.93135 29.73505 
1 1 1   29   11    0 o  220.799   10.803  171.198   16.509  134.284   22.583  213.572   24.196  192.783   17.103  244.879   14.339 -52.09538 22.31830 
1 1 1   29   11    1 o   42.580   19.861 -11.9876   14.370  -6.5669   20.035 -17.7310   20.623   55.391   24.921   50.157   23.523 5.233410 34.26979 
1 1 1   29   11    2 o   54.126   22.558   3.7953   14.028   26.099   20.012 -17.7495   19.669   83.819   28.678   48.559   22.837 35.25909 36.65993 
1 1 1   29   11    3 o  428.987   6.9886  641.432   20.750  622.375   28.639  662.489   30.105  421.098   9.8265  434.339   10.014 -13.24109 14.03033 
1 1 1   29   11    4 o  105.591   23.097   43.334   16.410   55.987   20.764   22.283   26.782  118.859   25.967   82.502   32.291 36.35717 41.43715 
1 1 1   29   11    5 o   75.015   25.091   21.529   15.316   28.508   20.161   12.005   23.552   84.697   28.785   70.988   29.377 13.70918 41.12907 
1 1 1   29   11    6 o  153.092   15.326   86.201   16.021   88.261   20.903   83.268   24.940  151.595   20.445  142.889   26.184 8.705780 33.22003 
1 1 1   29   11    7 o   47.842   22.676 -16.6182   20.105 -16.6182   20.105   0.0000   0.0000   47.842   22.676  ?   ?  0.000000 22.67605 
1 1 1   29   11    8 o  140.532   20.990   79.235   19.790   79.235   19.790   0.0000   0.0000  140.532   20.990  ?   ?  0.000000 20.99012 
1 1 1   29   11    9 o  161.429   14.095   97.838   15.590  112.770   19.597   72.098   25.729  170.653   16.810  121.538   30.606 49.11573 34.91847 
1 1 1   29   11   10 f   71.023   23.430   22.737   13.369   29.828   18.932   15.683   18.881   77.561   27.788   63.566   26.304 13.99473 38.26357 
1 1 1   29   11   11 o  123.195   16.155   60.890   13.442   49.978   19.061   71.687   18.960   98.971   27.053  126.256   22.524 -27.28566 35.20239 
1 1 1   29   11   12 o   44.202   19.922   1.3775   12.867  -4.7983   18.292   7.4272   18.104   46.126   21.793   52.928   23.762 -6.801586 32.24234 
1 1 1   29   11   13 o   62.448   26.077   23.540   18.798   0.0000   0.0000   23.540   18.798  ?   ?    62.448   26.077 0.000000 26.07705 
1 1 1   29   11   14 f   28.438   14.283 -26.1147   12.409 -31.9221   17.539 -20.2932   17.560   33.426   16.812   36.571   18.149 -3.145699 24.73911 
1 1 1   29   11   15 o   29.800   14.817 -17.3620   11.924  -4.9493   16.963 -29.4885   16.766   39.694   19.316   32.090   16.177 7.603931 25.19583 
1 1 1   29   11   16 o  ?   ?  -37.5741   10.949 -31.5900   14.843 -44.7183   16.218   28.343   14.385  ?   ?  0.000000 14.38549 
1 1 1   29   13    0 o  191.366   12.025  129.674   15.846  143.370   22.103  115.191   22.729  199.486   16.148  177.426   18.796 22.05986 24.77937 
1 1 1   29   13    1 o  143.964   15.142   74.713   14.861   64.442   20.966   85.084   21.068  129.651   24.257  151.278   20.663 -21.62730 31.86436 
1 1 1   29   13    2 o   70.453   24.082   17.765   14.112   22.406   20.260   13.390   19.669   79.574   28.719   70.043   27.593 9.530594 39.82698 
1 1 1   29   13    3 o  189.822   13.223  128.708   17.263  102.887   21.789  172.244   28.293  166.706   19.238  216.243   19.101 -49.53703 27.10987 
1 1 1   29   13    4 o   75.629   25.693   21.544   16.063   2.9037   20.369   52.195   26.120   61.241   26.410  110.895   32.157 -49.65409 41.61201 
1 1 1   29   13    5 o  121.541   19.732   56.292   16.029   59.538   20.527   51.220   25.661  121.766   25.188  108.526   31.989 13.23972 40.71493 
1 1 1   29   13    6 f  134.931   23.135   72.467   20.827   72.467   20.827   0.0000   0.0000  134.931   23.135  ?   ?  0.000000 23.13490 
1 1 1   29   13    7 o   65.669   26.802   13.013   19.257   13.013   19.257   0.0000   0.0000   65.669   26.802  ?   ?  0.000000 26.80154 
1 1 1   29   13    8 o   44.353   20.474  -6.6663   14.679 -14.0511   18.865   4.6673   23.371   46.445   22.000   61.602   27.370 -15.15658 35.11600 
1 1 1   29   13    9 o   42.755   19.882  -7.0957   14.229  -6.7028   17.995  -7.7512   23.243   48.214   22.400   53.505   25.055 -5.290489 33.60789 
1 1 1   29   13   10 o  126.673   18.262   65.313   15.548   76.792   19.753   46.620   25.207  132.973   22.249   90.109   32.088 42.86414 39.04700 
1 1 1   29   13   11 f   37.744   18.259 -15.0121   14.594 -10.5722   18.161 -23.1073   24.522   44.378   21.180   46.248   22.659 -1.870201 31.01710 
1 1 1   29   13   12 o   55.752   23.419   13.235   15.299   35.932   25.806   0.9347   18.998   72.174   30.372   49.364   22.961 22.81003 38.07456 
1 1 1   29   13   13 o   83.730   24.642   39.035   15.238   53.070   18.474   9.1610   26.952   94.825   26.903   54.319   25.891 40.50615 37.33813 
1 1 1   29   13   14 o   63.159   22.743   23.558   12.697   32.717   18.285   15.030   17.644   66.532   26.479   52.497   23.521 14.03576 35.41745 
1 1 1   29   13   15 o   46.677   20.343   11.365   12.346   2.6469   17.161   20.719   17.776   42.689   20.433   52.823   23.642 -10.13388 31.24839 
1 1 1   29   13   16 o   45.352   19.755   13.342   11.629   15.862   15.975   10.501   16.962   45.875   21.240   42.944   20.489 2.931107 29.51176 
1 1 1   29   15    0 o   79.167   24.458   23.870   14.754   28.268   20.701   19.330   21.033   86.193   29.169   76.885   28.990 9.307556 41.12456 
1 1 1   29   15    1 o  130.868   16.351   62.450   14.487   52.669   20.218   72.771   20.767  115.824   25.874  138.548   22.424 -22.72360 34.23838 
1 1 1   29   15    2 o   76.730   24.031   22.421   14.187   24.079   19.812   20.674   20.327   80.770   28.481   77.398   28.633 3.371758 40.38597 
1 1 1   29   15    3 o   97.148   24.023   37.175   16.062   18.453   19.951   71.659   27.077   74.449   28.195  131.786   30.317 -57.33614 41.40143 
1 1 1   29   15    4 o  147.693   17.136   80.644   17.191   67.664   21.159  105.854   29.487  131.113   24.209  162.324   27.210 -31.21103 36.42041 
1 1 1   29   15    5 f   43.606   21.023 -23.9964   18.951 -23.9964   18.951   0.0000   0.0000   43.606   21.023  ?   ?  0.000000 21.02349 
1 1 1   29   15    6 o   82.305   23.793   27.817   14.319   52.835   20.314   3.1094   20.188  111.768   26.638   59.384   25.944 52.38480 37.18399 
1 1 1   29   15    7 f   41.973   19.407  -7.2593   13.269  -0.6780   19.385 -13.0619   18.202   55.046   24.659   46.443   21.881 8.603397 32.96722 
1 1 1   29   15    8 o   74.340   23.362   23.593   13.396   38.503   19.677   10.715   18.288   90.813   28.278   61.334   25.675 29.47905 38.19481 
1 1 1   29   15    9 o   42.711   19.633  -4.6564   13.298 -17.1133   19.437   6.3054   18.233   44.826   21.532   56.502   24.671 -11.67568 32.74569 
1 1 1   29   15   10 o   83.320   24.579   32.911   15.144   21.531   19.256   51.366   24.521   67.952   27.133   94.648   31.747 -26.69580 41.76212 
1 1 1   29   15   11 o   72.341   26.842   28.040   17.889   41.063   25.892   16.146   24.744   79.509   31.552   62.496   27.938 17.01352 42.14357 
1 1 1   29   15   12 o   58.230   25.235   15.789   18.779  -7.3073   26.981   37.493   26.154   50.808   24.640   72.163   30.483 -21.35532 39.19624 
1 1 1   29   15   13 o   42.617   19.521   1.4595   12.989   9.9580   17.956  -7.8678   18.811   51.464   23.333   43.046   20.801 8.418819 31.25840 
1 1 1   29   15   14 o   44.172   19.827   6.1175   12.598   21.492   17.616  -9.9774   18.025   56.641   24.494   39.921   19.531 16.72018 31.32732 
1 1 1   29   15   15 o   76.024   26.902   46.899   17.691   0.0000   0.0000   46.899   17.691  ?   ?    76.024   26.902 0.000000 26.90214 
1 1 1   29   17    0 o   59.938   23.955   8.5441   15.025   14.096   21.000   2.7219   21.506   71.493   28.402   62.907   27.133 8.586651 39.27916 
1 1 1   29   17    1 o  104.730   20.681   41.770   14.459   56.684   20.159   25.971   20.749  120.192   25.046   83.021   29.158 37.17085 38.43832 
1 1 1   29   17    2 o   42.539   20.709 -30.5627   19.549   0.0000   0.0000 -30.5627   19.549  ?   ?    42.539   20.709 0.000000 20.70890 
1 1 1   29   17    3 o  203.150   15.635  150.167   21.814  150.167   21.814   0.0000   0.0000  203.150   15.635  ?   ?  0.000000 15.63503 
1 1 1   29   17    4 o  118.367   25.350   56.579   20.142   56.579   20.142   0.0000   0.0000  118.367   25.350  ?   ?  0.000000 25.35032 
1 1 1   29   17    5 o   42.384   19.887 -11.8092   14.768   1.1285   19.412 -29.5854   22.754   57.506   25.273   46.740   22.659 10.76587 33.94334 
1 1 1   29   17    6 o  118.472   17.378   53.521   13.826   74.554   20.387   35.612   18.813  136.368   22.377   90.460   27.561 45.90848 35.50150 
1 1 1   29   17    7 o   54.502   22.125   8.0003   13.035  -4.4521   18.920   19.250   17.984   51.829   23.672   70.031   26.709 -18.20169 35.68986 
1 1 1   29   17    8 o   47.867   20.951   1.6221   13.220  -2.6570   19.226   5.4601   18.208   52.368   23.897   56.677   24.703 -4.309391 34.37019 
1 1 1   29   17    9 o   32.021   15.860 -25.3412   13.162 -25.0701   19.637 -25.5623   17.736   41.830   20.448   39.109   19.184 2.720654 28.03849 
1 1 1   29   17   10 o   67.715   24.814   21.619   15.208   60.244   27.475   4.5599   18.260   98.527   33.603   53.496   23.951 45.03150 41.26522 
1 1 1   29   17   11 o   43.257   19.664  -0.4196   12.862 -14.7313   18.508   12.950   17.888   42.476   20.552   57.569   24.789 -15.09312 32.20040 
1 1 1   29   17   12 o   42.116   19.750  -3.5246   14.531 -11.6314   18.018   11.561   24.578   41.974   20.302   56.506   26.227 -14.53181 33.16674 
1 1 1   29   17   13 o   57.357   23.423   18.363   14.719   18.603   17.607   17.805   26.824   56.969   24.561   56.371   26.559 0.5973930 36.17543 
1 1 1   29   17   14 o   43.415   20.120   4.0080   14.383   11.306   16.876 -15.3659   27.497   48.969   22.362   43.712   21.853 5.257156 31.26728 
1 1 1   29   17   15 o   40.340   18.682   4.3862   12.370   33.953   16.882 -29.8883   18.176   62.710   25.276   32.660   16.508 30.05044 30.18896 
1 1 1   29   19    0 o   98.635   21.578   37.630   14.321   15.624   19.351   64.279   21.295   71.037   27.546  127.749   24.979 -56.71185 37.18564 
1 1 1   29   19    1 o  134.167   19.372   67.605   17.468   65.449   20.478   73.366   33.468  129.560   23.711  128.446   36.131 1.114136 43.21620 
1 1 1   29   19    2 o   38.740   18.864 -25.8320   16.252 -38.7791   19.495   3.6624   29.424   39.548   19.536   70.764   31.107 -31.21635 36.73302 
1 1 1   29   19    3 o  142.169   22.063   78.288   21.005   78.288   21.005   0.0000   0.0000  142.169   22.063  ?   ?  0.000000 22.06260 
1 1 1   29   19    4 o   67.180   24.614   16.173   14.963  -1.4451   19.888   39.156   22.715   56.532   25.176   95.082   30.483 -38.55020 39.53503 
1 1 1   29   19    5 o  135.382   15.002   67.882   13.820   69.110   19.436   66.625   19.656  131.898   22.071  128.860   22.877 3.037170 31.78819 
1 1 1   29   19    6 o   52.840   21.827   6.2176   12.967   1.4705   18.728   10.590   17.973   55.801   24.661   62.195   25.694 -6.393963 35.61393 
1 1 1   29   19    7 o   92.746   20.884   35.321   13.083   32.496   19.364   37.693   17.746   84.188   28.212   91.663   26.484 -7.474258 38.69506 
1 1 1   29   19    8 o   48.692   20.997   3.3844   12.872  -1.8681   18.793   8.0262   17.667   51.971   23.681   57.728   24.741 -5.757149 34.24749 
1 1 1   29   19    9 f   55.673   23.246   9.5870   14.937 -19.9073   29.083   20.155   17.409   52.842   25.617   67.225   26.111 -14.38266 36.57872 
1 1 1   29   19   10 o   64.867   22.972   19.389   12.902   11.213   18.324   27.427   18.168   57.787   24.985   72.710   27.036 -14.92355 36.81290 
1 1 1   29   19   11 o   69.149   23.136   23.782   13.022   23.581   18.924   23.962   17.946   66.001   26.705   66.628   26.322 -0.6271744 37.49712 
1 1 1   29   19   12 o   49.579   21.187   9.0411   12.888   12.413   17.957   5.4594   18.508   54.400   24.090   50.218   23.112 4.182487 33.38400 
1 1 1   29   19   13 o   35.843   17.241  -8.1082   12.563   10.295   17.207 -29.1206   18.386   50.371   22.839   35.280   17.672 15.09118 28.87727 
1 1 1   29   19   14 o   33.965   16.761 -14.7147   14.222 -14.8563   16.798 -14.3561   26.721   36.553   18.071   43.055   21.527 -6.501900 28.10649 
1 1 1   29   19   15 o   41.928   20.177   4.4136   17.258   4.4136   17.258   0.0000   0.0000   41.928   20.177  ?   ?  0.000000 20.17721 
1 1 1   29   21    0 o   67.291   25.461   14.890   16.261  -0.5235   19.469   50.439   29.568   57.250   25.231  106.702   34.827 -49.45237 43.00604 
1 1 1   29   21    1 o  109.905   23.331   47.772   17.198   44.709   20.617   54.780   31.184  103.676   28.052  110.083   35.758 -6.406517 45.44838 
1 1 1   29   21    2 o   48.217   22.068  -7.5051   16.554  -4.1679   19.469 -16.2146   31.452   54.566   24.557   62.511   29.232 -7.945335 38.17759 
1 1 1   29   21    3 o  113.609   21.291   50.509   16.126   42.970   20.444   62.927   26.237  100.550   28.223  119.626   31.321 -19.07594 42.16056 
1 1 1   29   21    4 o   66.935   24.370   16.525   14.634   32.556   19.165  -5.8927   22.663   87.342   27.999   56.756   25.917 30.58514 38.15322 
1 1 1   29   21    5 o   54.628   22.013   7.8758   12.802   25.767   18.292  -9.3016   17.923   78.343   27.385   48.261   22.399 30.08270 35.37875 
1 1 1   29   21    6 o   66.229   22.686   17.559   12.523   16.073   18.102   18.922   17.343   66.866   26.430   69.433   26.290 -2.566841 37.27867 
1 1 1   29   21    7 o   43.178   19.639  -3.6579   12.851   17.842   18.392 -24.1671   17.963   67.574   26.663   40.582   19.777 26.99195 33.19711 
1 1 1   29   21    8 o   82.091   24.649   30.779   15.127   61.366   28.265   18.501   17.908  104.149   34.054   66.638   26.305 37.51115 43.03063 
1 1 1   29   21    9 o   47.119   20.678   2.7226   12.953   14.641   18.548  -8.6244   18.097   61.739   25.852   46.109   21.752 15.62985 33.78576 
1 1 1   29   21   10 o   44.248   20.468  -3.0527   14.783 -12.1366   26.131   1.2230   17.928   50.943   24.592   50.167   22.962 0.7766457 33.64537 
1 1 1   29   21   11 o   48.640   21.060   6.7673   13.057   13.096   18.193   0.0448   18.751   56.551   24.669   48.690   22.702 7.860424 33.52569 
1 1 1   29   21   12 o   58.032   22.473   17.404   12.866   11.656   17.826   23.656   18.589   53.176   23.746   62.341   25.973 -9.164974 35.19231 
1 1 1   29   21   13 o   52.557   21.695   14.476   12.798   19.703   17.267   8.1050   19.064   56.419   24.324   49.074   22.885 7.344658 33.39677 
1 1 1   29   21   14 o   51.346   21.797   15.969   13.480   2.5395   16.594   42.029   23.116   42.865   20.400   63.863   27.835 -20.99774 34.50964 
1 1 1   29   21   15 o   39.547   18.488   4.6806   12.568   9.9582   16.997  -1.6855   18.667   43.626   20.728   39.468   19.424 4.158474 28.40639 
1 1 1   29   23    0 o   57.423   24.383   4.6413   16.875   24.244   20.610 -35.2293   29.393   79.125   28.903   53.343   25.833 25.78186 38.76504 
1 1 1   29   23    1 o  110.273   19.554   46.776   14.377   60.848   20.205   32.344   20.462  122.811   24.628   87.873   28.987 34.93775 38.03630 
1 1 1   29   23    2 o  130.142   16.390   63.181   14.435   69.483   20.384   56.842   20.445  132.164   23.127  117.354   25.868 14.80953 34.69873 
1 1 1   29   23    3 o   73.023   24.137   21.286   14.186   7.9232   20.221   34.236   19.906   63.032   26.724   89.136   28.532 -26.10395 39.09242 
1 1 1   29   23    4 o   70.789   25.206   19.755   15.554   12.430   19.789   31.595   25.158   65.733   27.037   84.987   31.772 -19.25444 41.71928 
1 1 1   29   23    5 o   83.164   22.511   28.766   13.274   19.062   18.809   38.396   18.736   70.475   27.205   92.930   27.318 -22.45510 38.55357 
1 1 1   29   23    6 o  129.083   15.149   63.018   13.277   54.208   19.670   70.391   17.994  110.786   26.086  132.332   20.294 -21.54613 33.05024 
1 1 1   29   23    7 o   71.326   24.327   22.247   14.401  -1.4522   27.481   31.219   16.908   60.140   27.850   82.172   26.295 -22.03137 38.30190 
1 1 1   29   23    8 o   46.056   20.325   1.4052   12.676  -9.9355   17.999   12.566   17.856   45.824   21.640   60.479   25.347 -14.65494 33.32854 
1 1 1   29   23    9 o   37.523   17.783  -9.1227   12.357   1.4398   17.802 -18.9455   17.167   50.970   23.156   40.037   19.471 10.93297 30.25472 
1 1 1   29   23   10 o   35.239   17.056 -13.6954   12.769   3.0041   18.328 -29.4494   17.801   51.034   23.305   36.603   18.183 14.43141 29.55927 
1 1 1   29   23   11 o   68.772   22.984   24.357   12.852   38.251   17.824   9.3126   18.547   80.551   27.067   53.361   23.996 27.18978 36.17240 
1 1 1   29   23   12 o   57.431   22.385   17.442   12.829   4.3960   17.505   32.580   18.857   47.868   22.188   69.240   27.097 -21.37234 35.02222 
1 1 1   29   23   13 o   62.485   23.734   24.749   14.163   5.6496   17.231   64.537   24.870   46.392   21.675   83.400   31.505 -37.00804 38.24068 
1 1 1   29   23   14 o   78.130   21.149   34.536   11.716   35.801   15.447   32.823   17.977   69.350   25.070   61.708   25.612 7.641888 35.83955 
1 1 1   29   25    0 o  138.594   15.696   71.338   14.791   71.553   20.088   71.084   21.859  134.352   22.391  132.038   24.831 2.313812 33.43578 
1 1 1   29   25    1 o  151.507   14.275   84.235   14.792  103.460   21.560   67.137   20.333  164.349   19.323  128.990   23.647 35.35922 30.53769 
1 1 1   29   25    2 o   68.672   24.290   18.155   14.420 -10.5538   20.146   48.317   20.650   50.936   23.677  105.602   27.853 -54.66513 36.55672 
1 1 1   29   25    3 o   41.137   19.276 -10.3450   13.795  -0.3532   19.855 -19.6685   19.180   56.179   25.077   45.043   21.571 11.13681 33.07772 
1 1 1   29   25    4 o   81.749   24.607   28.435   15.062   23.701   19.519   35.405   23.683   75.549   28.037   87.536   31.110 -11.98645 41.87967 
1 1 1   29   25    5 o  109.347   18.900   47.338   13.786   43.566   19.710   50.950   19.289   97.688   27.814  107.515   26.169 -9.827194 38.18985 
1 1 1   29   25    6 o  113.588   20.344   52.699   15.406   77.024   30.965   44.697   17.760  119.331   35.130   99.835   25.586 19.49638 43.45995 
1 1 1   29   25    7 o   95.980   20.079   38.415   12.909   42.106   18.706   35.059   17.838   93.645   27.230   85.484   26.972 8.160507 38.32664 
1 1 1   29   25    8 o   56.656   22.438   12.084   13.069 -27.2707   18.577   50.645   18.389   39.268   19.335  103.122   25.822 -63.85373 32.25888 
1 1 1   29   25    9 o   46.611   20.459   3.3673   12.685 -15.4060   18.334   20.607   17.569   42.566   20.560   65.397   25.979 -22.83146 33.13034 
1 1 1   29   25   10 o   59.164   22.504   16.365   12.745   40.970   18.243  -7.0937   17.813   85.325   27.314   44.622   21.206 40.70346 34.58008 
1 1 1   29   25   11 o   47.882   21.431   5.6380   14.607   26.878   24.477  -6.1108   18.204   64.017   28.247   44.168   21.115 19.84860 35.26706 
1 1 1   29   25   12 o   55.616   22.813   16.793   14.039   13.518   16.924   24.020   25.141   52.779   23.378   58.794   27.014 -6.015499 35.72550 
1 1 1   29   25   13 o   53.221   21.586   16.262   12.397   9.4102   17.185   23.698   17.901   47.771   22.087   57.342   24.744 -9.571182 33.16788 
1 1 1   29   25   14 o   42.434   19.146   7.5055   11.922   20.003   16.191  -7.2936   17.619   51.577   22.855   38.230   18.825 13.34700 29.61013 
1 1 1   29   27    0 o   79.992   23.958   26.541   14.304   42.307   20.288   10.955   20.172   97.928   28.324   64.836   27.038 33.09218 39.15763 
1 1 1   29   27    1 o  109.272   20.143   47.146   14.673   51.313   20.491   42.761   21.021  108.736   27.274   97.793   28.987 10.94273 39.80116 
1 1 1   29   27    2 o  157.784   13.763   91.632   14.879   76.140   20.948  107.403   21.137  136.855   22.927  166.967   18.607 -30.11159 29.52766 
1 1 1   29   27    3 o   78.726   23.996   26.184   14.259   48.248   20.462   5.3557   19.880  103.819   27.885   59.491   25.873 44.32775 38.03899 
1 1 1   29   27    4 f   80.463   24.924   28.131   15.310   23.166   19.640   35.820   24.442   74.098   27.995   86.463   31.493 -12.36469 42.13705 
1 1 1   29   27    5 o   52.245   23.443  -0.0282   17.598   0.1365   27.648  -0.1404   22.816   61.720   28.348   57.564   26.176 4.156803 38.58496 
1 1 1   29   27    6 o   39.227   18.381  -8.1912   12.546 -20.4293   18.381   2.4831   17.167   42.182   20.428   52.831   23.466 -10.64883 31.11225 
1 1 1   29   27    7 o   38.746   18.311  -9.4286   12.930   20.988   18.988 -35.7262   17.656   68.305   27.047   35.651   17.774 32.65442 32.36480 
1 1 1   29   27    8 o   45.409   20.065   1.9392   12.392 -15.3640   17.743   18.421   17.316   42.239   20.359   64.082   25.680 -21.84261 32.77081 
1 1 1   29   27    9 o   55.281   22.154   12.443   12.889   30.142   17.948  -6.4040   18.521   74.266   26.996   46.275   21.883 27.99104 34.75161 
1 1 1   29   27   10 o   41.151   18.961  -1.6967   12.503 -22.1453   17.442   19.920   17.933   37.800   18.636   61.669   25.587 -23.86972 31.65410 
1 1 1   29   27   11 o   40.371   19.012  -3.7176   13.714  -2.4992   16.686  -6.2537   24.074   43.995   20.795   47.702   23.167 -3.706944 31.13071 
1 1 1   29   27   12 o   53.029   21.350   14.726   12.030   25.833   15.940   0.0278   18.336   62.882   24.819   44.841   21.368 18.04111 32.75038 
1 1 1   29   27   13 o   39.290   18.321   1.0677   12.216  -1.0977   16.409   3.7599   18.297   41.259   19.810   44.450   21.227 -3.191212 29.03496 
1 1 1   29   27   14 o   41.854   19.088   7.6648   12.246   5.9084   16.845   9.6338   17.835   42.176   20.202   44.080   21.025 -1.904015 29.15788 
1 1 1   29   29    0 o   46.152   20.878  -3.5392   14.286  -7.3891   20.718  -0.0493   19.725   52.594   24.294   55.722   24.925 -3.128014 34.80596 
1 1 1   29   29    1 o  150.069   14.329   83.683   14.702   74.959   21.089   91.932   20.507  134.672   23.480  152.776   19.864 -18.10353 30.75502 
1 1 1   29   29    2 o   53.427   22.551   5.5655   14.297   2.3274   20.325   8.7372   20.115   57.565   25.553   61.886   26.458 -4.321159 36.78279 
1 1 1   29   29    3 o   35.018   17.117 -21.5823   13.750 -16.0481   19.244 -27.3549   19.654   45.950   21.896   42.046   20.533 3.904957 30.01720 
1 1 1   29   29    4 o  116.277   25.383   59.517   19.855   56.146   29.994   62.146   26.488  100.835   35.078  110.345   32.494 -9.509285 47.81543 
1 1 1   29   29    5 o   43.447   20.164  -6.6148   14.522   0.8723   18.308 -19.3171   23.847   53.046   23.849   49.279   23.716 3.766640 33.63337 
1 1 1   29   29    6 o   47.214   20.612   2.5900   12.722   7.8401   18.212  -2.4132   17.779   57.065   24.790   49.742   22.804 7.323349 33.68376 
1 1 1   29   29    7 o   39.798   18.607  -6.6527   12.731   16.798   18.306 -28.6180   17.717   63.345   26.024   37.573   18.572 25.77153 31.97139 
1 1 1   29   29    8 o   45.061   20.438  -0.1788   13.793   11.137   23.554  -6.0848   17.017   59.785   26.949   45.256   21.270 14.52967 34.33140 
1 1 1   29   29    9 o   37.128   17.663  -8.5261   12.420 -19.7275   17.168   3.7727   17.989   38.691   18.957   50.685   23.124 -11.99423 29.90117 
1 1 1   29   29   10 o   53.128   22.513   11.886   14.338  -6.6353   17.136   55.122   26.181   43.099   20.571   83.995   32.181 -40.89587 38.19416 
1 1 1   29   29   11 o   39.840   18.464  -0.9238   12.115 -13.1174   16.231   14.416   18.205   38.307   18.697   54.065   24.081 -15.75816 30.48725 
1 1 1   29   29   12 o   49.987   21.943   12.481   14.595   12.976   24.991   12.225   17.980   51.545   24.668   50.271   23.005 1.273987 33.73060 
1 1 1   29   29   13 o   36.659   17.432  -2.0847   12.068   0.2026   16.472  -4.7344   17.729   41.121   19.770   39.875   19.479 1.245968 27.75461 
1 1 1   29   31    0 o   82.124   24.641   29.367   15.122   11.122   21.299   47.914   21.475   64.161   27.322  101.120   29.110 -36.95896 39.92385 
1 1 1   29   31    1 o  124.934   17.380   60.611   14.621   28.205   20.640   93.255   20.716   78.948   28.911  152.718   20.086 -73.77002 35.20408 
1 1 1   29   31    2 o  103.992   20.995   44.514   14.591   33.459   20.313   56.297   20.971   84.273   28.892  111.144   27.429 -26.87124 39.83871 
1 1 1   29   31    3 f  126.616   20.499   65.461   17.350  110.244   30.552   44.146   21.078  152.880   29.946   95.428   29.194 57.45264 41.82127 
1 1 1   29   31    4 o   70.957   24.197   22.152   14.246   58.116   19.266 -21.2372   21.162  114.041   25.091   45.471   21.995 68.56949 33.36664 
1 1 1   29   31    5 o  100.433   22.359   43.923   15.143   63.690   19.667   15.146   23.730  118.975   24.693   65.612   28.400 53.36341 37.63378 
1 1 1   29   31    6 o   88.760   22.096   35.059   13.521   4.2071   19.078   66.196   19.165   54.471   24.428  121.319   23.675 -66.84763 34.01820 
1 1 1   29   31    7 o   36.030   17.273 -11.6377   12.373  -5.1079   17.588 -18.0354   17.409   46.683   21.839   40.535   19.689 6.147541 29.40470 
1 1 1   29   31    8 o   83.877   23.462   34.326   14.154   33.209   18.311   35.985   22.309   77.091   27.360   76.647   29.617 0.4440460 40.32064 
1 1 1   29   31    9 o   51.649   21.371   10.500   12.461   13.921   16.902   6.4287   18.442   56.439   24.194   51.805   23.549 4.633797 33.76241 
1 1 1   29   31   10 o   47.255   20.556   7.2130   12.556   8.6973   16.570   5.2109   19.244   50.685   22.746   49.915   23.182 0.7698212 32.47694 
1 1 1   29   31   11 o   44.700   19.819   6.0574   12.191  -7.6511   16.273   23.590   18.403   40.067   19.358   59.655   25.400 -19.58807 31.93589 
1 1 1   29   31   12 f   42.784   19.760   4.1856   13.701  -3.9122   16.883   19.805   23.448   40.753   19.696   52.997   24.928 -12.24399 31.76999 
1 1 1   29   31   13 o   32.681   16.250 -15.5398   14.351 -33.2439   25.201  -7.0436   17.458   36.760   18.666   38.068   18.744 -1.308022 26.45329 
1 1 1   29   33    0 o   48.214   21.608  -0.7380   14.902 -37.0341   20.740   38.000   21.426   40.096   19.868   88.055   29.676 -47.95988 35.71239 
1 1 1   29   33    1 o   99.205   25.552   44.366   17.651   88.293   32.178   25.459   21.111  127.887   35.230   74.920   28.850 52.96758 45.53487 
1 1 1   29   33    2 o   77.184   26.145   27.324   16.632   63.317   29.694   10.870   20.076  105.900   34.918   61.707   26.408 44.19299 43.77943 
1 1 1   29   33    3 o   52.751   22.320   6.6000   14.061   23.919   19.511 -12.1110   20.280   72.328   27.764   47.981   22.751 24.34755 35.89545 
1 1 1   29   33    4 o   82.799   23.151   30.793   13.784   40.544   18.450   18.474   20.736   91.167   27.187   66.790   27.597 24.37667 38.73860 
1 1 1   29   33    5 o   49.817   22.120   2.7115   15.240   22.609   19.016 -33.0146   25.481   69.199   27.173   45.434   22.423 23.76439 35.23032 
1 1 1   29   33    6 o   69.352   23.133   22.472   13.019   14.255   18.588   30.384   18.240   60.538   25.642   76.281   27.282 -15.74270 37.44083 
1 1 1   29   33    7 o   45.505   20.232   2.3202   12.792 -28.6267   18.939   28.282   17.347   38.401   19.020   72.806   26.529 -34.40504 32.64275 
1 1 1   29   33    8 o   65.848   22.753   21.521   12.610   28.234   18.328   15.488   17.376   70.167   26.915   58.450   24.777 11.71718 36.58310 
1 1 1   29   33    9 o   40.617   19.212  -5.3048   14.292   3.8753   17.289 -25.1171   25.399   48.666   22.376   43.903   21.795 4.762863 31.23595 
1 1 1   29   33   10 f   50.281   21.044   11.223   12.281   14.136   16.874   7.9408   17.909   53.732   23.590   49.886   22.877 3.845776 32.86082 
1 1 1   29   33   11 o   56.016   21.771   17.776   12.109   8.1221   15.946   30.921   18.608   47.396   21.680   64.163   26.285 -16.76722 34.07228 
1 1 1   29   33   12 o   40.110   19.467  -3.5887   16.925   0.0000   0.0000  -3.5887   16.925  ?   ?    40.110   19.467 0.000000 19.46679 
1 1 1   29   33   13 o   41.993   19.646   7.7151   14.234 -28.0585   24.955   24.968   17.330   36.530   18.552   52.245   23.366 -15.71449 29.83551 
1 1 1   29   35    0 o   58.711   26.551   3.7235   23.082 -23.8780   32.709   31.102   32.577   55.403   26.929   78.239   33.566 -22.83644 43.03280 
1 1 1   29   35    1 o   57.529   24.481   9.1243   17.077   7.7610   30.250   9.7620   20.690   65.081   29.803   60.618   26.379 4.462238 39.79982 
1 1 1   29   35    2 o  111.492   19.256   51.082   14.321   36.166   20.052   66.614   20.462   84.553   28.707  121.119   25.228 -36.56602 38.21746 
1 1 1   29   35    3 o   52.530   22.159   7.3066   13.791   17.274   18.629  -4.7790   20.513   64.706   26.379   51.063   23.787 13.64305 35.52066 
1 1 1   29   35    4 f   75.239   23.734   26.384   13.813   28.847   19.453   23.880   19.618   75.153   27.970   70.158   27.584 4.994713 39.28310 
1 1 1   29   35    5 o   56.045   23.503   10.917   15.366 -16.0056   19.380   56.488   25.214   43.834   21.164   97.081   32.184 -53.24729 38.51951 
1 1 1   29   35    6 o   79.873   22.915   30.424   13.328   52.274   18.978   9.1596   18.722  100.721   26.767   55.743   24.645 44.97721 36.38466 
1 1 1   29   35    7 o   29.575   14.795 -27.5780   12.692  -0.6266   17.931 -54.6385   17.967   48.077   22.344   30.756   15.631 17.32106 27.26904 
1 1 1   29   35    8 o   39.412   18.840  -8.5599   14.489 -22.0749   17.713   18.771   25.188   37.913   18.708   60.368   27.472 -22.45503 33.23706 
1 1 1   29   35    9 o   66.067   22.557   23.375   12.381   18.458   16.883   29.097   18.211   58.003   24.496   67.156   26.521 -9.153252 36.10270 
1 1 1   29   35   10 o   41.633   19.084   1.9326   12.447   0.3198   17.318   3.6561   17.902   44.519   21.085   46.554   21.860 -2.034683 30.37165 
1 1 1   29   35   11 f   42.327   19.452   4.0575   13.044   12.707   18.246  -4.9823   18.653   49.601   22.872   41.582   20.240 8.018845 30.54169 
1 1 1   29   35   12 o   47.031   20.963   12.967   13.823 -13.3561   22.639   28.612   17.453   39.423   19.727   57.358   24.587 -17.93445 31.52242 
1 1 1   29   37    0 o   89.638   29.919   42.863   21.777   0.0000   0.0000   42.863   21.777  ?   ?    89.638   29.919 0.000000 29.91910 
1 1 1   29   37    1 o  118.228   18.928   57.617   14.966   86.076   20.839   27.307   21.506  141.048   22.071   73.702   28.911 67.34606 36.37279 
1 1 1   29   37    2 o  133.981   16.313   71.161   14.815   61.978   20.699   80.805   21.212  113.186   26.832  134.174   23.710 -20.98785 35.80648 
1 1 1   29   37    3 o   56.080   22.728   11.602   13.732   12.477   18.806   10.603   20.098   59.642   25.543   58.953   25.817 0.6888885 36.31746 
1 1 1   29   37    4 o   65.767   23.825   20.293   13.962   25.253   19.066   14.559   20.502   70.129   27.301   61.219   26.448 8.910088 38.01154 
1 1 1   29   37    5 o   40.434   19.325 -10.7666   15.226 -22.3286   18.917   10.498   25.655   40.416   19.822   59.752   27.393 -19.33624 33.81291 
1 1 1   29   37    6 o   53.742   22.758   10.722   14.636  -1.6482   18.803   29.737   23.313   48.363   22.611   69.919   29.105 -21.55591 36.85628 
1 1 1   29   37    7 o   68.718   24.735   25.735   15.017   16.259   17.833   48.829   27.839   58.324   24.923   78.670   32.180 -20.34598 40.70246 
1 1 1   29   37    8 o   60.178   22.401   18.816   12.480   19.396   17.644   18.236   17.654   59.266   25.036   58.305   24.853 0.9606476 35.27709 
1 1 1   29   37    9 o   55.875   22.122   16.628   12.700   12.929   17.343   20.904   18.650   52.515   23.439   58.257   25.197 -5.742146 34.41354 
1 1 1   29   37   10 o   42.605   19.456   3.8778   12.774   1.4217   17.136   6.9495   19.163   44.060   20.898   47.711   22.470 -3.650463 30.68609 
1 1 1   29   37   11 o   28.607   14.456 -30.0722   13.881 -62.0488   22.288  -9.8073   17.743  ?   ?    38.349   18.885 0.000000 18.88502 
1 1 1   29   37   12 o   32.619   16.179 -12.6148   13.879 -50.5854   22.674   10.137   17.551  ?   ?    43.893   20.914 0.000000 20.91375 
1 1 1   29   39    0 o   71.013   26.289   24.963   17.140   11.980   27.968   32.772   21.690   63.221   28.839   77.246   29.364 -14.02567 41.15704 
1 1 1   29   39    1 o   36.720   17.940 -19.6549   15.047 -27.3483   21.077 -11.6592   21.487   41.892   20.621   47.897   22.910 -6.005508 30.82315 
1 1 1   29   39    2 o   72.205   26.798   26.828   17.832   67.805   32.969   9.8838   21.201   96.311   36.300   58.399   26.001 37.91146 44.65162 
1 1 1   29   39    3 o   46.341   20.954   0.7075   14.370   3.1630   20.345  -1.7373   20.301   53.350   24.435   50.697   23.633 2.653404 33.99340 
1 1 1   29   39    4 o   58.581   25.872   12.594   20.579   0.0000   0.0000   12.594   20.579  ?   ?    58.581   25.872 0.000000 25.87222 
1 1 1   29   39    5 o   43.593   20.441  -4.4155   15.561   3.7063   25.073  -9.5039   19.846   54.933   25.819   45.575   21.856 9.357140 33.82749 
1 1 1   29   39    6 o   47.351   22.309  -2.0983   18.921  -2.0983   18.921   0.0000   0.0000   47.351   22.309  ?   ?  0.000000 22.30873 
1 1 1   29   39    7 o   33.656   16.425 -14.2244   12.513 -26.9841   17.764  -1.6563   17.630   36.098   17.970   45.617   21.504 -9.519096 28.02430 
1 1 1   29   39    8 o   32.989   16.130 -13.7817   12.241 -10.3991   17.190 -17.2610   17.434   40.379   19.602   38.107   18.757 2.271545 27.13096 
1 1 1   29   39    9 o   61.420   22.686   22.139   12.750   12.090   18.054   32.137   18.008   50.852   23.186   66.619   26.353 -15.76735 35.10088 
1 1 1   29   39   10 o   35.841   17.557 -10.8559   14.701 -30.5219   24.660  -0.0141   18.310   38.537   19.451   43.015   20.721 -4.478058 28.41995 
1 1 1   29   39   11 o   46.525   20.860   12.667   13.904   37.356   23.258  -1.0636   17.344   57.077   26.136   40.163   19.542 16.91331 32.63361 
1 1 1   29   41    0 o   45.301   19.908   2.9543   12.042  -8.3171   28.446   5.4155   13.292   53.752   25.877   48.826   21.195 4.926720 33.44880 
1 1 1   29   41    1 o   34.141   16.893 -24.6268   14.799 -39.6558   21.236 -10.4353   20.635   38.176   19.103   46.743   22.382 -8.567410 29.42621 
1 1 1   29   41    2 o   58.003   24.734   13.456   17.499   22.323   21.179  -5.6195   31.063   65.688   27.572   55.531   26.808 10.15674 38.45596 
1 1 1   29   41    3 o   71.385   24.550   26.264   14.672   26.306   20.659   26.222   20.841   68.286   27.803   68.168   27.859 0.1182327 39.35862 
1 1 1   29   41    4 o   31.300   15.620 -27.2542   13.766 -48.2537   18.650  -2.1169   20.405   32.723   16.557   49.053   23.127 -16.32971 28.44311 
1 1 1   29   41    5 o   37.470   18.617 -27.4337   18.693 -27.4337   18.693   0.0000   0.0000   37.470   18.617  ?   ?  0.000000 18.61747 
1 1 1   29   41    6 o   41.104   19.488  -5.2883   14.870 -20.8445   18.728   21.254   24.462   38.999   19.243   60.360   27.312 -21.36115 33.40991 
1 1 1   29   41    7 o   49.353   21.288   9.7619   13.240   22.174   19.284  -1.3059   18.210   59.850   25.754   45.316   21.509 14.53330 33.55433 
1 1 1   29   41    8 o   51.839   21.574   13.638   12.805   14.486   18.690   12.888   17.579   52.824   23.890   51.667   23.286 1.156773 33.36091 
1 1 1   29   41    9 o   31.944   15.948 -21.9525   14.410 -17.2439   26.257 -23.9819   17.238   42.559   21.288   34.480   17.247 8.078915 27.39832 
1 1 1   29   41   10 o   34.455   16.674  -6.2419   12.193   1.1009   17.380 -13.3582   17.110   41.764   20.135   36.335   18.012 5.428734 27.01574 
1 1 1   29   43    0 o   53.380   21.270   11.681   11.811  -1.6410   24.344   15.782   13.507   52.369   24.860   58.561   22.929 -6.192387 33.81934 
1 1 1   29   43    1 o   43.810   20.717  -6.0648   16.597  -9.7171   26.929  -3.8277   21.075   50.886   24.664   49.010   23.226 1.876301 33.87848 
1 1 1   29   43    2 o   37.767   17.804  -6.2748   12.084 -15.4000   27.777  -4.1446   13.421   49.376   24.176   40.938   19.127 8.438934 30.82752 
1 1 1   29   43    3 o   41.121   19.447  -6.0176   14.632 -39.1469   20.843   26.176   20.546   36.962   18.556   66.304   27.439 -29.34229 33.12419 
1 1 1   29   43    4 o   40.642   19.542  -9.7564   16.105 -21.3504   19.125   18.512   29.863   39.578   19.513   60.267   28.278 -20.68879 34.35692 
1 1 1   29   43    5 o   69.165   23.629   26.234   13.585   22.108   19.584   30.061   18.861   61.096   26.113   68.292   26.984 -7.195763 37.54996 
1 1 1   29   43    6 o   63.393   24.497   23.985   15.264   31.166   19.421   12.380   24.687   67.153   27.095   54.272   25.543 12.88161 37.23639 
1 1 1   29   43    7 f   36.887   17.692  -6.8757   13.011  -0.4464   19.571 -11.9678   17.418   45.545   21.805   39.354   19.242 6.190823 29.08169 
1 1 1   29   43    8 o   40.080   18.894  -0.7221   13.609   39.293   25.516 -16.6290   16.088   62.861   28.216   35.643   17.632 27.21778 33.27259 
1 1 1   29   43    9 o   50.198   21.040   14.884   12.304   24.213   16.974   4.5556   17.860   56.021   24.134   43.966   20.990 12.05457 31.98475 
1 1 1   29   45    0 o   73.215   21.865   26.481   11.927   11.678   23.925   31.377   13.759   56.705   26.163   77.830   23.539 -21.12556 35.19321 
1 1 1   29   45    1 f   39.639   18.359  -2.4781   11.948   27.229   27.067  -9.6679   13.316   64.752   29.064   37.291   17.889 27.46158 34.12775 
1 1 1   29   45    2 o   75.214   25.909   32.839   16.344   42.171   26.198   26.894   20.912   73.772   30.793   65.513   27.443 8.258171 41.24710 
1 1 1   29   45    3 o   77.384   23.296   31.638   13.500   42.893   26.053   27.508   15.784   73.255   30.654   68.646   25.261 4.608871 39.72108 
1 1 1   29   45    4 o   29.689   14.914 -29.5361   13.571 -40.5773   19.308 -18.7570   19.078   34.191   17.252   39.641   19.534 -5.450108 26.06135 
1 1 1   29   45    5 o   61.935   22.702   21.313   12.731   23.411   18.702   19.502   17.379   60.537   25.685   57.765   24.642 2.772106 35.59407 
1 1 1   29   45    6 o   56.991   22.498   18.434   13.100   5.0911   19.432   29.550   17.736   47.871   22.570   65.008   26.011 -17.13745 34.43797 
1 1 1   29   45    7 o   75.958   26.942   42.124   17.753   52.878   27.178   34.122   23.445   69.247   30.181   61.452   27.353 7.795509 40.73224 
1 1 1   29   45    8 o   63.764   22.535   25.883   12.410   11.842   18.251   37.957   16.924   47.903   22.356   69.674   26.057 -21.77051 34.33345 
1 1 1   29   45    9 o   34.744   16.796  -4.6347   12.294  -5.0978   16.757  -4.0950   18.092   38.056   18.663   39.178   19.249 -1.121944 26.81129 
1 1 1   29   47    0 o   52.881   21.083   12.928   11.609   11.254   22.962   13.503   13.456   54.535   25.326   53.742   22.220 0.7934418 33.69120 
1 1 1   29   47    1 o   42.167   19.112   1.7438   12.039   9.1317   25.519  -0.3712   13.654   54.074   25.606   42.375   19.626 11.69909 32.26181 
1 1 1   29   47    2 o   36.755   18.337 -27.8297   18.923 -24.8927   24.915 -31.8342   29.092   42.722   21.270   43.980   22.058 -1.257267 30.64280 
1 1 1   29   47    3 o   30.832   15.354 -22.5172   13.019 -25.3951   25.146 -21.4634   15.217   42.396   21.149   34.174   16.948 8.221790 27.10246 
1 1 1   29   47    4 o   48.045   20.195   9.8205   11.389   35.224   27.005   4.3245   12.561   63.577   28.738   43.751   19.704 19.82578 34.84450 
1 1 1   29   47    5 o   43.146   18.975   5.7222   10.960   18.532   26.253   3.0185   12.061   54.581   25.883   41.778   19.011 12.80326 32.11440 
1 1 1   29   47    6 o   44.259   20.520   4.8792   14.984 -18.7902   25.003   18.146   18.719   41.681   20.838   53.256   24.013 -11.57476 31.79379 
1 1 1   29   47    7 o   50.903   22.003   16.031   14.204   7.6918   17.949   30.005   23.235   45.681   21.584   56.249   25.891 -10.56830 33.70800 
1 1 1   29   47    8 o   43.514   19.605   9.0796   12.447   6.1836   17.414   12.104   17.798   43.072   20.608   45.972   21.652 -2.899818 29.89107 
1 1 1   29   49    0 o   40.487   18.871  -1.0648   12.938 -30.5854   23.555   11.691   15.483   39.777   19.936   51.237   22.543 -11.45941 30.09423 
1 1 1   29   49    1 o   35.247   17.075 -10.3157   12.870 -12.1122   22.544  -9.4473   15.675   43.694   21.472   38.942   18.860 4.751564 28.57899 
1 1 1   29   49    2 o   40.582   18.593   1.2508   11.795 -18.6683   25.902   6.4622   13.249   43.727   21.757   45.750   20.448 -2.023300 29.85783 
1 1 1   29   49    3 o   53.168   22.852   15.449   15.151   3.2161   26.692   21.264   18.403   49.447   24.100   57.153   24.874 -7.705654 34.63401 
1 1 1   29   49    4 o   42.160   18.804   4.9173   11.140   2.9829   25.486   5.3741   12.386   48.134   23.479   43.418   19.559 4.716419 30.55839 
1 1 1   29   49    5 o   67.024   23.003   27.972   12.877   0.0000   0.0000   27.972   12.877  ?   ?    67.024   23.003 0.000000 23.00293 
1 1 1   29   49    6 f   42.498   19.046   6.7800   11.576   1.1849   26.499   8.0996   12.869   45.298   22.448   44.065   19.886 1.233101 29.98890 
1 1 1   29   51    0 f   43.872   19.925   5.0962   13.165  -7.2488   23.006   11.108   16.054   44.213   21.720   49.358   22.248 -5.144562 31.09250 
1 1 1   29   51    1 o   28.735   14.343 -20.7617   11.632 -13.1073   22.433 -23.5763   13.603   42.025   20.795   30.653   15.331 11.37207 25.83576 
1 1 1   29   51    2 o   38.351   18.604  -7.5029   15.405   4.6571   25.737 -14.2921   19.231   48.287   23.563   39.173   19.360 9.113766 30.49607 
1 1 1   29   51    3 o   51.639   22.228   15.734   14.375  -3.2805   25.809   24.287   17.309   45.363   22.421   57.561   24.574 -12.19805 33.26568 
1 1 1   29   51    4 o   45.884   20.088   10.081   12.161   0.0000   0.0000   10.081   12.161  ?   ?    45.884   20.088 0.000000 20.08830 
1 1 1   29   51    5 o   37.076   17.826  -3.0198   13.390   4.1756   29.569  -4.8760   15.019   45.778   22.852   37.567   18.257 8.211269 29.24953 
1 1 1   29   53    0 o   29.565   14.756 -19.7379   12.307 -31.3122   21.855 -14.3628   14.893   36.177   18.266   34.504   17.050 1.673370 24.98685 
1 1 1   29   53    1 o   36.558   17.401  -2.7536   12.084   16.605   22.745 -10.3677   14.264   50.222   23.896   35.226   17.264 14.99620 29.47980 
1 1 1   29   53    2 o   46.562   20.320   11.314   12.354 -10.9561   26.604   17.435   13.949   42.466   21.270   51.781   22.082 -9.314468 30.65964 
1 1 1   30    0    0 o   30.007   21.444 -30.7412   20.222 -30.7412   20.222 -30.7412   20.222   30.007   21.444   30.007   21.444 0.000000 0.000000 
1 1 1   30    0    1 o  166.867   18.850  100.387   21.054  100.387   21.054  100.387   21.054  166.867   18.850  166.867   18.850 0.000000 0.000000 
1 1 1   30    0    2 o   57.838   32.613   15.632   19.929   15.632   19.929   15.632   19.929   57.838   32.613   57.838   32.613 0.000000 0.000000 
1 1 1   30    0    3 o  168.327   19.304  102.349   21.723  102.349   21.723  102.349   21.723  168.327   19.304  168.327   19.304 0.000000 0.000000 
1 1 1   30    0    4 o   96.517   41.601   46.951   28.554   46.951   28.554   46.951   28.554   96.517   41.601   96.517   41.601 0.000000 0.000000 
1 1 1   30    0    5 o   78.365   34.738   31.174   19.878   31.174   19.878   31.174   19.878   78.365   34.738   78.365   34.738 0.000000 0.000000 
1 1 1   30    0    6 o   60.402   32.509   18.527   18.808   18.527   18.808   18.527   18.808   60.402   32.509   60.402   32.509 0.000000 0.000000 
1 1 1   30    0    7 o   90.288   33.231   38.521   19.213   38.521   19.213   38.521   19.213   90.288   33.231   90.288   33.231 0.000000 0.000000 
1 1 1   30    0    8 o   46.609   28.779   6.3287   18.244   6.3287   18.244   6.3287   18.244   46.609   28.779   46.609   28.779 0.000000 0.000000 
1 1 1   30    0    9 o  102.877   32.294   47.401   20.188   47.401   20.188   47.401   20.188  102.877   32.294  102.877   32.294 0.000000 0.000000 
1 1 1   30    0   10 o   99.970   31.269   44.965   18.980   44.965   18.980   44.965   18.980   99.970   31.269   99.970   31.269 0.000000 0.000000 
1 1 1   30    0   11 o   29.597   21.592 -58.2927   26.397 -58.2927   26.397 -58.2927   26.397   29.597   21.592   29.597   21.592 0.000000 0.000000 
1 1 1   30    0   12 o   52.426   33.174   8.3366   25.856   8.3366   25.856   8.3366   25.856   52.426   33.174   52.426   33.174 0.000000 0.000000 
1 1 1   30    0   13 o   52.367   31.026   14.097   19.466   14.097   19.466   14.097   19.466   52.367   31.026   52.367   31.026 0.000000 0.000000 
1 1 1   30    0   14 o   40.076   26.197   1.7766   17.904   1.7766   17.904   1.7766   17.904   40.076   26.197   40.076   26.197 0.000000 0.000000 
1 1 1   30    0   15 o   88.030   31.945   41.338   17.884   41.338   17.884   41.338   17.884   88.030   31.945   88.030   31.945 0.000000 0.000000 
1 1 1   30    0   16 o   33.452   23.299  -8.7643   19.361  -8.7643   19.361  -8.7643   19.361   33.452   23.299   33.452   23.299 0.000000 0.000000 
1 1 1   30    2    0 o  129.049   17.089   61.225   14.887   46.880   20.934   75.904   21.176  107.854   27.850  141.171   22.423 -33.31673 35.75534 
1 1 1   30    2    1 o  194.052   11.360  133.510   15.191  131.125   21.214  136.019   21.763  189.934   16.296  193.402   16.414 -3.467834 23.12918 
1 1 1   30    2    2 o   95.174   22.402   35.253   14.511   21.550   20.209   49.840   20.850   77.754   28.588  111.065   27.314 -33.31100 39.53885 
1 1 1   30    2    3 o  114.430   19.289   49.539   14.733   51.947   20.817   47.122   20.855  113.040   26.982  107.093   27.868 5.947044 38.78999 
1 1 1   30    2    4 o   35.216   17.302 -27.0629   14.615 -28.6111   20.835 -25.5632   20.506   44.761   21.695   45.438   21.898 -0.6767998 30.82502 
1 1 1   30    2    5 o   51.564   21.981   3.0124   13.811 -10.4464   19.619   16.236   19.447   50.609   23.470   69.847   27.463 -19.23810 36.12516 
1 1 1   30    2    6 o  130.219   16.426   64.066   14.475   57.244   21.114   70.115   19.883  115.187   26.961  131.684   22.631 -16.49706 35.20069 
1 1 1   30    2    7 o   73.295   23.697   22.748   13.705   23.346   19.877   22.207   18.923   74.182   28.131   72.830   27.489 1.351883 39.33164 
1 1 1   30    2    8 o   75.809   23.216   25.237   13.327   28.171   19.163   22.488   18.546   77.349   27.929   71.332   27.143 6.016876 38.94571 
1 1 1   30    2    9 o  141.455   14.339   76.858   13.844   84.296   19.416   69.167   19.746  141.498   20.417  124.129   23.850 17.36946 31.39574 
1 1 1   30    2   10 o   38.699   18.777 -16.4250   15.714 -31.2033   18.709   18.980   28.958   37.547   18.651   65.453   29.657 -27.90559 35.03383 
1 1 1   30    2   11 o   65.618   24.659   22.746   15.192   31.233   18.469   4.9902   26.714   72.840   27.224   55.546   26.272 17.29422 37.83340 
1 1 1   30    2   12 o   53.854   22.860   13.691   14.825   26.980   25.092   6.5654   18.375   62.435   28.006   50.024   23.025 12.41068 36.25645 
1 1 1   30    2   13 o   59.702   24.314   23.203   15.805   9.1902   27.180   30.361   19.427   51.083   24.764   63.258   26.470 -12.17539 36.24836 
1 1 1   30    2   14 o   43.865   19.744   7.8333   12.589   14.808   17.683   0.6656   17.926   49.265   22.643   42.303   20.408 6.961441 30.48282 
1 1 1   30    2   15 o   30.162   15.014 -14.8079   12.388  -5.0786   17.778 -23.9918   17.272   37.821   18.677   32.369   16.331 5.451668 24.81015 
1 1 1   30    2   16 o   32.458   16.189  -8.6588   14.702   14.351   26.555 -18.8294   17.655   40.684   20.491   31.794   16.089 8.889715 26.05285 
1 1 1   30    4    0 o   67.476   24.218   15.640   14.386   22.864   20.627   8.7985   20.073   79.652   28.943   65.869   27.178 13.78360 39.70345 
1 1 1   30    4    1 o  163.364   13.566   95.788   15.200   93.069   21.635   98.438   21.358  157.623   20.304  162.714   19.344 -5.091049 28.04396 
1 1 1   30    4    2 o  104.037   24.593   42.849   17.429   49.561   29.475   39.240   21.612  107.301   34.757   97.772   29.486 9.529274 45.57937 
1 1 1   30    4    3 o  124.360   17.955   57.771   15.006   50.593   21.202   64.975   21.242  111.000   27.690  128.029   24.868 -17.02993 37.21771 
1 1 1   30    4    4 o  119.000   18.384   53.543   14.653   68.423   20.940   39.265   20.512  131.280   23.928   96.525   28.639 34.75543 37.31918 
1 1 1   30    4    5 o   96.626   24.057   38.284   16.026  -0.7424   26.508   60.768   20.120   63.742   28.674  121.987   24.679 -58.24493 37.83126 
1 1 1   30    4    6 o   52.780   22.130   5.2522   13.621  -3.5030   20.067   12.732   18.548   54.301   24.637   64.733   26.348 -10.43224 36.07269 
1 1 1   30    4    7 o   70.784   27.921   19.887   20.162   19.887   20.162   0.0000   0.0000   70.784   27.921  ?   ?  0.000000 27.92059 
1 1 1   30    4    8 o  110.371   18.497   48.974   13.630   74.962   20.006   26.463   18.620  132.815   22.572   75.453   27.486 57.36203 35.56634 
1 1 1   30    4    9 o   46.277   21.242  -2.8740   15.493 -18.6372   18.943   28.976   26.927   42.850   20.748   74.301   31.133 -31.45047 37.41310 
1 1 1   30    4   10 o   61.754   24.465   17.398   15.542   40.276   18.312 -41.5366   29.391   86.813   27.319   45.650   22.787 41.16373 35.57544 
1 1 1   30    4   11 o   45.709   20.283   3.7365   12.793  -9.9175   18.220   17.016   17.968   43.375   20.839   59.424   25.193 -16.04888 32.69423 
1 1 1   30    4   12 o   50.356   21.328   10.590   12.858   3.4570   18.965   16.659   17.493   48.553   22.703   56.455   24.410 -7.902580 33.33575 
1 1 1   30    4   13 o   49.856   21.816   12.004   14.325 -26.9659   24.169   33.106   17.785   40.038   20.084   67.364   26.329 -27.32632 33.11465 
1 1 1   30    4   14 o   62.439   24.201   28.720   14.932   7.8439   25.600   39.484   18.383   46.960   23.037   67.631   26.666 -20.67087 35.23895 
1 1 1   30    4   15 o   36.899   17.892  -1.7555   14.210 -33.8293   27.908   9.4697   16.510  ?   ?    43.058   20.450 0.000000 20.44958 
1 1 1   30    4   16 o   61.596   22.682   33.206   12.729   12.175   18.235   53.191   17.776   40.377   19.731   66.601   26.234 -26.22325 32.82598 
1 1 1   30    6    0 o   67.180   24.312   15.381   14.534   33.842   20.547  -3.1037   20.560   91.822   28.945   57.582   25.624 34.23973 38.65720 
1 1 1   30    6    1 o  150.765   14.820   82.313   15.265   61.525   21.381  103.924   21.800  124.753   25.621  167.204   19.186 -42.45164 32.00777 
1 1 1   30    6    2 o   85.501   24.563   28.926   15.304   36.515   21.252   20.751   22.058   94.418   29.385   77.752   29.598 16.66646 41.70788 
1 1 1   30    6    3 o  111.868   19.370   47.558   14.455   60.780   20.654   34.865   20.236  123.441   25.031   91.970   28.683 31.47186 38.06908 
1 1 1   30    6    4 f  111.965   19.567   48.115   14.611   26.441   21.112   68.039   20.241   81.594   29.333  131.263   23.125 -49.66909 37.35207 
1 1 1   30    6    5 o   69.593   26.312   17.539   17.356   31.864   21.235 -11.2878   30.123   86.203   29.541   62.000   28.864 24.20359 41.30100 
1 1 1   30    6    6 o   36.846   17.749 -16.8695   13.434 -33.8357   19.290  -0.8879   18.722   39.812   19.622   54.183   24.256 -14.37057 31.19905 
1 1 1   30    6    7 o   74.214   22.918   23.383   12.955   32.090   19.031   15.863   17.686   83.494   27.969   65.673   26.072 17.82113 38.23648 
1 1 1   30    6    8 o  174.942   14.363  115.859   17.237  118.542   20.759  109.902   30.935  173.426   17.536  149.437   30.929 23.98891 35.55416 
1 1 1   30    6    9 o   70.179   25.220   23.233   15.606   57.882   18.988 -48.8781   27.393  111.249   25.240   43.442   21.732 67.80701 33.30696 
1 1 1   30    6   10 o   72.493   23.326   25.449   13.292   15.716   18.534   35.758   19.074   60.622   25.637   80.184   27.968 -19.56179 37.94031 
1 1 1   30    6   11 f   89.143   21.940   38.139   13.445   51.241   19.185   25.493   18.848   94.983   27.564   66.486   26.739 28.49704 38.40217 
1 1 1   30    6   12 o   91.125   21.475   41.158   13.323   48.204   19.638   35.149   18.134   85.344   28.408   73.153   27.048 12.19039 39.22554 
1 1 1   30    6   13 o   54.023   22.021   16.482   12.980  -7.4960   18.598   39.252   18.123   41.374   20.154   72.962   27.028 -31.58828 33.71478 
1 1 1   30    6   14 o   43.952   20.448   6.9588   15.078 -47.7073   27.889   29.539   17.924  ?   ?    59.072   25.108 0.000000 25.10778 
1 1 1   30    6   15 f   45.560   20.533   13.775   13.668   13.800   22.751   13.761   17.098   44.776   21.914   45.032   21.213 -0.2567749 30.49965 
1 1 1   30    6   16 o   42.503   19.246   14.159   12.174   18.502   17.768   10.315   16.715   42.697   20.530   39.502   19.212 3.195213 28.11682 
1 1 1   30    8    0 o   52.743   22.380   2.6293   14.201   3.0896   19.902   2.1520   20.269   60.890   26.182   60.659   26.252 0.2311401 37.07637 
1 1 1   30    8    1 o  205.931   12.881  151.649   18.266  164.098   31.325  145.235   22.484  207.987   22.100  199.516   16.429 8.470596 27.53704 
1 1 1   30    8    2 o   84.616   24.394   28.406   15.071   9.7046   21.296   47.167   21.330   67.219   27.886  106.885   28.363 -39.66599 39.77555 
1 1 1   30    8    3 o  107.023   20.663   44.259   14.751   46.901   21.202   41.779   20.537  105.914   28.358   99.981   28.365 5.933060 40.10976 
1 1 1   30    8    4 o  123.313   17.425   57.196   14.457   57.479   21.021   56.942   19.916  117.899   26.416  118.257   25.109 -0.3583832 36.44537 
1 1 1   30    8    5 o   46.663   20.835  -2.3004   13.719 -14.3465   20.344   7.7447   18.578   49.316   23.203   61.062   25.737 -11.74557 34.65212 
1 1 1   30    8    6 f  126.927   17.278   61.802   14.784   65.740   20.578   57.603   21.252  125.047   24.654  114.530   27.213 10.51641 36.71953 
1 1 1   30    8    7 o   65.384   24.919   16.721   15.647   6.8856   19.183   36.273   27.047   58.869   25.508   85.130   32.687 -26.26153 41.46168 
1 1 1   30    8    8 o   35.975   17.430 -16.8897   13.417 -26.3901   19.073  -7.5836   18.877   40.779   19.981   48.449   22.653 -7.670460 30.20557 
1 1 1   30    8    9 o   63.242   23.004   17.641   13.035   23.572   18.407   11.673   18.463   69.748   26.916   59.077   25.305 10.67099 36.94334 
1 1 1   30    8   10 o  102.992   20.058   46.544   13.784   45.430   19.745   47.602   19.251   90.326   28.359   93.844   27.720 -3.518372 39.65654 
1 1 1   30    8   11 o   98.178   20.570   44.471   13.530   28.368   19.355   59.857   18.920   68.551   27.256  106.190   25.961 -37.63821 37.64117 
1 1 1   30    8   12 o   49.696   21.290   10.150   13.073   28.274   19.058  -5.9595   17.968   65.048   26.619   43.073   20.694 21.97468 33.71599 
1 1 1   30    8   13 o   49.497   22.018   11.874   15.167 -28.2683   27.104   30.173   18.300   41.286   20.782   63.294   26.013 -22.00855 33.29562 
1 1 1   30    8   14 o   35.350   17.062  -5.2807   12.566   12.408   17.187 -25.5980   18.420   47.317   21.951   34.180   17.196 13.13614 27.88503 
1 1 1   30    8   15 f   60.465   22.139   26.869   12.102   13.064   16.999   41.056   17.232   44.385   20.982   64.349   25.676 -19.96376 33.15866 
1 1 1   30   10    0 f   49.073   21.748  -2.4333   14.663 -25.3485   20.130   23.471   21.403   45.306   21.800   79.966   29.417 -34.65976 36.61447 
1 1 1   30   10    1 o  115.040   22.658   51.547   17.399   50.807   21.560   52.927   29.461  111.183   28.027  109.834   34.663 1.349113 44.57590 
1 1 1   30   10    2 o  194.342   11.886  134.855   15.911  120.145   22.653  149.176   22.352  179.527   18.497  201.885   16.132 -22.35808 24.54290 
1 1 1   30   10    3 o  169.147   13.065  103.245   15.177   99.278   21.369  107.284   21.559  161.932   19.456  168.891   18.760 -6.958771 27.02743 
1 1 1   30   10    4 o   42.070   19.596  -9.7564   13.915   2.8309   19.997 -21.5726   19.375   59.331   25.873   45.012   21.589 14.31911 33.69739 
1 1 1   30   10    5 o   75.278   25.815   23.208   16.216   38.838   19.460 -12.3024   29.333   94.170   27.885   60.203   28.177 33.96696 39.64226 
1 1 1   30   10    6 o   78.894   26.151   27.007   16.648   42.155   20.682  -0.8678   28.056   95.728   28.838   62.891   28.764 32.83679 40.73098 
1 1 1   30   10    7 o   31.141   15.501 -28.9786   13.205 -27.6208   19.514 -30.1255   17.935   41.446   20.287   38.384   18.919 3.062187 27.73936 
1 1 1   30   10    8 o   67.463   23.332   19.926   13.261   3.9052   19.296   34.265   18.256   55.374   24.719   83.776   27.367 -28.40234 36.87788 
1 1 1   30   10    9 o   72.515   23.155   24.468   13.116   32.758   18.560   16.197   18.539   79.276   27.592   62.504   25.981 16.77221 37.89917 
1 1 1   30   10   10 o   92.488   21.436   39.178   13.453   29.556   18.872   49.121   19.184   72.718   27.450   95.320   27.535 -22.60166 38.88043 
1 1 1   30   10   11 o   97.679   20.855   44.602   13.670   37.568   19.906   50.881   18.806   76.654   28.340   94.262   27.272 -17.60757 39.33084 
1 1 1   30   10   12 o   57.196   23.570   18.171   15.072   31.663   26.092   11.414   18.465   63.244   28.449   52.136   23.647 11.10737 36.99318 
1 1 1   30   10   13 o   38.067   18.108  -3.3539   13.047 -11.6750   18.310   5.2303   18.597   39.321   19.329   46.295   21.904 -6.973373 29.21266 
1 1 1   30   10   14 o   37.291   17.676  -0.7445   12.220   5.9808   16.959  -8.0076   17.624   43.599   20.712   38.294   18.851 5.304630 28.00627 
1 1 1   30   10   15 o   31.825   15.576  -6.9968   11.491   8.0209   15.904 -23.4019   16.623   41.492   19.808   31.523   15.918 9.968819 25.41131 
1 1 1   30   12    0 o   49.533   21.954  -2.2383   14.948 -25.7717   20.667   23.578   21.646   45.796   22.049   79.764   29.540 -33.96800 36.86141 
1 1 1   30   12    1 o  155.611   14.514   88.020   15.451   95.897   21.800   80.069   21.902  159.034   20.266  143.520   22.813 15.51401 30.51461 
1 1 1   30   12    2 o   59.218   23.358   9.6817   14.110   38.821   19.792 -20.4297   20.120   96.401   28.003   46.988   22.390 49.41287 35.85326 
1 1 1   30   12    3 o  222.367   12.044  177.363   18.467  190.178   22.377  150.000   32.697  228.727   14.206  193.693   24.972 35.03423 28.72992 
1 1 1   30   12    4 o  136.507   18.623   71.239   17.136   86.873   20.467   34.590   31.337  149.674   20.280   89.259   34.931 60.41576 40.39130 
1 1 1   30   12    5 o  122.474   20.617   59.489   16.855   66.926   20.811   45.312   28.735  126.789   24.603   96.354   34.266 30.43536 42.18395 
1 1 1   30   12    6 o   41.560   19.312  -7.7145   13.385   12.247   19.859 -24.3294   18.118   64.150   26.796   41.022   19.963 23.12809 33.41501 
1 1 1   30   12    7 o   46.224   20.579  -0.2298   13.278 -13.6106   19.677   10.959   17.992   46.993   22.320   60.533   25.411 -13.53995 33.82149 
1 1 1   30   12    8 o   33.463   16.430 -21.0536   13.104  -1.7025   18.958 -38.7589   18.134   51.294   23.528   35.531   17.761 15.76351 29.47873 
1 1 1   30   12    9 o   99.331   20.892   43.257   13.908   54.101   19.629   32.325   19.708  103.627   27.071   77.426   28.267 26.20112 39.13907 
1 1 1   30   12   10 o   45.224   20.287   1.9274   13.167 -18.6991   18.721   22.120   18.523   41.045   20.044   65.064   26.387 -24.01884 33.13655 
1 1 1   30   12   11 o  125.550   18.792   70.012   15.827   98.732   27.567   55.889   19.331  124.290   31.889   98.605   27.362 25.68507 42.01878 
1 1 1   30   12   12 o   53.656   21.967   14.712   12.986   13.935   18.000   15.556   18.752   53.274   23.821   54.428   24.327 -1.153873 34.04785 
1 1 1   30   12   13 o   40.352   18.794   1.2426   12.793 -24.6086   17.640   29.931   18.582   34.690   17.367   61.688   25.856 -26.99847 31.14716 
1 1 1   30   12   14 o   36.606   17.438  -1.5297   12.190   1.7106   17.367  -4.6760   17.113   41.506   20.039   38.873   19.021 2.633495 27.62927 
1 1 1   30   12   15 o   52.272   21.184   20.929   11.929   24.885   16.447   16.539   17.326   50.640   22.698   45.189   21.308 5.451199 31.13210 
1 1 1   30   14    0 f   45.992   21.158  -8.3367   15.488  -1.8705   20.271 -17.4054   24.006   57.122   25.429   53.652   25.232 3.469631 35.82293 
1 1 1   30   14    1 o   57.230   24.512   3.5804   17.322   3.1198   21.004   4.5600   30.630   61.263   26.618   71.379   31.542 -10.11646 41.27276 
1 1 1   30   14    2 o   82.745   33.795   23.751   30.644   0.0000   0.0000   23.751   30.644  ?   ?    82.745   33.795 0.000000 33.79460 
1 1 1   30   14    3 o  237.446   11.569  201.671   19.013  178.144   22.589  258.829   35.210  220.408   14.896  260.584   19.668 -40.17642 24.67181 
1 1 1   30   14    4 o   44.648   20.809 -10.0385   15.727 -10.4218   18.701  -9.1122   29.070   48.892   22.755   61.376   28.500 -12.48347 36.46967 
1 1 1   30   14    5 o   81.636   22.924   27.884   13.485   36.828   19.543   19.756   18.631   90.396   28.186   71.052   27.165 19.34380 39.14568 
1 1 1   30   14    6 o   56.554   22.504   10.170   13.204   14.227   19.780   6.9086   17.733   65.272   26.959   57.689   24.757 7.583183 36.60250 
1 1 1   30   14    7 o   98.588   20.874   40.763   13.800   66.553   20.209   18.232   18.889  122.752   24.643   67.042   26.836 55.70990 36.43468 
1 1 1   30   14    8 o   55.731   22.732   10.644   13.843   11.762   20.671   9.7337   18.640   60.937   26.442   58.231   25.188 2.706375 36.51844 
1 1 1   30   14    9 o  101.411   20.195   44.731   13.676   37.065   19.694   51.872   19.007   81.927   28.428  101.139   26.744 -19.21169 39.03071 
1 1 1   30   14   10 o   97.818   22.923   45.995   15.248   61.073   27.362   39.203   18.364   91.975   33.348   82.844   27.467 9.130180 43.20278 
1 1 1   30   14   11 o   53.342   22.169   12.778   13.494 -32.2109   18.945   59.106   19.225   36.035   18.034  102.026   26.858 -65.99049 32.35104 
1 1 1   30   14   12 o   37.542   18.232 -10.4080   14.910 -23.3220   24.948  -3.2324   18.597   42.070   20.999   43.909   21.084 -1.839653 29.75752 
1 1 1   30   14   13 o   66.560   22.792   27.406   12.641   29.361   17.366   25.202   18.436   61.731   25.353   57.377   24.934 4.354145 35.55909 
1 1 1   30   14   14 o   42.847   19.411   8.2240   12.400   7.1484   17.428   9.3267   17.645   43.528   20.768   44.599   21.169 -1.070343 29.65546 
1 1 1   30   14   15 o   49.019   20.807   18.907   12.281   27.446   16.617   8.6287   18.231   51.458   22.957   41.088   20.001 10.37028 30.44805 
1 1 1   30   16    0 o   94.779   25.701   37.119   17.284   27.319   20.186   64.049   33.461   82.080   28.764  115.781   36.984 -33.70020 46.85294 
1 1 1   30   16    1 o  226.425   12.004  183.959   18.745  179.187   22.564  194.585   33.674  221.428   14.809  223.853   22.020 -2.425262 26.53622 
1 1 1   30   16    2 o   69.516   25.609   17.840   16.228   13.681   19.611   26.873   28.904   67.535   27.235   83.357   33.255 -15.82178 42.98415 
1 1 1   30   16    3 o   53.909   22.442   5.7321   13.862   21.802   20.216  -8.5284   19.044   75.019   28.389   50.507   23.317 24.51170 36.73654 
1 1 1   30   16    4 o   99.223   20.056   39.179   13.300   44.016   19.588   35.043   18.115   99.926   27.470   89.466   26.998 10.45959 38.51636 
1 1 1   30   16    5 o   55.225   22.180   8.8808   12.950   16.196   19.592   3.2054   17.257   67.516   27.223   54.769   23.955 12.74696 36.26259 
1 1 1   30   16    6 o   81.980   28.860   31.910   20.334   31.910   20.334   0.0000   0.0000   81.980   28.860  ?   ?  0.000000 28.86010 
1 1 1   30   16    7 o   36.081   17.437 -15.8685   13.226  -3.5816   18.477 -28.7791   18.940   50.067   23.061   39.745   19.561 10.32172 30.24011 
1 1 1   30   16    8 o   55.356   23.429   9.4211   15.499   12.633   19.852   4.4063   24.806   60.589   26.101   58.455   26.849 2.134792 37.44527 
1 1 1   30   16    9 o   37.776   18.409 -17.9235   15.564  -1.7137   27.883 -25.2593   18.757   55.691   26.486   39.310   19.370 16.38086 32.81319 
1 1 1   30   16   10 o   46.347   20.602   3.9297   13.256   20.505   18.893 -12.1420   18.604   62.393   26.106   42.881   20.712 19.51176 33.32440 
1 1 1   30   16   11 o   28.434   14.311 -30.2371   12.831 -23.2640   17.610 -38.1279   18.733   36.810   18.252   34.183   17.216 2.627029 25.09058 
1 1 1   30   16   12 o   47.353   21.406   7.9035   14.984   14.546   18.418  -5.1024   25.771   52.636   23.768   46.750   22.971 5.885246 33.05424 
1 1 1   30   16   13 o   37.782   17.875  -1.4479   12.383  -4.5926   16.868   2.2277   18.236   39.957   19.402   43.593   20.918 -3.636024 28.53050 
1 1 1   30   16   14 o   41.704   19.124   7.1840   12.516  -5.2581   17.566   20.012   17.836   38.245   18.826   49.689   22.802 -11.44331 29.56936 
1 1 1   30   16   15 o   36.186   17.541   1.0597   13.629  -9.8939   16.310   26.405   24.810   33.819   16.896   45.241   22.290 -11.42242 27.96954 
1 1 1   30   18    0 o   57.328   24.350   5.2157   16.838   1.1444   19.925   15.390   31.498   57.877   25.515   76.648   32.947 -18.77040 41.67158 
1 1 1   30   18    1 o  109.815   20.590   47.403   15.074   52.264   20.368   41.515   22.415  111.066   26.803   96.678   30.193 14.38801 40.37373 
1 1 1   30   18    2 o   62.353   23.930   13.038   14.491   20.093   20.517   6.0143   20.471   73.401   28.392   61.505   26.500 11.89688 38.83749 
1 1 1   30   18    3 o   74.743   23.845   23.037   13.912   24.170   19.985   21.972   19.379   76.626   28.383   74.187   27.856 2.438606 39.76865 
1 1 1   30   18    4 o   78.477   22.979   25.845   13.280   29.678   19.270   22.378   18.327   81.707   28.134   73.509   27.190 8.198387 39.12514 
1 1 1   30   18    5 f   55.729   22.349   9.4927   13.126   24.828   19.085  -4.2736   18.082   75.171   27.758   50.341   23.049 24.82947 36.07987 
1 1 1   30   18    6 o   50.202   21.450   4.6064   13.207   3.3270   18.387   5.9702   18.983   54.830   24.323   57.241   25.079 -2.411629 34.93661 
1 1 1   30   18    7 o  135.139   16.522   72.025   15.132   53.446   19.520  100.000   23.953  105.905   26.652  150.446   23.795 -44.54149 35.72887 
1 1 1   30   18    8 o   48.445   22.460  -2.9840   17.949   37.678   27.186 -34.4049   23.898   78.717   31.953   42.945   21.288 35.77187 38.39500 
1 1 1   30   18    9 o   55.142   24.461   9.1265   18.593  -4.9512   27.929   20.332   24.917   53.908   25.872   64.312   28.433 -10.40441 38.44225 
1 1 1   30   18   10 o   82.238   24.169   35.452   14.667   26.896   18.384   50.439   24.330   67.527   26.653   83.896   31.269 -16.36918 41.08694 
1 1 1   30   18   11 o   60.938   25.487   22.743   17.997   26.083   25.002   19.151   25.926   61.248   27.672   57.705   26.835 3.542805 38.54676 
1 1 1   30   18   12 o   34.149   16.687 -12.0137   13.043   11.283   18.026 -37.6067   18.894   49.945   22.921   33.336   16.848 16.60896 28.44730 
1 1 1   30   18   13 f   58.399   22.686   22.865   13.142   14.820   17.804   32.496   19.481   49.273   22.674   60.235   25.902 -10.96170 34.42429 
1 1 1   30   18   14 o   35.978   17.512  -3.9142   13.966   5.4538   17.331 -21.2683   23.588   41.675   20.096   37.041   18.730 4.633850 27.47058 
1 1 1   30   18   15 o   36.636   17.532   3.9520   12.619   8.2356   17.754  -0.4214   17.939   39.537   19.352   36.764   18.262 2.772575 26.60805 
1 1 1   30   20    0 o  163.595   13.586   97.996   15.244   67.557   20.730  133.835   22.494  128.230   24.247  188.113   17.477 -59.88283 29.88902 
1 1 1   30   20    1 f   73.847   24.650   22.286   14.781   16.627   20.475   28.444   21.361   69.788   27.939   81.536   29.480 -11.74805 40.61585 
1 1 1   30   20    2 o  235.887   9.8092  198.177   16.015  199.924   23.069  196.551   22.249  232.795   14.389  231.228   13.968 1.567001 20.05331 
1 1 1   30   20    3 f  139.070   15.174   72.582   14.368   57.347   20.619   86.963   20.033  114.680   26.509  148.329   20.026 -33.64973 33.22296 
1 1 1   30   20    4 o   55.851   22.491   9.2640   13.355  -0.5758   19.191   18.503   18.596   54.099   24.361   68.860   26.920 -14.76057 36.30588 
1 1 1   30   20    5 o   97.391   20.436   39.144   13.336   31.332   19.613   45.861   18.187   81.417   28.363  100.694   25.937 -19.27736 38.43449 
1 1 1   30   20    6 o   73.479   24.396   24.395   14.486   39.156   18.822   2.9483   22.688   89.700   27.611   57.833   26.223 31.86714 38.07935 
1 1 1   30   20    7 o  110.520   24.524   56.196   18.269  103.707   27.721   19.722   24.289  145.174   28.607   67.547   28.981 77.62672 40.72187 
1 1 1   30   20    8 o   63.454   24.312   18.693   14.943   19.792   18.896   16.859   24.414   64.716   26.497   63.625   28.136 1.090649 38.64845 
1 1 1   30   20    9 o   65.468   26.709   23.079   19.114   23.079   19.114   0.0000   0.0000   65.468   26.709  ?   ?  0.000000 26.70872 
1 1 1   30   20   10 o   82.294   24.129   36.069   14.634   46.542   17.911   15.039   25.381   89.786   26.790   57.860   26.784 31.92600 37.88199 
1 1 1   30   20   11 o   41.230   19.444  -2.4520   14.439 -14.9323   17.809   21.488   24.666   39.119   19.196   57.876   26.653 -18.75744 32.84634 
1 1 1   30   20   12 o   52.655   22.686   16.231   15.000   18.555   17.932   10.820   27.370   53.864   23.952   50.535   24.579 3.328724 34.31943 
1 1 1   30   20   13 o  ?   ?  -42.0644   16.427 -42.0644   16.427   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   30   20   14 o   32.625   15.978  -7.1402   12.159  -1.0351   16.384 -14.6249   18.141   38.118   18.643   34.951   17.514 3.166496 25.57957 
1 1 1   30   22    0 o   87.303   23.355   31.964   14.388   21.756   20.030   42.846   20.681   73.741   28.173   97.251   28.732 -23.51051 40.24004 
1 1 1   30   22    1 o   68.378   24.384   18.625   14.561 -18.1563   20.427   56.628   20.763   47.053   22.459  113.865   26.793 -66.81277 34.96120 
1 1 1   30   22    2 o   79.570   28.595   27.987   20.061   0.0000   0.0000   27.987   20.061  ?   ?    79.570   28.595 0.000000 28.59509 
1 1 1   30   22    3 o   59.650   23.144   12.394   13.666   21.368   19.893   4.3744   18.807   72.101   27.937   57.032   24.975 15.06907 37.47325 
1 1 1   30   22    4 o  103.446   19.872   43.539   13.711   42.054   19.782   44.913   19.020   94.355   28.154   98.753   27.037 -4.397835 39.03409 
1 1 1   30   22    5 o  173.429   16.769  117.257   19.876   0.0000   0.0000  117.257   19.876  ?   ?   173.429   16.769 0.000000 16.76854 
1 1 1   30   22    6 o   46.434   21.778  -7.7878   17.679 -22.6293   27.623   2.5083   23.008   50.846   24.722   57.136   26.099 -6.290073 35.94904 
1 1 1   30   22    7 f   54.019   22.945   8.7600   14.951   11.863   19.377   4.1946   23.504   59.321   25.670   57.043   26.176 2.277599 36.66293 
1 1 1   30   22    8 o   48.742   21.624   4.0992   14.534   0.5821   18.376   9.9756   23.753   49.905   22.991   58.554   26.658 -8.649391 35.20290 
1 1 1   30   22    9 o   39.191   18.792 -10.1242   14.659 -17.8411   19.103   0.9288   22.862   41.244   20.163   51.830   24.450 -10.58632 31.69171 
1 1 1   30   22   10 o   81.468   28.624   44.290   19.996   0.0000   0.0000   44.290   19.996  ?   ?    81.468   28.624 0.000000 28.62381 
1 1 1   30   22   11 o   57.016   24.804   20.212   18.282   20.212   18.282   0.0000   0.0000   57.016   24.804  ?   ?  0.000000 24.80361 
1 1 1   30   22   12 o   41.669   19.705   1.0220   15.017  -1.9456   17.573   9.0537   28.910   41.934   20.224   49.309   24.248 -7.375008 31.57512 
1 1 1   30   22   13 o   42.512   19.822   6.5055   14.294  -1.2418   16.231   33.278   30.172   39.567   19.170   52.136   25.457 -12.56923 31.86749 
1 1 1   30   22   14 o   33.310   16.413  -7.3061   13.461  -7.6947   15.622  -6.1854   26.530   34.765   17.229   39.435   19.933 -4.670116 26.34743 
1 1 1   30   24    0 o   97.558   22.497   39.795   14.880   49.568   20.565   29.057   21.557  104.382   27.921   80.223   29.521 24.15884 40.63358 
1 1 1   30   24    1 o   62.914   23.825   14.802   14.246   16.520   20.476   13.191   19.833   68.005   27.682   64.812   26.901 3.193062 38.60020 
1 1 1   30   24    2 o   66.223   23.935   17.744   14.079   12.880   20.011   22.513   19.813   64.333   26.888   72.910   27.980 -8.576897 38.80574 
1 1 1   30   24    3 o   70.790   23.850   21.501   13.840   28.823   19.261   13.684   19.900   78.895   28.054   64.391   26.854 14.50345 38.83525 
1 1 1   30   24    4 o   77.118   23.829   26.446   14.004   34.665   20.244   18.904   19.392   84.043   28.841   67.913   27.189 16.12983 39.63697 
1 1 1   30   24    5 o  123.525   19.616   62.913   16.210  103.805   30.763   47.196   19.072  141.538   32.137   99.032   27.057 42.50620 42.01092 
1 1 1   30   24    6 o  167.128   22.079  121.561   24.914   0.0000   0.0000  121.561   24.914  ?   ?   167.128   22.079 0.000000 22.07947 
1 1 1   30   24    7 o   56.400   23.286   12.077   14.749   51.441   19.039 -47.0049   23.325  100.475   26.861   39.038   19.603 61.43629 33.25325 
1 1 1   30   24    8 o   93.788   23.300   42.550   15.057   24.312   19.137   72.195   24.398   66.860   26.924  110.623   30.754 -43.76256 40.87438 
1 1 1   30   24    9 o   35.453   17.128 -11.6766   12.741  -4.8859   17.886 -18.6712   18.153   44.833   21.290   39.522   19.391 5.310734 28.79699 
1 1 1   30   24   10 o  101.510   23.507   53.951   16.190   79.057   19.592  -0.1116   28.750  123.261   23.828   51.217   24.973 72.04376 34.51677 
1 1 1   30   24   11 o   35.432   17.073  -7.7829   12.455 -17.6273   17.095   3.3565   18.184   36.729   18.171   45.916   21.704 -9.186462 28.30635 
1 1 1   30   24   12 o   36.633   17.814  -7.3645   14.359   11.550   17.393 -47.8439   25.445   47.789   22.140  ?   ?  0.000000 22.13977 
1 1 1   30   24   13 o   32.358   15.956 -10.9524   12.804  -2.6485   17.605 -20.2772   18.656   39.157   19.188   34.728   17.450 4.428967 25.93627 
1 1 1   30   24   14 o   31.210   15.435  -8.8524   12.301 -24.1736   16.251   11.706   18.825   30.378   15.380   41.782   20.336 -11.40334 25.49696 
1 1 1   30   26    0 o  114.935   19.173   52.906   14.714   46.087   20.246   60.539   21.422   99.107   28.180  115.361   27.262 -16.25362 39.20935 
1 1 1   30   26    1 o   59.937   23.616   12.641   14.410   27.118   20.212  -2.3245   20.549   76.979   28.537   53.990   24.663 22.98917 37.71825 
1 1 1   30   26    2 o   96.237   23.084   40.045   15.178   29.853   21.190   50.784   21.751   79.172   29.246  102.270   29.254 -23.09846 41.36544 
1 1 1   30   26    3 o   73.322   24.311   23.971   14.386   41.245   21.215   9.2654   19.574   90.669   29.496   59.903   25.861 30.76657 39.22799 
1 1 1   30   26    4 o  111.078   22.016   53.072   16.327   60.049   29.381   49.955   19.638  100.448   34.730  101.857   27.302 -1.409126 44.17654 
1 1 1   30   26    5 o   57.600   22.717   12.742   13.345   8.4053   18.796   17.151   18.950   57.200   25.010   64.233   26.444 -7.032581 36.39752 
1 1 1   30   26    6 o   63.579   24.288   18.405   14.885   2.5242   19.081   43.093   23.792   52.579   23.921   85.178   31.063 -32.59869 39.20640 
1 1 1   30   26    7 o   42.360   19.756  -4.5576   14.212  -2.8848   18.677  -6.8585   21.905   48.198   22.535   49.192   23.418 -0.9937935 32.49942 
1 1 1   30   26    8 o   41.824   19.367  -2.3762   13.287   1.5702   18.747  -6.3587   18.833   49.481   22.945   45.603   21.711 3.878201 31.58874 
1 1 1   30   26    9 o   49.198   21.114   8.7959   12.899   6.3105   17.803   11.543   18.716   50.129   22.922   53.816   24.161 -3.687386 33.30383 
1 1 1   30   26   10 o   36.436   17.471  -7.4083   12.672   19.026   17.290 -38.0812   18.625   56.927   24.439   33.525   16.919 23.40215 29.72385 
1 1 1   30   26   11 o   68.107   24.208   30.121   14.340   40.930   17.539   8.3317   24.902   74.871   26.755   49.312   23.855 25.55899 35.84533 
1 1 1   30   26   12 o   47.187   20.383   12.201   12.173   12.308   16.272   12.065   18.344   47.282   21.728   47.275   22.176 0.7175446E-02 31.04631 
1 1 1   30   26   13 o   45.761   20.211   13.465   12.560   6.2537   17.221   21.660   18.359   41.683   20.083   49.125   22.754 -7.442192 30.34878 
1 1 1   30   28    0 o   81.778   24.420   30.091   14.878   49.144   20.933   10.641   21.150  100.585   28.673   62.131   26.853 38.45447 39.28367 
1 1 1   30   28    1 o  217.027   11.019  171.824   16.496  154.098   23.373  189.420   23.286  198.382   17.193  222.855   15.188 -24.47224 22.94033 
1 1 1   30   28    2 o  117.600   22.294   59.249   17.481   44.932   32.852   64.905   20.647   86.791   35.162  119.389   25.745 -32.59865 43.57923 
1 1 1   30   28    3 o  136.102   18.827   75.414   17.260   68.390   31.389   78.458   20.664  105.209   35.916  134.086   23.100 -28.87749 42.70370 
1 1 1   30   28    4 o   43.289   19.940  -4.0048   13.814   30.684   19.386 -39.7920   19.690   77.487   28.073   37.129   18.552 40.35764 33.64959 
1 1 1   30   28    5 o   48.767   21.244   4.4383   13.448   26.612   18.954 -18.0390   19.084   72.079   27.437   42.783   20.743 29.29597 34.39560 
1 1 1   30   28    6 o   62.131   24.070   17.881   14.764   27.254   18.627   2.0468   24.212   71.348   27.190   55.160   25.745 16.18764 37.44492 
1 1 1   30   28    7 f   68.710   24.323   24.351   14.462   22.998   18.533   26.459   23.126   65.466   26.449   67.357   28.570 -1.890808 38.93310 
1 1 1   30   28    8 o   34.701   16.868 -13.5749   12.844 -27.4513   18.030   0.7242   18.302   36.593   18.198   47.960   22.384 -11.36693 28.84864 
1 1 1   30   28    9 f   55.411   22.232   15.563   12.996   14.545   18.275   16.605   18.486   54.739   24.268   56.209   24.684 -1.470295 34.61549 
1 1 1   30   28   10 o   62.547   24.056   24.566   14.665   22.054   17.525   30.434   26.787   58.154   24.775   59.871   27.645 -1.717106 37.12154 
1 1 1   30   28   11 o   62.518   23.585   26.153   13.925   32.022   16.588   12.141   25.628   65.131   25.435   49.584   24.039 15.54753 34.99756 
1 1 1   30   28   12 o   34.796   16.792  -4.7037   12.159  -8.5704   16.356   0.0743   18.181   36.843   18.141   41.064   19.986 -4.220463 26.99188 
1 1 1   30   28   13 o   48.508   20.752   17.673   12.390   22.033   17.327   13.111   17.725   48.371   22.299   43.642   20.856 4.728970 30.53199 
1 1 1   30   30    0 o   82.287   24.701   31.362   15.193   14.440   21.659   47.754   21.317   64.094   27.429   96.720   29.309 -32.62606 40.14225 
1 1 1   30   30    1 o   56.864   24.488   8.5089   17.460   18.015   31.693   4.3667   20.921   69.687   31.350   56.719   25.498 12.96782 40.40974 
1 1 1   30   30    2 o   64.780   25.885   17.825   17.539  -4.6551   31.175   28.235   21.215   59.325   28.153   74.828   28.891 -15.50302 40.33965 
1 1 1   30   30    3 o   85.255   23.268   33.373   14.113   46.134   18.963   17.529   21.130   96.081   27.256   64.935   27.413 31.14547 38.65676 
1 1 1   30   30    4 o   63.171   23.436   17.953   13.637   17.359   18.408   18.675   20.302   63.208   26.047   64.733   27.071 -1.524967 37.56752 
1 1 1   30   30    5 f   85.473   22.053   33.709   13.132   31.891   18.459   35.572   18.688   76.665   27.442   80.693   27.710 -4.027718 38.99871 
1 1 1   30   30    6 o   75.970   25.153   30.233   15.403   14.694   19.218   58.146   25.757   59.032   25.555   93.072   32.498 -34.03990 41.34254 
1 1 1   30   30    7 o   53.884   22.807   11.830   14.687   1.3688   18.594   29.185   23.950   48.952   22.752   67.464   28.857 -18.51220 36.74734 
1 1 1   30   30    8 o   44.912   20.488   2.4806   14.118  -2.8019   17.911   11.146   22.940   45.135   21.396   54.648   25.356 -9.513504 33.17652 
1 1 1   30   30    9 o   38.596   18.663  -9.1625   15.206  -9.1173   17.833  -9.2829   29.108   41.167   19.980   47.973   23.729 -6.805401 31.02079 
1 1 1   30   30   10 o   50.639   21.276   13.492   12.631   17.911   17.122   8.2179   18.708   53.819   23.692   47.992   22.475 5.826683 32.65654 
1 1 1   30   30   11 o   26.119   13.234 -30.9776   12.193 -16.6408   16.028 -50.6680   18.784   34.665   17.226  ?   ?  0.000000 17.22617 
1 1 1   30   30   12 o   32.786   16.065  -8.3506   12.332 -31.1525   17.542   13.927   17.340   31.325   15.872   46.042   21.586 -14.71640 26.79281 
1 1 1   30   30   13 o   59.795   23.715   34.117   14.619   39.205   25.364   31.586   17.890   48.984   23.787   51.877   23.425 -2.892792 33.38504 
1 1 1   30   32    0 o   56.449   25.339   5.6349   20.579   0.0000   0.0000   5.6349   20.579  ?   ?    56.449   25.339 0.000000 25.33928 
1 1 1   30   32    1 o   58.520   24.581   12.039   16.854   57.756   30.835  -7.4399   20.127   93.395   35.124   48.806   22.999 44.58882 41.98360 
1 1 1   30   32    2 o   77.034   23.901   28.115   14.072   24.860   18.868   32.195   21.124   70.580   27.248   77.094   29.056 -6.513947 39.83347 
1 1 1   30   32    3 o   35.889   17.442 -16.4828   13.709  -2.0243   18.718 -33.2088   20.133   49.530   22.954   38.945   19.345 10.58526 30.01854 
1 1 1   30   32    4 o   46.878   21.006   2.0229   14.076   10.658   19.611  -7.1531   20.215   57.377   25.303   47.893   22.711 9.483906 34.00019 
1 1 1   30   32    5 o   40.781   19.029  -4.5972   13.212  -3.0020   18.566  -6.2341   18.807   47.692   22.352   46.330   21.952 1.361195 31.32826 
1 1 1   30   32    6 o   42.238   19.877  -4.9126   14.944  -7.6024   19.271  -0.8561   23.666   45.386   21.705   51.530   24.476 -6.143650 32.71365 
1 1 1   30   32    7 o   72.848   26.132   31.614   16.746   43.063   22.945   18.566   24.496   77.172   29.976   59.326   27.034 17.84568 40.36572 
1 1 1   30   32    8 o   89.668   24.003   43.785   15.192   47.364   18.003   34.937   28.310   87.394   27.021   64.511   29.267 22.88316 39.83324 
1 1 1   30   32    9 o   41.393   18.998   2.0591   12.386   8.9206   17.687  -4.5454   17.352   48.907   22.540   41.963   20.204 6.943619 30.26960 
1 1 1   30   32   10 o   62.107   22.547   24.067   12.514   24.927   16.655   22.953   18.965   58.373   24.473   55.457   24.647 2.916039 34.73352 
1 1 1   30   32   11 o   51.664   21.290   17.293   12.298   6.8552   16.176   31.592   18.932   43.562   20.555   58.272   25.295 -14.71009 32.59331 
1 1 1   30   32   12 o   50.048   21.938   20.670   14.541   44.780   23.866   6.4356   18.338   55.837   25.891   41.473   20.160 14.36340 32.81408 
1 1 1   30   34    0 o   61.314   25.559   15.678   18.014   1.0580   31.769   22.606   21.870   59.678   28.350   67.647   28.177 -7.969715 39.97086 
1 1 1   30   34    1 o   75.456   24.556   27.962   14.704   34.284   20.496   21.258   21.107   78.422   28.796   66.306   27.655 12.11536 39.92543 
1 1 1   30   34    2 o   56.893   23.112   12.971   14.236   14.451   19.491   11.280   20.843   60.247   25.908   58.591   25.949 1.656509 36.66819 
1 1 1   30   34    3 o  115.401   19.364   57.391   14.918   43.301   20.518   73.193   21.729   86.657   29.041  120.079   26.822 -33.42194 39.53257 
1 1 1   30   34    4 o   36.975   17.794 -11.8891   13.422 -13.8101   18.692  -9.8447   19.284   42.828   20.705   45.071   21.596 -2.243557 29.91838 
1 1 1   30   34    5 o   36.047   17.396 -11.9783   13.052 -33.4370   18.966   7.3296   17.990   36.389   18.186   52.344   23.577 -15.95525 29.77578 
1 1 1   30   34    6 o   40.078   18.823  -4.2410   13.286   10.241   18.665 -19.1176   18.918   53.485   24.060   40.011   19.664 13.47377 31.07344 
1 1 1   30   34    7 o   41.593   20.132  -9.6568   17.793  -9.6568   17.793   0.0000   0.0000   41.593   20.132  ?   ?  0.000000 20.13152 
1 1 1   30   34    8 o   46.178   20.266   7.5591   12.444   8.3367   17.701   6.7995   17.496   49.156   22.616   48.180   22.280 0.9762421 31.74708 
1 1 1   30   34    9 o   51.088   21.419   14.155   12.758  -4.9019   17.403   36.290   18.756   41.097   19.896   67.761   26.866 -26.66395 33.43109 
1 1 1   30   34   10 o   74.416   22.720   34.012   12.775   35.123   17.361   32.699   18.866   65.298   25.861   60.996   25.834 4.302502 36.55361 
1 1 1   30   34   11 o   49.261   21.756   17.584   14.552   19.629   23.793   16.362   18.393   47.895   23.206   47.357   22.212 0.5371933 32.12303 
1 1 1   30   34   12 o   33.074   16.102  -3.7173   11.826   7.5049   15.475 -19.4669   18.333   40.116   19.255   33.020   16.679 7.096127 25.47435 
1 1 1   30   36    0 o   43.878   20.565  -5.1624   15.717 -14.6766   22.654   3.6665   21.823   46.836   22.681   54.076   24.963 -7.240288 33.72778 
1 1 1   30   36    1 o  106.052   25.301   55.947   18.311   36.385   31.627   65.811   22.459   72.988   32.163  109.048   29.182 -36.05963 43.42850 
1 1 1   30   36    2 o   63.558   24.082   19.889   14.559   14.274   20.240   25.910   20.959   59.087   25.891   67.996   27.880 -8.909542 38.04809 
1 1 1   30   36    3 o   39.456   18.772  -8.4012   14.034   6.7167   19.194 -25.7671   20.572   53.126   24.101   40.525   20.028 12.60035 31.33613 
1 1 1   30   36    4 o   78.387   24.224   32.242   14.471   35.832   20.123   28.395   20.826   75.563   28.383   68.153   27.850 7.410591 39.76477 
1 1 1   30   36    5 o   35.300   17.162 -13.5105   13.308 -28.1748   18.972   0.6936   18.672   37.312   18.574   47.955   22.456 -10.64272 29.14207 
1 1 1   30   36    6 o   36.989   18.090 -15.0724   15.419 -16.7294   18.062 -10.6195   29.609   39.316   19.300   49.167   24.248 -9.851578 30.99144 
1 1 1   30   36    7 o   50.851   22.141   11.732   14.593   13.736   18.218   8.1415   24.380   53.000   23.812   51.566   24.592 1.433689 34.23135 
1 1 1   30   36    8 o   40.604   18.719   1.6144   12.213   20.284   17.635 -15.5919   16.930   55.870   24.333   37.085   18.298 18.78566 30.44485 
1 1 1   30   36    9 o   45.262   20.062   8.9182   12.482  -1.2524   17.096   20.531   18.268   41.597   20.034   53.636   23.989 -12.03807 31.25426 
1 1 1   30   36   10 o   49.484   22.150   16.829   15.608   24.561   27.829   13.281   18.853   50.305   24.537   46.995   22.179 3.310547 33.07565 
1 1 1   30   36   11 o   38.647   18.190   4.2686   12.521  -4.3181   17.535   13.202   17.885   37.420   18.493   44.257   21.094 -6.836662 28.05244 
1 1 1   30   38    0 o   56.706   23.597   13.987   15.318   14.853   21.105   13.024   22.267   58.931   26.105   58.135   26.203 0.7963791 36.98772 
1 1 1   30   38    1 o   46.672   22.407  -8.5380   20.984 -34.0000   28.564   21.312   30.928   45.270   22.577   63.477   29.448 -18.20677 37.10651 
1 1 1   30   38    2 o   56.205   23.336   14.090   14.932   21.501   21.417   7.0808   20.830   62.767   27.075   53.581   24.608 9.186382 36.58662 
1 1 1   30   38    3 o   84.604   23.703   36.911   14.434   30.719   19.539   44.349   21.416   70.222   27.554   81.786   29.526 -11.56358 40.38557 
1 1 1   30   38    4 o   50.720   21.983   9.5474   14.255  -4.7667   19.869   24.732   20.464   46.064   22.032   63.449   26.892 -17.38559 34.76445 
1 1 1   30   38    5 o   48.893   22.101   6.9617   15.973   3.2601   18.783   16.634   30.362   48.317   22.593   57.396   27.392 -9.078453 35.50690 
1 1 1   30   38    6 o   40.338   18.891  -1.6769   13.220  -7.3099   18.443   4.2760   18.960   42.405   20.518   47.928   22.502 -5.522522 30.45193 
1 1 1   30   38    7 o   55.965   23.306   18.874   14.957   0.4377   18.891   49.854   24.488   44.945   21.493   72.666   30.004 -27.72151 36.90770 
1 1 1   30   38    8 o   31.570   15.594 -15.1826   12.419 -21.6576   18.083  -9.4021   17.086   35.725   17.840   38.689   18.947 -2.963730 26.02401 
1 1 1   30   38    9 o   39.947   19.137  -0.1712   15.123   17.376   27.432  -7.8318   18.126   49.276   24.105   38.866   19.130 10.41064 30.77366 
1 1 1   30   38   10 o   32.544   15.976  -8.7816   12.373 -25.8891   17.342   8.9517   17.657   32.154   16.239   43.376   20.752 -11.22179 26.35095 
1 1 1   30   38   11 o   42.995   19.546   12.701   12.710   1.7271   17.661   24.493   18.307   38.177   18.808   47.649   22.288 -9.472824 29.16365 
1 1 1   30   40    0 o  101.052   22.790   50.253   15.559   41.681   21.446   59.778   22.608   78.689   29.351   95.954   30.373 -17.26511 42.23806 
1 1 1   30   40    1 f   37.758   18.568 -19.4266   16.948  -2.0229   28.481 -28.9682   21.088   52.449   25.407   39.340   19.583 13.10964 32.07851 
1 1 1   30   40    2 f   51.539   22.348   10.220   14.745  -0.6030   21.377   20.042   20.364   48.918   23.243   60.037   26.147 -11.11864 34.98466 
1 1 1   30   40    3 o   88.303   23.890   41.482   14.954   45.566   21.301   37.513   20.999   80.480   29.387   73.023   28.590 7.456886 40.99940 
1 1 1   30   40    4 o   46.797   21.606   3.7531   16.359  -7.3002   19.798   27.541   29.045   44.024   21.290   61.095   28.409 -17.07047 35.50102 
1 1 1   30   40    5 o   41.274   19.607  -3.3422   15.193   3.5626   19.164 -15.0244   24.927   47.543   22.415   44.296   21.919 3.247051 31.35086 
1 1 1   30   40    6 o   45.540   20.401   6.9588   13.268 -12.7219   19.479   23.992   18.122   40.437   19.889   59.012   25.168 -18.57428 32.07808 
1 1 1   30   40    7 o   46.794   21.311   9.0644   15.195   6.6164   19.413   12.937   24.416   46.785   22.206   50.355   24.173 -3.569382 32.82488 
1 1 1   30   40    8 o   42.570   20.020   4.2966   15.115   18.102   29.842  -0.4679   17.531   50.011   24.602   41.551   20.079 8.460155 31.75556 
1 1 1   30   40    9 o   46.897   22.039   14.720   18.262   0.0000   0.0000   14.720   18.262  ?   ?    46.897   22.039 0.000000 22.03927 
1 1 1   30   40   10 o   36.521   17.489   1.1633   12.603  -6.5891   17.731   9.0780   17.916   36.385   18.087   41.839   20.238 -5.454021 27.14280 
1 1 1   30   42    0 o   47.849   20.616   8.0981   12.389 -13.6683   27.580   13.601   13.867   47.453   23.403   53.675   22.404 -6.222748 32.39768 
1 1 1   30   42    1 o   39.916   19.100  -7.0166   14.967 -17.7661   21.191   3.6853   21.144   41.810   20.599   49.787   23.495 -7.976852 31.24621 
1 1 1   30   42    2 o   46.053   22.214  -4.5333   21.218 -27.0146   27.996   25.805   32.522   44.060   22.031   59.952   28.539 -15.89153 36.05325 
1 1 1   30   42    3 o   58.859   25.055   21.234   17.898   12.429   22.106   37.990   30.494   53.265   24.773   64.119   29.567 -10.85332 38.57384 
1 1 1   30   42    4 o   35.333   17.401 -16.3353   15.072  -9.3317   24.240 -20.7499   19.245   45.131   22.196   38.230   18.977 6.901852 29.20239 
1 1 1   30   42    5 o   61.022   22.905   22.476   13.101   15.629   18.989   28.694   18.097   52.657   23.920   62.670   25.826 -10.01269 35.20149 
1 1 1   30   42    6 o   42.223   19.420   3.8957   13.036   28.257   19.640 -15.2894   17.429   59.316   25.756   37.109   18.357 22.20744 31.62802 
1 1 1   30   42    7 o   40.789   19.116   2.5062   13.576  -6.7379   19.903   10.550   18.566   40.734   20.049   47.071   22.153 -6.336777 29.87794 
1 1 1   30   42    8 o  ?   ?  -42.7616   14.581 -35.8293   18.337 -54.6829   24.046   31.471   15.975  ?   ?  0.000000 15.97515 
1 1 1   30   42    9 o   37.355   17.789   1.8599   12.661 -17.3307   18.001   20.645   17.810   34.116   17.143   48.094   22.324 -13.97792 28.14694 
1 1 1   30   44    0 o   34.796   16.758  -8.6989   11.960   51.317   26.569 -23.9504   13.394   74.006   30.961   30.746   15.354 43.25923 34.55884 
1 1 1   30   44    1 o   50.039   20.976   11.562   12.233   16.288   27.512   10.398   13.657   54.974   26.191   49.316   21.446 5.658089 33.85105 
1 1 1   30   44    2 o   33.053   16.315 -17.1191   13.508   8.0439   27.275 -25.2957   15.548   51.565   24.950   32.987   16.483 18.57769 29.90255 
1 1 1   30   44    3 o   41.655   19.490   0.4185   14.015  -8.0587   20.429   7.9559   19.263   42.715   20.876   48.757   22.824 -6.042526 30.93138 
1 1 1   30   44    4 o   43.564   19.978   4.5919   13.661   0.1128   19.475   8.9302   19.167   44.593   21.454   48.473   22.715 -3.879829 31.24486 
1 1 1   30   44    5 f   80.418   22.919   37.920   13.376   34.354   19.438   41.127   18.434   63.776   26.565   71.721   27.116 -7.945175 37.96022 
1 1 1   30   44    6 o   39.544   18.601   1.1497   13.060  -1.0517   18.756   3.2213   18.195   42.007   20.412   43.473   20.869 -1.466125 29.19177 
1 1 1   30   44    7 o   45.836   20.452   11.809   13.194   17.617   19.537   6.9387   17.890   48.758   22.876   43.652   20.886 5.106823 30.97625 
1 1 1   30   44    8 o   37.423   18.106  -0.4451   14.360  -5.4034   17.951   8.3659   23.930   37.551   18.585   43.192   21.391 -5.641171 28.33726 
1 1 1   30   46    0 o   27.296   13.736 -26.3162   11.786 -25.9268   23.559 -26.4462   13.612   39.769   19.933   29.900   15.009 9.868538 24.95169 
1 1 1   30   46    1 o   29.199   14.685 -27.5845   13.370 -47.6439   27.052 -21.1007   15.380   38.036   19.317   33.631   16.739 4.405186 25.56017 
1 1 1   30   46    2 o   68.270   22.586   27.518   12.420   27.537   27.512   27.513   13.919   56.484   26.699   65.584   23.784 -9.099548 35.75621 
1 1 1   30   46    3 o   43.353   20.406   3.0205   15.763   10.239   26.377  -0.9895   19.660   49.572   24.115   43.650   21.136 5.922241 32.06659 
1 1 1   30   46    4 o   46.150   21.231   9.0519   15.597   57.073   28.406 -11.6739   18.661   66.721   29.873   38.754   19.138 27.96683 35.47743 
1 1 1   30   46    5 o   33.332   16.353 -10.6924   12.908 -36.6307   18.002   16.757   18.519   31.494   15.970   49.805   22.993 -18.31106 27.99490 
1 1 1   30   46    6 o   41.843   19.710   5.5964   14.760 -15.8878   24.271   18.203   18.592   39.200   19.724   48.980   22.760 -9.779854 30.11724 
1 1 1   30   46    7 o   34.381   16.743  -4.7255   12.811 -21.8248   18.281   11.775   17.958   33.449   16.866   43.985   21.012 -10.53672 26.94407 
1 1 1   30   48    0 o   79.401   24.186   39.668   14.488   40.054   24.268   39.454   18.060   62.449   27.811   70.381   26.784 -7.932095 38.61128 
1 1 1   30   48    1 o   33.347   16.232  -9.2666   11.999 -13.5171   25.796  -8.0931   13.554   42.464   21.220   35.692   17.345 6.772133 27.40720 
1 1 1   30   48    2 f   32.823   15.977  -9.0217   11.625 -20.8098   25.468  -5.9194   13.065   40.427   20.324   35.980   17.374 4.447151 26.73742 
1 1 1   30   48    3 o   32.946   16.399 -17.7138   14.773  -6.4293   26.490 -22.8077   17.798   43.355   21.641   34.434   17.268 8.920658 27.68609 
1 1 1   30   48    4 o   36.723   17.603  -2.4349   12.840 -41.4293   28.578   7.4276   14.373  ?   ?    43.275   20.076 0.000000 20.07554 
1 1 1   30   48    5 o   32.070   15.805 -10.7709   12.508   0.0000   0.0000 -10.7709   12.508  ?   ?    32.070   15.805 0.000000 15.80529 
1 1 1   30   48    6 o   30.249   15.089 -15.0939   12.791 -13.7108   18.009 -16.5021   18.172   35.007   17.529   34.414   17.284 0.5928993 24.61681 
1 1 1   30   50    0 o   44.554   20.106   9.3951   13.156   0.9849   24.501   12.802   15.595   44.005   21.767   47.169   21.524 -3.163891 30.61184 
1 1 1   30   50    1 o   32.038   15.754 -11.1669   12.193  -5.8341   25.409 -12.7623   13.898   42.371   21.157   33.336   16.472 9.034836 26.81326 
1 1 1   30   50    2 o   43.614   20.873   6.8443   17.896   37.317   24.770 -26.4342   25.885   55.789   26.039   38.178   19.337 17.61117 32.43427 
1 1 1   30   50    3 o   48.265   20.389   14.814   11.702 -19.7073   26.846   22.913   13.003   39.173   19.825   55.790   22.289 -16.61752 29.83030 
1 1 1   30   50    4 o   37.948   18.750  -4.6722   17.997   0.0000   0.0000  -4.6722   17.997  ?   ?    37.948   18.750 0.000000 18.74999 
1 1 1   30   52    0 f   37.466   17.618   2.2972   11.702  -8.3122   22.824   6.0803   13.630   39.216   19.650   40.736   19.111 -1.520226 27.41079 
1 1 1   30   52    1 o   37.302   17.833   0.8313   12.983  -0.7015   22.897   1.5575   15.761   40.830   20.338   39.130   18.941 1.700691 27.79252 
1 1 1   31    1    0 o  148.519   15.271   81.427   15.474   78.833   21.924   84.003   21.843  140.583   23.352  145.990   22.328 -5.407318 32.30877 
1 1 1   31    1    1 o   47.604   21.380  -3.3248   14.672  -5.1497   20.985  -1.5795   20.522   55.259   25.119   56.849   25.426 -1.589790 35.74175 
1 1 1   31    1    2 o   55.521   22.875   6.8800   14.194 -13.8073   20.126   27.351   20.020   49.315   23.163   80.944   28.621 -31.62927 36.81981 
1 1 1   31    1    3 o   39.579   18.851 -14.4763   14.228 -25.6764   20.205  -3.4600   20.039   44.068   21.361   54.406   24.659 -10.33819 32.62440 
1 1 1   31    1    4 o  115.032   21.885   54.005   16.787   85.122   28.030   36.603   20.962  135.931   30.540   89.138   29.335 46.79258 42.34645 
1 1 1   31    1    5 o   72.849   23.852   22.779   13.865   21.936   19.874   23.578   19.352   72.128   27.931   73.673   27.801 -1.545364 39.40826 
1 1 1   31    1    6 o   49.707   21.422   4.0691   13.382  -2.9356   19.260   10.606   18.606   51.526   23.664   60.104   25.565 -8.578075 34.83556 
1 1 1   31    1    7 o   79.271   22.911   28.592   13.279   43.631   18.973   14.152   18.591   93.294   27.508   61.570   25.837 31.72374 37.73952 
1 1 1   31    1    8 f   68.555   25.146   23.243   15.623   23.479   19.366   22.805   26.437   67.939   27.181   67.453   29.573 0.4860001 40.16676 
1 1 1   31    1    9 o   36.884   18.137 -20.9265   16.168 -19.6734   19.554 -23.6341   28.745   41.330   20.247   48.008   23.716 -6.677612 31.18288 
1 1 1   31    1   10 o   73.821   26.125   32.747   16.684   60.683   29.470   19.569   20.240   82.186   33.300   59.440   25.972 22.74543 42.23129 
1 1 1   31    1   11 o   37.395   18.197 -11.0976   15.050  -8.4195   26.943 -12.3123   18.145   46.850   23.110   40.005   19.577 6.844574 30.28757 
1 1 1   31    1   12 o   37.559   17.979  -3.9668   13.292  -5.4765   18.885  -2.4846   18.711   41.326   20.170   42.334   20.528 -1.008064 28.77902 
1 1 1   31    1   13 o   95.693   22.064   53.636   14.314   45.318   20.459   61.612   20.035   65.674   27.296   82.664   28.673 -16.99027 39.58806 
1 1 1   31    1   14 o   54.947   22.103   24.721   12.882   10.902   18.111   38.873   18.327   42.468   20.494   58.351   25.108 -15.88319 32.40992 
1 1 1   31    1   15 o   34.120   16.903  -1.8853   14.986 -31.3122   25.930   12.872   18.363  ?   ?    39.662   19.468 0.000000 19.46824 
1 1 1   31    3    0 o   90.366   23.137   33.163   14.533   36.395   20.533   29.918   20.573   91.869   28.932   84.395   29.068 7.473740 41.01223 
1 1 1   31    3    1 o   49.399   21.694  -0.1668   14.281   5.0392   20.135  -5.4360   20.257   60.850   26.250   54.125   24.633 6.724667 35.99761 
1 1 1   31    3    2 o   49.565   21.804  -0.1153   14.480   9.5434   20.031 -10.6872   20.956   63.883   26.814   51.921   24.139 11.96148 36.07887 
1 1 1   31    3    3 o  127.799   19.805   63.997   16.951   71.394   21.101   50.537   28.463  131.668   24.040  101.603   34.204 30.06493 41.80733 
1 1 1   31    3    4 o  177.393   14.750  117.372   17.946  122.769   21.675  105.610   31.999  178.622   17.769  150.217   31.771 28.40541 36.40192 
1 1 1   31    3    5 o   40.952   19.212  -9.3674   13.775  -2.5730   19.386 -16.2967   19.577   52.728   24.036   45.993   21.962 6.734520 32.55854 
1 1 1   31    3    6 o  139.322   14.972   74.327   14.210   52.664   20.135   95.824   20.058  105.375   27.365  153.774   19.269 -48.39927 33.46864 
1 1 1   31    3    7 o   49.683   22.260   1.7014   15.801   2.9684   19.319  -0.8585   27.461   53.926   24.347   58.061   27.203 -4.135143 36.50720 
1 1 1   31    3    8 o   37.646   18.330 -17.7412   15.336  -8.8934   19.069 -33.9463   25.806   46.119   21.925   44.437   22.044 1.681160 31.09081 
1 1 1   31    3    9 o   41.849   19.535  -3.8620   13.949   23.522   20.170 -28.9668   19.312   65.174   27.096   38.149   18.949 27.02531 33.06456 
1 1 1   31    3   10 o   39.516   18.622  -4.5361   13.199  -5.5891   18.466  -3.4359   18.874   44.384   21.232   45.682   21.745 -1.297714 30.39084 
1 1 1   31    3   11 o   69.768   24.783   30.404   15.027   25.054   27.047   32.793   18.073   58.172   27.171   68.222   26.575 -10.05055 38.00640 
1 1 1   31    3   12 o   65.095   24.750   30.210   15.411   75.951   27.917   10.160   18.483   80.957   32.548   47.851   22.386 33.10668 39.50347 
1 1 1   31    3   13 o   43.526   19.916   8.8538   13.473   9.1404   19.265   8.5795   18.848   44.717   21.469   44.416   21.300 0.3011971 30.24239 
1 1 1   31    3   14 o   47.865   21.718   20.151   15.595 -25.8000   26.503   44.490   19.288  ?   ?    60.734   25.935 0.000000 25.93539 
1 1 1   31    3   15 o   66.224   24.045   42.827   14.232   73.122   24.660   27.696   17.428   58.426   26.812   46.282   21.680 12.14486 34.48000 
1 1 1   31    5    0 o   52.418   22.353   3.3226   14.291   4.2570   19.851   2.3172   20.591   59.979   25.969   59.423   26.074 0.5568771 36.80010 
1 1 1   31    5    1 o   48.974   21.598  -0.6211   14.291 -16.2972   20.056   15.548   20.369   48.110   22.758   69.453   27.845 -21.34295 35.96159 
1 1 1   31    5    2 o   35.480   17.391 -24.8231   14.492 -52.6201   20.079   5.3992   20.937   36.114   18.141   61.475   26.643 -25.36126 32.23292 
1 1 1   31    5    3 o   45.262   20.632  -5.0066   14.282   38.098   20.069 -49.2319   20.329   92.248   28.531   37.083   18.576 55.16466 34.04514 
1 1 1   31    5    4 o   58.245   23.307   10.478   14.241   28.598   20.273  -7.1744   20.009   80.068   28.749   51.510   23.822 28.55797 37.33587 
1 1 1   31    5    5 o  134.111   19.215   71.891   17.326   60.903   21.014   95.220   30.619  116.166   26.696  138.488   32.503 -22.32191 42.06123 
1 1 1   31    5    6 o  108.705   22.134   50.701   16.087   34.288   19.966   81.073   27.160   83.013   28.634  126.284   31.245 -43.27154 42.38144 
1 1 1   31    5    7 o   62.405   24.645   16.441   15.727  -0.2689   19.569   46.917   26.427   52.098   23.899   88.432   32.662 -36.33468 40.47162 
1 1 1   31    5    8 o   81.769   22.924   31.677   13.496   66.244   19.873   2.0872   18.387  116.854   25.305   51.109   23.341 65.74416 34.42588 
1 1 1   31    5    9 o   86.987   22.575   36.758   13.709   32.564   19.902   40.544   18.911   73.241   28.059   83.062   27.881 -9.820526 39.55518 
1 1 1   31    5   10 o   38.663   18.299  -5.4531   13.000   13.157   18.264 -24.5608   18.507   54.533   24.214   37.515   18.620 17.01794 30.54552 
1 1 1   31    5   11 o   37.675   18.023  -6.0042   13.311 -16.0260   19.060   3.5378   18.598   39.432   19.448   46.806   22.072 -7.373608 29.41758 
1 1 1   31    5   12 o   73.164   25.065   36.828   15.287  -3.0341   28.131   53.534   18.211   45.794   22.767   86.127   27.260 -40.33248 35.51729 
1 1 1   31    5   13 o   41.931   20.383   2.7817   18.750   0.0000   0.0000   2.7817   18.750  ?   ?    41.931   20.383 0.000000 20.38280 
1 1 1   31    5   14 o   36.295   17.468   0.7530   12.944   2.5957   18.220  -1.1246   18.392   39.194   19.270   38.057   18.831 1.137104 26.94327 
1 1 1   31    5   15 o   34.865   16.884   2.9270   12.555   12.360   17.524  -7.0220   17.997   39.293   19.231   33.745   16.980 5.548157 25.65447 
1 1 1   31    7    0 o  157.290   15.679   91.908   16.841   85.793   20.321  105.317   30.093  148.634   20.283  156.951   28.763 -8.317368 35.19502 
1 1 1   31    7    1 f   52.614   23.311  -0.4777   16.835  -5.7902   26.613   3.0667   21.738   60.764   27.873   60.813   26.735 -0.4944229E-01 38.62200 
1 1 1   31    7    2 f   92.097   26.524   36.566   17.825   50.310   21.087   2.1610   33.363  107.029   28.106   69.712   31.683 37.31666 42.35275 
1 1 1   31    7    3 o  165.183   15.966  102.654   18.026   97.382   21.565  114.878   32.839  157.128   20.305  158.980   30.958 -1.852448 37.02274 
1 1 1   31    7    4 o  117.469   21.327   56.266   16.700   77.453   20.376   12.912   29.148  137.398   22.183   70.334   30.939 67.06464 38.06967 
1 1 1   31    7    5 o   43.953   20.723 -10.9500   16.383   0.9685   20.403 -32.5854   27.489   55.612   25.073   49.100   24.043 6.511768 34.73777 
1 1 1   31    7    6 o   35.755   17.677 -28.3400   16.084 -34.4517   20.300 -18.0341   26.361   39.734   19.683   51.630   24.868 -11.89672 31.71517 
1 1 1   31    7    7 o   75.227   23.444   26.343   13.522   45.673   19.546   8.6007   18.726   94.304   27.951   56.902   24.920 37.40205 37.44642 
1 1 1   31    7    8 o   50.875   21.738   7.5020   13.565   16.621   19.851  -0.4853   18.578   61.632   26.315   49.615   22.949 12.01654 34.91575 
1 1 1   31    7    9 o   38.267   18.175  -7.6632   13.043 -14.6805   18.996  -1.4040   17.941   42.272   20.541   47.161   22.061 -4.889606 30.14345 
1 1 1   31    7   10 o   61.722   23.276   20.726   13.560   16.480   19.813   24.468   18.598   56.763   25.212   63.004   26.092 -6.240868 36.28238 
1 1 1   31    7   11 o   44.882   20.232   5.7087   13.278   17.529   19.210  -5.1065   18.375   54.605   24.499   42.631   20.590 11.97386 32.00206 
1 1 1   31    7   12 o   53.913   23.055   19.427   15.280  -3.3551   26.515   30.753   18.696   45.003   22.328   60.783   25.729 -15.77999 34.06689 
1 1 1   31    7   13 o   34.935   17.166  -8.4424   14.391 -18.4976   23.995  -2.7937   17.985   38.331   19.328   39.416   19.331 -1.085136 27.33583 
1 1 1   31    7   14 o   34.450   16.998  -5.8073   14.609  -7.1171   25.486  -5.1663   17.829   38.590   19.509   36.450   18.123 2.140121 26.62773 
1 1 1   31    7   15 o   26.238   13.266 -19.3783   11.807  -6.9823   16.750 -31.6182   16.645   33.058   16.602  ?   ?  0.000000 16.60192 
1 1 1   31    9    0 o   52.538   23.094   0.6702   16.215 -11.3289   19.538   27.220   29.063   49.606   23.144   82.442   33.187 -32.83689 40.45990 
1 1 1   31    9    1 o   43.950   20.868 -15.5871   17.172 -12.0057   20.214 -24.8732   32.549   50.077   23.423   58.597   28.072 -8.520264 36.56040 
1 1 1   31    9    2 o   94.745   25.938   38.702   17.506   41.836   20.752   30.971   32.598   96.429   28.851   84.831   34.775 11.59818 45.18462 
1 1 1   31    9    3 o  113.883   21.869   52.928   16.611   62.293   19.968   31.888   29.930  121.404   24.607   83.779   33.695 37.62498 41.72326 
1 1 1   31    9    4 o   52.906   23.168   2.8149   16.183  -6.9159   19.590   23.727   28.719   50.752   23.507   76.259   32.063 -25.50635 39.75655 
1 1 1   31    9    5 o   47.243   20.944   0.5427   13.610   3.1854   19.737  -1.8535   18.793   56.101   25.025   51.982   23.684 4.118435 34.45537 
1 1 1   31    9    6 o   54.215   22.238   9.2093   13.340   8.1526   20.514   9.9835   17.559   58.893   25.930   58.175   24.792 0.7179642 35.87430 
1 1 1   31    9    7 o   47.543   21.037   2.5643   13.668 -17.5757   20.288   19.303   18.496   44.448   21.509   65.223   26.397 -20.77422 34.05107 
1 1 1   31    9    8 o  103.040   20.476   47.081   14.088   28.481   20.686   63.173   19.240   71.082   28.204  113.470   25.159 -42.38735 37.79490 
1 1 1   31    9    9 o   48.248   21.140   6.2444   13.490   5.7165   19.159   6.7635   18.998   51.748   23.705   52.275   23.815 -0.5263748 33.60212 
1 1 1   31    9   10 o   47.361   20.862   7.0487   13.295   20.052   19.129  -5.1036   18.492   58.912   25.499   44.152   21.154 14.75997 33.13151 
1 1 1   31    9   11 o   50.438   22.316   12.248   15.379 -25.2098   27.657   29.014   18.503   42.694   21.426   63.124   26.074 -20.42997 33.74807 
1 1 1   31    9   12 o   32.371   16.012 -15.0693   13.256 -10.4151   19.077 -19.4153   18.434   39.277   19.388   36.186   18.061 3.091805 26.49661 
1 1 1   31    9   13 o   51.340   21.535   18.761   12.907   18.823   18.059   18.697   18.454   48.732   22.570   48.548   22.598 0.1839027 31.93879 
1 1 1   31    9   14 o   44.030   21.862   20.371   25.611   20.371   25.611   0.0000   0.0000   44.030   21.862  ?   ?  0.000000 21.86226 
1 1 1   31    9   15 o   35.936   17.533   5.3931   14.237   14.473   24.201   0.5882   17.605   38.661   19.484   35.062   17.523 3.599060 26.20424 
1 1 1   31   11    0 o  156.227   19.957   95.308   21.086  114.976   28.193   70.341   31.765  166.439   25.269  118.477   35.750 47.96161 43.77875 
1 1 1   31   11    1 o   77.199   26.972   25.066   17.743   33.728   21.335   5.6390   31.951   86.744   29.611   69.871   31.451 16.87312 43.19658 
1 1 1   31   11    2 o   70.939   26.130   20.170   16.895   31.395   20.047  -7.3463   31.386   83.833   28.703   63.088   29.401 20.74533 41.08865 
1 1 1   31   11    3 o   56.177   23.117   8.3512   14.474   2.6992   20.302   14.194   20.642   57.609   25.557   66.360   27.485 -8.750443 37.53152 
1 1 1   31   11    4 o   99.450   20.995   40.939   13.998   33.138   20.011   48.413   19.587   83.722   28.677  102.722   27.143 -18.99983 39.48503 
1 1 1   31   11    5 o   71.196   23.894   22.365   13.889   22.384   20.413   22.349   18.954   71.131   28.082   70.910   27.327 0.2201462 39.18433 
1 1 1   31   11    6 o   66.468   23.693   19.652   13.746   42.685   20.593   1.1398   18.462   90.691   29.019   52.296   23.689 38.39587 37.45980 
1 1 1   31   11    7 o   59.636   24.297   14.532   15.791   7.6439   28.961   17.446   18.838   61.167   28.417   63.198   26.223 -2.031460 38.66784 
1 1 1   31   11    8 o   39.527   18.706  -7.6347   13.579 -19.6044   19.652   3.3016   18.784   41.861   20.462   51.400   23.518 -9.538116 31.17383 
1 1 1   31   11    9 o   73.363   23.635   28.280   13.643   43.995   19.639   13.623   18.966   84.266   28.411   56.312   24.855 27.95459 37.74908 
1 1 1   31   11   10 o   51.138   22.473   10.855   15.346   1.5010   28.451   14.694   18.225   51.545   25.068   54.612   24.222 -3.067318 34.85822 
1 1 1   31   11   11 o   54.018   22.432   16.699   13.801   33.458   19.866   1.0664   19.187   64.998   26.946   45.195   21.625 19.80285 34.55077 
1 1 1   31   11   12 o   41.165   19.125   3.6725   13.118   2.1036   18.406   5.2920   18.701   43.111   20.769   44.575   21.334 -1.464516 29.77410 
1 1 1   31   11   13 o   26.378   13.374 -29.5212   12.604 -39.9770   17.592 -18.4953   18.065  ?   ?    34.453   17.294 0.000000 17.29414 
1 1 1   31   11   14 o   37.540   17.714   4.9463   12.015  -1.6256   17.006   11.496   16.978   36.670   18.138   41.575   20.009 -4.904896 27.00663 
1 1 1   31   11   15 o   34.796   16.812   4.5493   12.276 -20.8242   16.888   32.976   17.875   29.654   15.079   46.646   21.884 -16.99274 26.57632 
1 1 1   31   13    0 o   37.998   18.695 -29.8510   17.256 -46.1067   20.721   6.9268   31.168   38.299   19.121   69.512   31.195 -31.21305 36.58867 
1 1 1   31   13    1 o   71.028   24.766   20.674   14.955   27.162   21.198   14.245   21.102   79.080   29.244   67.244   27.816 11.83623 40.35963 
1 1 1   31   13    2 o   49.002   21.398   1.5015   13.719   28.047   19.212 -26.1165   19.596   79.544   28.047   42.566   20.725 36.97785 34.87309 
1 1 1   31   13    3 o   33.787   16.597 -23.0359   13.424 -19.6871   19.166 -26.2606   18.808   44.161   21.255   41.142   20.091 3.018379 29.24716 
1 1 1   31   13    4 o  217.871   10.188  171.147   15.362  140.165   22.234  199.446   21.250  189.853   17.105  231.627   13.311 -41.77409 21.67395 
1 1 1   31   13    5 o   48.326   21.186   2.4612   13.566  -2.9312   20.295   6.8173   18.241   52.318   24.124   56.567   24.688 -4.248489 34.51778 
1 1 1   31   13    6 o   51.713   21.938   6.9609   13.639   16.207   20.199  -0.7882   18.492   63.729   26.847   50.821   23.283 12.90861 35.53698 
1 1 1   31   13    7 o   54.727   22.560   10.918   13.816   26.809   20.426  -2.4838   18.758   70.897   28.059   49.075   22.823 21.82159 36.16941 
1 1 1   31   13    8 o   89.247   22.658   38.242   14.021   13.114   20.230   61.472   19.450   57.920   25.612  109.253   26.083 -51.33257 36.55608 
1 1 1   31   13    9 o   65.139   24.944   23.849   15.725   60.927   28.331   7.3404   18.904   85.512   33.283   51.799   23.660 33.71287 40.83561 
1 1 1   31   13   10 o   32.138   15.915 -19.4505   13.231   1.9197   19.107 -39.1386   18.339   47.139   22.272   33.122   16.725 14.01749 27.85247 
1 1 1   31   13   11 o   49.978   21.553   12.853   13.566   7.7166   19.508   17.662   18.878   47.941   22.606   53.337   24.076 -5.396095 33.02595 
1 1 1   31   13   12 o   30.876   15.366 -17.4159   12.944 -10.6198   17.643 -25.3388   19.050   37.683   18.609   34.793   17.502 2.890369 25.54647 
1 1 1   31   13   13 o   35.595   17.177  -2.3023   12.726   8.5617   17.243 -15.3015   18.862   42.753   20.468   35.524   17.810 7.228367 27.13189 
1 1 1   31   13   14 o   33.197   16.190  -2.8609   12.105   7.7236   16.841 -14.1743   17.411   39.546   19.245   33.105   16.663 6.440807 25.45634 
1 1 1   31   13   15 o   35.965   17.239   7.6621   12.313  -6.1897   16.488   25.127   18.513   32.231   16.222   41.797   20.303 -9.566456 25.98786 
1 1 1   31   15    0 o   81.414   24.903   28.686   15.338   31.151   21.237   25.998   22.176   82.686   29.452   77.533   29.638 5.153038 41.78365 
1 1 1   31   15    1 o  183.692   12.247  123.279   15.482  109.257   21.562  138.200   22.243  166.890   19.006  189.920   17.105 -23.02951 25.56985 
1 1 1   31   15    2 o   57.868   22.879   11.011   13.567   23.711   19.041  -2.0843   19.336   74.087   27.652   53.202   24.156 20.88488 36.71740 
1 1 1   31   15    3 o   69.240   23.332   20.373   13.244   6.8073   19.041   33.088   18.434   58.359   25.350   84.146   27.501 -25.78679 37.40254 
1 1 1   31   15    4 o   59.243   22.876   13.200   13.302   6.9008   19.104   19.128   18.533   57.765   25.237   67.693   26.747 -9.927559 36.77404 
1 1 1   31   15    5 o   89.803   22.022   35.376   13.583   41.025   19.734   30.291   18.723   90.034   28.365   78.173   27.675 11.86105 39.62901 
1 1 1   31   15    6 o   68.835   23.821   22.115   13.824   26.725   20.128   17.998   19.019   72.226   28.070   64.245   26.475 7.981125 38.58569 
1 1 1   31   15    7 o   61.170   23.233   17.149   13.571   17.936   19.121   16.350   19.264   62.517   26.217   61.268   26.035 1.249866 36.94796 
1 1 1   31   15    8 o  101.279   23.735   50.581   16.347   63.171   30.378   45.449   19.394   88.287   34.436   88.157   28.156 0.1300430 44.48185 
1 1 1   31   15    9 o   59.713   23.052   18.658   13.505 -19.0419   19.287   54.921   18.916   40.130   19.748   97.335   27.087 -57.20547 33.52147 
1 1 1   31   15   10 o   54.504   22.289   15.777   13.351   14.029   18.900   17.518   18.862   53.171   24.037   55.441   24.613 -2.270809 34.40337 
1 1 1   31   15   11 o   70.335   23.867   31.451   13.861   30.264   19.954   32.556   19.268   60.744   26.168   63.182   26.393 -2.438633 37.16692 
1 1 1   31   15   12 o   43.121   19.793   7.4058   13.450   20.986   18.070  -9.4609   20.138   51.796   23.452   39.286   19.486 12.51011 30.49110 
1 1 1   31   15   13 o   43.761   19.670   11.499   12.445   16.251   16.840   5.7805   18.472   46.108   21.504   41.367   20.136 4.740841 29.45988 
1 1 1   31   15   14 o   30.424   15.106  -9.2887   12.225  -1.7447   17.249 -16.9031   17.329   35.936   17.860   32.103   16.216 3.833481 24.12340 
1 1 1   31   17    0 o   81.942   24.738   29.501   15.207   23.968   20.962   35.648   22.094   74.505   28.732   86.173   30.098 -11.66819 41.61049 
1 1 1   31   17    1 o   35.581   17.388 -21.6875   14.163 -51.8487   19.797   9.9355   20.271   35.269   17.755   62.025   26.540 -26.75621 31.93119 
1 1 1   31   17    2 o   63.653   23.696   16.091   13.965   8.6446   19.692   23.626   19.808   60.238   25.973   73.292   28.012 -13.05373 38.20058 
1 1 1   31   17    3 o   74.202   23.724   24.320   13.766   19.446   19.855   28.833   19.102   68.589   27.494   78.040   27.919 -9.451012 39.18338 
1 1 1   31   17    4 o   63.217   23.147   16.772   13.230   24.144   19.529   10.518   17.986   71.994   27.741   59.143   25.145 12.85169 37.44066 
1 1 1   31   17    5 o   55.685   22.334   11.183   13.110   7.2107   18.466   15.220   18.616   56.072   24.646   62.426   25.999 -6.353172 35.82445 
1 1 1   31   17    6 o   31.362   15.624 -27.6836   13.533 -25.5127   19.578 -29.6698   18.727   40.571   19.952   38.229   18.931 2.342102 27.50425 
1 1 1   31   17    7 o   84.553   25.000   36.520   15.651   20.493   28.414   43.501   18.752   64.627   29.320   88.795   27.598 -24.16830 40.26536 
1 1 1   31   17    8 f   62.008   25.117   20.348   16.761   10.814   20.402   40.146   29.399   55.291   24.987   72.001   31.386 -16.70927 40.11737 
1 1 1   31   17    9 o  108.171   18.890   53.192   13.628   65.552   19.271   40.829   19.274  108.681   25.974   78.244   28.038 30.43665 38.22009 
1 1 1   31   17   10 f   36.446   17.561  -7.9946   13.173  -1.9990   18.445 -14.2376   18.821   44.040   21.107   39.714   19.537 4.325684 28.76088 
1 1 1   31   17   11 o   30.307   15.175 -22.9156   13.501 -14.2617   19.101 -31.5543   19.084   38.514   19.081   34.120   17.208 4.393379 25.69457 
1 1 1   31   17   12 o   33.273   16.352 -10.1084   13.076 -30.6450   17.850   13.678   19.210   32.106   16.240   46.891   22.208 -14.78474 27.51201 
1 1 1   31   17   13 o   42.440   19.393   10.446   12.717   5.4849   17.188   16.447   18.905   40.446   19.627   45.102   21.549 -4.655277 29.14786 
1 1 1   31   17   14 o   35.826   17.521   2.2589   14.466   2.4881   17.590   1.7800   25.427   36.771   18.234   37.870   19.179 -1.098694 26.46377 
1 1 1   31   19    0 o   55.643   23.014   8.6625   14.443  -2.9636   19.404   23.105   21.627   52.209   23.894   72.895   28.865 -20.68598 37.47176 
1 1 1   31   19    1 o   42.122   19.698  -8.3914   14.284 -22.2570   20.282   5.2525   20.120   44.188   21.414   57.916   25.580 -13.72869 33.36022 
1 1 1   31   19    2 o   88.128   23.345   34.240   14.466   38.986   20.828   29.816   20.108   88.489   29.247   78.705   28.580 9.784225 40.89257 
1 1 1   31   19    3 o  100.554   20.585   42.527   13.844   32.150   20.067   51.952   19.123   80.374   28.629  105.486   26.288 -25.11147 38.86781 
1 1 1   31   19    4 o   65.018   23.213   18.545   13.200   30.740   19.266   7.7555   18.121   78.040   28.025   56.498   24.634 21.54207 37.31258 
1 1 1   31   19    5 o   72.932   23.584   24.987   13.575   23.458   19.594   26.398   18.824   69.139   27.445   72.156   27.373 -3.017029 38.76156 
1 1 1   31   19    6 o   91.850   24.518   41.217   15.878   11.580   28.511   54.540   19.116   61.595   28.469  103.626   26.538 -42.03025 38.91932 
1 1 1   31   19    7 o   34.724   16.943 -16.1332   13.297  -6.2614   18.827 -25.9596   18.783   45.994   21.842   38.526   19.057 7.467800 28.98708 
1 1 1   31   19    8 f   27.970   14.109 -32.9423   12.863 -53.0676   18.042 -12.1383   18.344   30.697   15.608   41.980   20.350 -11.28324 25.64567 
1 1 1   31   19    9 o   57.222   22.962   17.679   13.866   12.458   20.645   21.970   18.717   53.492   24.542   59.782   25.539 -6.290199 35.41932 
1 1 1   31   19   10 o   41.692   19.374   1.4650   13.473   4.9711   18.806  -2.2323   19.312   46.870   22.130   43.964   21.202 2.906418 30.64771 
1 1 1   31   19   11 o   38.061   18.414  -4.9650   14.851  -3.6263   17.784  -8.0488   26.992   40.735   19.813   43.706   21.821 -2.971863 29.47345 
1 1 1   31   19   12 o   32.484   16.021 -11.0093   12.934 -19.6037   17.348  -0.2542   19.407   33.905   17.009   40.797   20.023 -6.892357 26.27206 
1 1 1   31   19   13 o   39.280   18.671   5.9964   13.823   16.804   16.281 -21.9073   26.160   45.141   21.083  ?   ?  0.000000 21.08345 
1 1 1   31   19   14 f   40.295   18.830   12.766   13.016   2.6861   18.310   23.062   18.505   36.317   18.106   43.163   20.801 -6.846386 27.57725 
1 1 1   31   21    0 o   38.293   18.444 -15.9134   14.497  -6.0121   20.037 -26.7904   21.001   50.708   23.585   43.205   21.126 7.503185 31.66321 
1 1 1   31   21    1 o   32.679   16.226 -28.3401   14.107 -10.2647   19.421 -48.5338   20.527   47.774   22.536   36.538   18.353 11.23589 29.06382 
1 1 1   31   21    2 o   91.616   23.009   37.217   14.569   22.115   20.522   52.566   20.688   70.101   28.004  103.646   28.123 -33.54491 39.68769 
1 1 1   31   21    3 o   48.302   21.203   2.8166   13.627   8.3652   19.811  -2.1665   18.774   58.212   25.559   50.651   23.299 7.561024 34.58476 
1 1 1   31   21    4 o   45.383   20.598  -1.0924   14.043   25.272   21.672 -20.1732   18.437   71.001   28.631   41.402   20.145 29.59860 35.00790 
1 1 1   31   21    5 o   77.534   25.468   30.293   15.803   9.9220   30.518   37.756   18.472   62.265   29.009   84.173   27.530 -21.90874 39.99251 
1 1 1   31   21    6 o   56.330   22.602   13.406   13.434   7.2050   19.213   19.336   18.790   54.166   24.384   62.963   26.163 -8.796654 35.76440 
1 1 1   31   21    7 o   46.176   20.580   3.7740   13.318  -4.3513   18.820   11.925   18.849   46.364   21.965   55.683   24.668 -9.318512 33.02993 
1 1 1   31   21    8 o   38.911   18.451  -5.8563   13.341 -11.9474   19.025   0.0357   18.712   42.262   20.541   47.156   22.207 -4.894386 30.25033 
1 1 1   31   21    9 o   78.687   26.102   39.194   16.584   60.354   20.462  -1.3117   28.310   95.146   28.690   49.649   24.330 45.49696 37.61731 
1 1 1   31   21   10 o   49.517   21.904   12.423   14.807 -12.8634   24.091   27.775   18.772   42.701   21.203   60.259   25.655 -17.55796 33.28288 
1 1 1   31   21   11 o   49.627   21.344   15.035   13.231   0.8435   18.288   30.618   19.164   42.197   20.420   58.412   25.403 -16.21470 32.59272 
1 1 1   31   21   12 o   40.785   19.311   5.4853   14.507   11.035   17.426  -7.0439   26.183   44.157   20.982   40.657   20.461 3.499580 29.30717 
1 1 1   31   21   13 o   33.392   16.275  -3.1137   12.178   7.3052   15.939 -17.7254   18.876   39.683   19.169   33.441   16.896 6.242039 25.55197 
1 1 1   31   21   14 o   29.190   14.615 -10.4133   12.507 -19.2529   17.001   0.0138   18.464   30.120   15.298   34.903   17.515 -4.782955 23.25515 
1 1 1   31   23    0 o  149.895   14.888   86.416   15.242   69.901   21.560  102.914   21.549  122.705   26.185  157.381   20.253 -34.67662 33.10393 
1 1 1   31   23    1 o   48.857   21.480   2.7981   14.034  -2.2031   19.464   8.2135   20.254   51.449   23.687   58.565   25.775 -7.115467 35.00641 
1 1 1   31   23    2 o   56.850   23.176   11.405   14.380   4.0628   20.644   18.325   20.041   55.843   25.195   65.703   27.137 -9.859852 37.02975 
1 1 1   31   23    3 o   74.336   26.302   27.391   16.910   31.610   30.936   25.594   20.193   74.818   32.406   71.405   28.013 3.413223 42.83567 
1 1 1   31   23    4 o   94.423   25.296   43.596   16.864 -11.6195   31.983   64.858   19.847   55.634   26.944  116.340   25.364 -60.70523 37.00375 
1 1 1   31   23    5 o   41.061   19.176  -5.1249   13.465  -5.3477   19.740  -4.9311   18.414   48.047   22.682   46.974   22.093 1.073166 31.66360 
1 1 1   31   23    6 o  128.749   16.280   68.331   14.183  102.095   20.430   36.920   19.705  151.921   19.909   78.376   28.318 73.54443 34.61576 
1 1 1   31   23    7 o  105.833   19.147   50.196   13.508   47.890   19.655   52.260   18.596   88.309   28.360   96.136   26.894 -7.827370 39.08406 
1 1 1   31   23    8 o   54.982   22.137   15.194   12.935   4.9478   18.452   25.093   18.137   48.856   22.693   63.070   25.907 -14.21377 34.44030 
1 1 1   31   23    9 o   54.882   22.442   16.855   13.534   43.730   19.107 -10.2095   19.174   77.266   27.890   41.280   20.185 35.98598 34.42791 
1 1 1   31   23   10 o   40.346   19.171  -0.6640   14.545 -21.7208   17.935   39.790   24.859   35.492   17.730   61.911   27.816 -26.41958 32.98627 
1 1 1   31   23   11 o   52.286   22.429   19.652   14.544   8.0424   17.261   48.073   27.006   44.317   21.007   59.505   27.574 -15.18790 34.66470 
1 1 1   31   23   12 o   28.591   14.376 -20.5894   12.775 -15.1119   17.463 -26.8947   18.737   34.330   17.200   32.577   16.495 1.752998 23.83132 
1 1 1   31   23   13 o   34.593   16.795  -0.0003   12.626  -6.8146   17.271   7.8220   18.504   34.609   17.305   39.333   19.354 -4.723900 25.96209 
1 1 1   31   25    0 o   42.010   20.012 -11.6445   16.049  -6.2049   26.755 -14.7016   20.058   55.241   26.176   45.639   21.910 9.602192 34.13524 
1 1 1   31   25    1 o   49.004   21.702   2.8479   14.578 -16.8172   20.289   23.836   20.960   44.947   21.690   69.892   28.166 -24.94496 35.54990 
1 1 1   31   25    2 o   71.061   26.345   24.987   17.226   47.873   31.996   15.645   20.442   84.074   34.457   62.645   26.724 21.42904 43.60581 
1 1 1   31   25    3 o   58.285   24.404   12.992   16.525  -8.7512   30.327   22.173   19.708   55.452   26.701   67.125   27.220 -11.67273 38.12940 
1 1 1   31   25    4 o   45.916   20.693   1.1771   13.881 -11.0015   19.896   12.726   19.375   45.771   21.933   58.512   25.493 -12.74061 33.62969 
1 1 1   31   25    5 o   36.349   17.518 -12.1734   13.127  -1.7565   18.818 -22.0483   18.322   48.340   22.607   39.333   19.335 9.006493 29.74735 
1 1 1   31   25    6 o  137.823   14.971   77.108   14.051   74.875   20.543   79.070   19.261  120.576   25.418  128.890   22.404 -8.313622 33.88229 
1 1 1   31   25    7 o   40.484   18.839  -2.1093   12.811   3.8889   18.353  -7.8090   17.891   48.890   22.682   42.839   20.598 6.050957 30.63953 
1 1 1   31   25    8 o   50.625   21.575   11.658   13.298   43.528   19.136 -18.1098   18.494   79.031   27.978   38.658   19.083 40.37374 33.86633 
1 1 1   31   25    9 o   42.582   20.046   1.0835   15.222   11.907   22.777  -7.6527   20.463   50.745   24.076   42.426   20.768 8.318405 31.79592 
1 1 1   31   25   10 o   35.385   17.597 -17.0535   16.845 -17.0535   16.845   0.0000   0.0000   35.385   17.597  ?   ?  0.000000 17.59654 
1 1 1   31   25   11 o   31.190   15.601 -18.6819   14.094 -24.0262   16.263  -2.5629   28.244   31.917   16.071   42.816   21.509 -10.89845 26.84963 
1 1 1   31   25   12 o   36.145   17.628  -1.6217   14.347  -1.7876   16.933  -1.1995   27.015   37.394   18.422   40.326   20.355 -2.932049 27.45302 
1 1 1   31   25   13 o   31.465   15.761 -10.5012   14.623 -12.5580   17.577  -5.8780   26.352   32.676   16.484  ?   ?  0.000000 16.48420 
1 1 1   31   27    0 o   70.544   28.292   25.835   21.037   0.0000   0.0000   25.835   21.037  ?   ?    70.544   28.292 0.000000 28.29179 
1 1 1   31   27    1 o  101.339   25.896   50.625   18.230   43.541   32.355   53.919   22.067   79.698   33.798   98.601   29.807 -18.90272 45.06401 
1 1 1   31   27    2 o   91.821   26.164   42.871   17.433   17.839   30.347   55.201   21.298   65.299   29.884  100.651   28.994 -35.35143 41.63763 
1 1 1   31   27    3 o   63.508   23.921   19.302   14.313   36.594   20.444   2.6775   20.045   79.376   28.818   52.394   24.091 26.98128 37.56188 
1 1 1   31   27    4 o   41.389   19.230  -3.5823   13.266  -7.0511   18.620  -0.0063   18.905   45.612   21.678   49.381   22.948 -3.769356 31.56833 
1 1 1   31   27    5 o   53.710   22.403   11.840   13.851   1.8877   19.583   21.804   19.595   50.075   23.299   63.180   26.520 -13.10483 35.30061 
1 1 1   31   27    6 o   50.354   21.640   9.4214   13.583   12.602   19.527   6.4399   18.905   55.058   24.701   51.073   23.451 3.984409 34.06045 
1 1 1   31   27    7 f   56.199   22.414   16.466   13.126   8.6924   18.443   24.444   18.685   50.808   23.268   61.973   25.949 -11.16555 34.85320 
1 1 1   31   27    8 o   36.807   18.286 -21.0243   18.009 -21.0243   18.009   0.0000   0.0000   36.807   18.286  ?   ?  0.000000 18.28566 
1 1 1   31   27    9 o   59.875   25.399   27.892   18.282   27.892   18.282   0.0000   0.0000   59.875   25.399  ?   ?  0.000000 25.39936 
1 1 1   31   27   10 f   43.167   20.107   6.5681   14.649   30.720   17.506 -49.8537   26.757   59.748   25.072  ?   ?  0.000000 25.07222 
1 1 1   31   27   11 o   33.225   16.463 -11.4857   14.239  -4.5218   16.440 -32.3951   28.487   37.297   18.330  ?   ?  0.000000 18.33008 
1 1 1   31   27   12 o   42.937   20.031   13.537   14.631   15.748   17.289   7.9561   27.462   43.527   20.744   40.956   20.654 2.570786 29.27353 
1 1 1   31   27   13 o   31.996   16.238 -15.3211   18.873 -41.5756   26.565   11.434   26.817  ?   ?    38.083   19.330 0.000000 19.33021 
1 1 1   31   29    0 o   40.141   19.881 -29.7443   20.677   0.0000   0.0000 -29.7443   20.677  ?   ?    40.141   19.881 0.000000 19.88112 
1 1 1   31   29    1 o   77.912   24.918   30.905   15.186  -7.8342   21.092   72.600   21.882   48.120   22.928  118.961   27.172 -70.84045 35.55296 
1 1 1   31   29    2 o   34.983   17.151 -19.0477   14.116 -42.9178   20.458   2.6449   19.503   36.306   18.247   51.612   23.743 -15.30571 29.94521 
1 1 1   31   29    3 o   74.130   24.175   28.249   14.247   33.658   19.183   21.595   21.277   75.701   27.850   63.967   27.276 11.73418 38.98177 
1 1 1   31   29    4 o   57.817   23.050   15.795   13.877   6.7364   19.308   25.475   19.959   52.595   23.980   66.145   27.174 -13.54992 36.24153 
1 1 1   31   29    5 o   72.217   23.677   27.874   13.660   28.007   19.603   27.749   19.045   67.000   27.155   67.088   26.914 -0.8787537E-01 38.23323 
1 1 1   31   29    6 o   67.400   23.566   25.346   13.546   33.225   19.437   17.903   18.890   69.959   27.472   57.386   25.083 12.57370 37.19978 
1 1 1   31   29    7 o   40.604   18.971  -0.9750   13.201   2.3898   19.006  -4.1112   18.349   46.796   22.141   43.456   20.886 3.339741 30.43808 
1 1 1   31   29    8 o   38.455   18.685  -8.3016   15.710   3.8822   18.033 -46.6537   31.994   45.587   21.569   40.864   20.778 4.723110 29.94858 
1 1 1   31   29    9 o   49.404   21.755   14.220   14.446   39.154   18.128 -29.1658   23.912   68.564   26.641   37.870   19.119 30.69350 32.79148 
1 1 1   31   29   10 o   51.082   22.133   18.916   14.442   10.340   17.290   38.707   26.266   44.950   21.222   54.995   26.023 -10.04478 33.57960 
1 1 1   31   29   11 o   37.197   18.044  -0.1937   14.490  -0.1593   16.751  -0.2959   28.878   38.301   18.758   41.330   20.883 -3.029202 28.07069 
1 1 1   31   29   12 o   28.478   14.480 -27.9545   15.540  -3.9185   26.475 -40.5901   19.195   37.682   19.134  ?   ?  0.000000 19.13425 
1 1 1   31   31    0 o   34.517   17.041 -22.4342   14.759 -14.6746   21.089 -29.8826   20.661   44.813   21.745   39.571   19.646 5.242592 29.30541 
1 1 1   31   31    1 o   52.552   23.205   8.1621   16.546   20.190   27.571   1.3916   20.685   63.281   28.776   51.193   23.861 12.08773 37.38181 
1 1 1   31   31    2 o   34.543   16.997 -19.8953   14.270   8.3538   19.468 -52.6915   20.976   53.961   24.395   34.493   17.464 19.46817 30.00208 
1 1 1   31   31    3 o   54.010   22.574   12.296   14.105   12.553   19.718   12.027   20.186   56.105   25.021   55.919   25.099 0.1859436 35.44023 
1 1 1   31   31    4 o   54.010   22.432   13.068   13.805   19.343   20.114   7.4792   18.981   59.836   26.023   51.833   23.688 8.003452 35.19010 
1 1 1   31   31    5 o   46.586   20.624   6.0930   13.153   5.0713   18.464   7.1456   18.742   49.256   22.816   50.563   23.266 -1.306931 32.58686 
1 1 1   31   31    6 o   56.357   22.546   17.236   13.323   24.569   19.285   10.540   18.428   60.852   25.958   51.232   23.385 9.619499 34.93844 
1 1 1   31   31    7 o   44.129   20.764   2.0112   16.295   4.8004   19.663  -4.1034   29.114   47.248   22.404   47.808   23.663 -0.5599403 32.58603 
1 1 1   31   31    8 o   67.290   23.462   29.094   13.423   40.743   18.081   14.791   20.035   71.842   26.920   50.427   23.497 21.41502 35.73232 
1 1 1   31   31    9 o   35.336   17.271  -8.1830   13.995 -11.8580   17.349  -1.3356   23.682   36.871   18.252   43.221   21.383 -6.349892 28.11376 
1 1 1   31   31   10 o   45.765   20.765   13.466   14.257   15.115   16.599   8.8293   27.839   46.431   21.552   44.287   22.118 2.143887 30.88177 
1 1 1   31   31   11 o  ?   ?  -33.6541   12.469 -29.2348   16.608 -39.3629   18.876   29.775   15.123  ?   ?  0.000000 15.12255 
1 1 1   31   31   12 o   28.989   14.557 -13.5969   12.867 -19.4495   17.971  -7.4420   18.429   31.178   15.825   33.886   17.068 -2.707735 23.27526 
1 1 1   31   33    0 o   52.877   23.559   9.0743   17.439  -7.0732   30.295   17.077   21.327   52.545   25.624   59.462   26.296 -6.917202 36.71567 
1 1 1   31   33    1 o   42.714   20.256  -5.8433   16.080   13.239   26.610 -16.8190   20.181   58.158   27.093   42.361   20.712 15.79780 34.10335 
1 1 1   31   33    2 o   83.214   24.438   36.969   15.000   24.004   20.310   52.530   22.251   63.650   26.873   88.478   30.239 -24.82824 40.45452 
1 1 1   31   33    3 o   37.637   18.136 -10.3260   14.059 -27.3124   20.053   6.0933   19.716   38.498   19.153   51.090   23.634 -12.59206 30.42081 
1 1 1   31   33    4 o   35.968   17.512 -13.0933   13.991   24.038   20.509 -45.4220   19.136   61.577   26.528   32.999   16.705 28.57790 31.34936 
1 1 1   31   33    5 o   43.384   19.792   2.8662   13.177   15.346   18.868  -9.0144   18.410   54.409   24.355   41.809   20.294 12.60001 31.70169 
1 1 1   31   33    6 o   59.799   24.285   22.952   15.712   14.623   18.699   42.956   28.978   52.518   23.810   64.551   29.410 -12.03329 37.84035 
1 1 1   31   33    7 o   42.211   19.849   1.7642   14.851   7.0758   18.113  -9.1317   25.943   46.668   21.938   44.238   21.972 2.430309 31.04861 
1 1 1   31   33    8 o   42.137   19.360   5.3763   12.910   4.8613   17.567   5.9811   19.036   43.918   20.925   44.910   21.503 -0.9919128 30.00386 
1 1 1   31   33    9 o   34.330   16.975 -11.4429   14.854  -7.5857   18.063 -19.4976   26.103   37.975   18.767   39.176   19.800 -1.200592 27.28081 
1 1 1   31   33   10 o   35.714   17.497  -4.0306   14.619 -18.4070   17.079   35.371   28.274   33.066   16.626   49.087   24.107 -16.02091 29.28415 
1 1 1   31   33   11 o   38.889   18.331   7.9834   12.806   19.236   17.348  -5.4879   18.982   44.079   20.942   35.700   17.893 8.378506 27.54551 
1 1 1   31   35    0 o   92.137   26.525   48.734   17.830   43.406   21.335   61.073   32.469   79.120   29.322   79.016   33.693 0.1042404 44.66575 
1 1 1   31   35    1 o   58.056   24.700   17.816   17.376   19.449   28.831   16.884   21.776   59.324   27.819   57.581   25.937 1.742207 38.03484 
1 1 1   31   35    2 o   58.422   23.583   18.317   14.720  -9.4818   20.220   49.662   21.471   43.939   21.314   84.045   29.649 -40.10657 36.51479 
1 1 1   31   35    3 o   55.038   22.965   15.518   14.563   1.7387   20.389   29.867   20.806   48.157   22.828   65.231   27.351 -17.07358 35.62632 
1 1 1   31   35    4 o   66.555   23.896   26.278   14.006   8.0953   19.840   44.340   19.774   50.190   23.385   78.448   28.364 -28.25842 36.76117 
1 1 1   31   35    5 o   29.472   14.945 -40.2480   15.771 -37.7152   18.805 -46.2537   28.956   33.393   16.870   39.854   20.214 -6.460968 26.32894 
1 1 1   31   35    6 o   36.541   17.910 -11.7510   15.359 -11.8878   24.652 -11.6642   19.636   43.151   21.430   40.216   19.817 2.935493 29.18791 
1 1 1   31   35    7 o   56.801   22.387   20.991   12.952   3.8519   18.035   39.245   18.612   44.003   21.031   67.841   26.805 -23.83765 34.07084 
1 1 1   31   35    8 o   41.609   19.242   5.7656   13.053   10.253   17.830   0.5832   19.162   45.437   21.482   41.753   20.365 3.684216 29.60064 
1 1 1   31   35    9 o   49.578   21.854   19.184   14.614   11.227   17.245   39.454   27.524   44.017   20.903   52.097   25.171 -8.080372 32.71901 
1 1 1   31   35   10 o   36.966   18.156  -0.3248   16.047   3.2083   28.741  -1.9253   19.344   40.525   20.510   37.681   18.757 2.843842 27.79387 
1 1 1   31   35   11 o   35.158   17.033   3.1097   12.810   9.2563   17.987  -3.2155   18.247   38.375   18.921   34.872   17.487 3.502777 25.76420 
1 1 1   31   37    0 o   46.800   21.355   4.9359   15.352   28.326   21.098 -21.3838   22.381   63.769   27.176   41.454   20.558 22.31513 34.07567 
1 1 1   31   37    1 o   34.761   17.163 -18.8109   14.983 -26.9508   21.169 -10.6403   21.209   38.862   19.390   43.644   21.317 -4.781898 28.81649 
1 1 1   31   37    2 o   65.607   25.763   28.274   17.094   49.268   28.908   16.987   21.196   70.572   30.933   55.435   25.217 15.13768 39.90887 
1 1 1   31   37    3 o  134.184   16.351   78.940   14.871   99.581   21.347   59.476   20.729  137.477   23.265   92.217   29.073 45.25959 37.23555 
1 1 1   31   37    4 o   46.971   21.669   6.9084   16.404   18.272   19.833 -17.7024   29.186   54.423   24.612   44.809   22.419 9.613834 33.29148 
1 1 1   31   37    5 o   30.734   15.403 -24.6644   14.054 -15.5370   19.947 -33.6613   19.804   39.236   19.450   34.653   17.483 4.583313 26.15261 
1 1 1   31   37    6 o   41.531   19.226   3.7594   13.080   14.798   18.477  -7.3298   18.520   49.770   22.973   39.996   19.616 9.774914 30.20838 
1 1 1   31   37    7 o   40.886   18.953   4.5102   12.776   13.154   18.534  -3.3167   17.637   47.303   22.221   39.869   19.466 7.433456 29.54169 
1 1 1   31   37    8 o   35.914   17.351  -2.8894   13.071  -0.8268   18.309  -5.0331   18.666   39.862   19.541   38.649   19.096 1.213657 27.32207 
1 1 1   31   37    9 o   60.580   25.921   44.113   19.336   22.966   27.406   65.073   27.284   45.411   22.559   59.285   27.556 -13.87398 35.61296 
1 1 1   31   37   10 o   28.097   14.170 -18.8542   12.927 -17.9540   18.481 -19.7165   18.088   32.463   16.431   31.885   16.151 0.5779018 23.04026 
1 1 1   31   39    0 o   42.929   20.188   0.0947   15.368  -5.1830   21.133   6.0180   22.388   44.597   21.670   49.487   23.591 -4.889618 32.03256 
1 1 1   31   39    1 o   57.439   24.047   20.365   16.044   13.570   21.888   28.254   23.585   52.513   24.500   60.065   27.030 -7.551399 36.48108 
1 1 1   31   39    2 o   66.097   25.911   30.990   17.264   34.541   28.887   29.016   21.533   60.382   28.162   60.831   26.679 -0.4480820 38.79281 
1 1 1   31   39    3 o   49.352   22.401   11.394   16.610   4.9912   20.073   25.298   29.579   46.988   22.382   55.628   26.679 -8.639233 34.82428 
1 1 1   31   39    4 o   37.460   18.022  -5.3393   13.744   8.0609   20.052 -17.2128   18.876   47.543   22.567   37.724   18.738 9.818905 29.33204 
1 1 1   31   39    5 o   38.505   18.315  -1.4899   13.342 -24.1694   19.388   18.913   18.389   35.762   17.946   52.071   23.610 -16.30931 29.65607 
1 1 1   31   39    6 o   51.200   21.854   17.417   13.684 -18.8372   19.516   52.480   19.193   36.474   18.261   77.438   27.952 -40.96342 33.38826 
1 1 1   31   39    7 o   41.471   19.204   6.6483   13.065   9.1265   19.156   4.4930   17.864   44.120   21.238   41.944   20.269 2.175564 29.35817 
1 1 1   31   39    8 o   37.280   18.184  -1.1173   15.288 -51.3171   27.794   20.657   18.305  ?   ?    47.603   22.273 0.000000 22.27298 
1 1 1   31   39    9 o   51.784   22.530   27.460   15.087   39.645   18.730   4.9512   25.458   55.181   24.511   39.755   20.028 15.42672 31.65318 
1 1 1   31   41    0 o   60.131   24.428   24.765   15.904   43.462   21.955   4.1237   23.069   69.634   28.541   47.500   22.974 22.13317 36.63880 
1 1 1   31   41    1 o   44.720   20.796   5.0705   15.570 -15.1181   22.560   23.434   21.516   41.187   20.462   55.853   25.407 -14.66654 32.62211 
1 1 1   31   41    2 o   38.367   18.892 -12.1603   17.742 -27.3948   21.941   16.620   30.157   37.575   18.886   51.719   25.295 -14.14485 31.56785 
1 1 1   31   41    3 o   58.457   23.688   23.814   14.913   17.812   22.614   28.434   19.838   51.437   24.280   58.260   25.578 -6.823719 35.26743 
1 1 1   31   41    4 o   39.232   18.646  -0.3688   13.776   20.905   20.267 -18.6411   18.783   52.241   24.095   36.451   18.199 15.78999 30.19547 
1 1 1   31   41    5 o   28.881   14.523 -23.7804   13.057 -42.0953   18.816  -6.7692   18.134  ?   ?    38.889   19.140 0.000000 19.13958 
1 1 1   31   41    6 o   34.037   16.656  -7.5523   13.126  -4.8556   19.386  -9.8353   17.837   39.282   19.418   36.921   18.318 2.360405 26.69461 
1 1 1   31   41    7 o   37.042   17.994  -1.0632   14.551   6.5220   28.475  -3.7441   16.929   42.807   21.516   37.326   18.394 5.480465 28.30698 
1 1 1   31   41    8 f   26.072   13.244 -28.3360   12.778 -21.8233   18.410 -34.3905   17.750   32.361   16.382  ?   ?  0.000000 16.38186 
1 1 1   31   41    9 o   34.381   16.959  -0.6913   14.506  -0.8855   18.126  -0.3453   24.193   35.569   17.776   36.907   18.693 -1.337681 25.79621 
1 1 1   31   43    0 o   36.723   17.430  -2.4951   11.958   56.000   28.172 -15.3510   13.207   66.270   29.705   32.277   15.969 33.99271 33.72475 
1 1 1   31   43    1 f   40.881   20.166  -8.0200   20.522 -10.8244   27.745  -4.6327   30.493   43.414   21.741   45.479   22.778 -2.066006 31.48770 
1 1 1   31   43    2 o   31.140   15.617 -23.3255   14.570 -42.4574   20.936  -5.3553   20.290   33.156   16.853   41.268   20.298 -8.111736 26.38267 
1 1 1   31   43    3 o   71.432   27.880   48.082   19.921   0.0000   0.0000   48.082   19.921  ?   ?    71.432   27.880 0.000000 27.87951 
1 1 1   31   43    4 o   43.204   20.142   7.5780   14.753   15.530   18.944  -4.6751   23.516   47.861   22.478   41.644   20.722 6.217587 30.57229 
1 1 1   31   43    5 o   66.832   23.384   32.622   13.339   7.0019   19.405   55.574   18.367   43.075   20.892   79.347   27.458 -36.27185 34.50204 
1 1 1   31   43    6 o   35.598   17.370  -3.4811   13.981  -3.6976   24.190  -3.3725   17.132   39.953   20.049   37.494   18.482 2.459229 27.26796 
1 1 1   31   43    7 o   43.988   19.860   14.139   12.851   9.7375   18.704   18.075   17.688   41.086   20.057   44.671   21.201 -3.584286 29.18519 
1 1 1   31   43    8 o   34.261   16.654   0.6346   12.519  -9.8434   18.205   10.035   17.243   33.678   16.963   39.185   19.157 -5.507000 25.58787 
1 1 1   31   45    0 o   41.220   19.531   3.2087   14.893 -22.4683   26.999   14.439   17.855   39.792   20.114   47.964   22.293 -8.171627 30.02596 
1 1 1   31   45    1 o   38.732   18.166   1.8780   12.301   17.790   27.654  -2.0469   13.734   48.527   23.834   37.642   18.086 10.88472 29.91924 
1 1 1   31   45    2 o   40.255   18.619   4.6726   12.229 -37.9463   28.195   14.549   13.573  ?   ?    47.953   21.103 0.000000 21.10253 
1 1 1   31   45    3 o   37.910   18.892 -10.5946   19.845   6.1220   27.176 -29.6927   29.047   44.306   22.084  ?   ?  0.000000 22.08365 
1 1 1   31   45    4 o   47.711   20.966   15.999   13.355   25.049   19.784   8.4206   18.103   50.391   23.437   42.867   20.638 7.523964 31.22813 
1 1 1   31   45    5 o   42.726   19.974   10.920   14.669 -19.4049   24.223   28.481   18.433   36.655   18.581   51.574   23.482 -14.91901 29.94394 
1 1 1   31   45    6 o   39.828   18.666   8.3393   12.946   8.1729   18.340   8.5047   18.277   40.314   19.719   40.426   19.755 -0.1114731 27.91206 
1 1 1   31   45    7 o   38.763   18.381   9.0590   13.236   46.165   19.376 -23.4067   18.124   55.531   24.781   30.893   15.701 24.63802 29.33641 
1 1 1   31   47    0 o   38.081   18.092   1.5840   12.942 -23.2341   23.876   11.912   15.402   36.978   18.712   44.839   20.794 -7.860985 27.97403 
1 1 1   31   47    1 o   34.091   16.539  -4.7321   12.185   1.8580   27.433  -6.3517   13.600   42.723   21.427   34.652   16.956 8.070778 27.32430 
1 1 1   31   47    2 o   59.810   22.243   26.371   12.299   39.156   28.128   23.349   13.675   51.349   24.962   53.943   22.359 -2.593845 33.51147 
1 1 1   31   47    3 o   25.613   12.986 -27.3899   11.873 -21.2488   26.286 -28.9639   13.308   37.306   18.955   27.003   13.697 10.30309 23.38580 
1 1 1   31   47    4 o   42.855   20.694   13.012   18.537   0.0000   0.0000   13.012   18.537  ?   ?    42.855   20.694 0.000000 20.69353 
1 1 1   31   47    5 o   35.296   17.114   0.5809   12.995  -7.8947   17.533   10.913   19.358   34.694   17.361   40.758   20.002 -6.063229 26.48573 
1 1 1   31   49    0 o   33.743   16.387  -3.3555   12.046   29.737   25.612 -12.7555   13.651   47.495   23.246   31.512   15.698 15.98294 28.05028 
1 1 1   31   49    1 o   58.948   23.233   30.668   13.949   36.288   27.066   28.636   16.277   48.447   23.751   53.011   23.224 -4.564133 33.21843 
1 1 1   31   49    2 o   46.095   20.351   16.516   12.723   17.122   26.718   16.338   14.469   43.069   21.533   45.022   20.615 -1.953499 29.81047 
1 1 1   31   49    3 o   44.108   20.110   15.613   13.577   0.0000   0.0000   15.613   13.577  ?   ?    44.108   20.110 0.000000 20.10975 
1 1 1   32    0    0 o   54.306   34.761   2.6166   29.378   2.6166   29.378   2.6166   29.378   54.306   34.761   54.306   34.761 0.000000 0.000000 
1 1 1   32    0    1 o   98.495   43.429   49.854   31.077   49.854   31.077   49.854   31.077   98.495   43.429   98.495   43.429 0.000000 0.000000 
1 1 1   32    0    2 o   38.633   27.018 -26.0781   26.784 -26.0781   26.784 -26.0781   26.784   38.633   27.018   38.633   27.018 0.000000 0.000000 
1 1 1   32    0    3 o  261.453   18.632  242.244   33.322  242.244   33.322  242.244   33.322  261.453   18.632  261.453   18.632 0.000000 0.000000 
1 1 1   32    0    4 o   62.374   37.525   15.015   29.319   15.015   29.319   15.015   29.319   62.374   37.525   62.374   37.525 0.000000 0.000000 
1 1 1   32    0    5 o   53.523   34.138   3.8834   28.025   3.8834   28.025   3.8834   28.025   53.523   34.138   53.523   34.138 0.000000 0.000000 
1 1 1   32    0    6 o   39.858   27.829 -25.5073   28.094 -25.5073   28.094 -25.5073   28.094   39.858   27.829   39.858   27.829 0.000000 0.000000 
1 1 1   32    0    7 o   39.626   27.703 -25.7512   28.092 -25.7512   28.092 -25.7512   28.092   39.626   27.703   39.626   27.703 0.000000 0.000000 
1 1 1   32    0    8 o   59.954   33.280   18.663   20.356   18.663   20.356   18.663   20.356   59.954   33.280   59.954   33.280 0.000000 0.000000 
1 1 1   32    0    9 o   45.817   28.660   5.7532   18.697   5.7532   18.697   5.7532   18.697   45.817   28.660   45.817   28.660 0.000000 0.000000 
1 1 1   32    0   10 o  129.821   23.922   66.348   19.343   66.348   19.343   66.348   19.343  129.821   23.922  129.821   23.922 0.000000 0.000000 
1 1 1   32    0   11 o   80.632   33.484   34.481   18.613   34.481   18.613   34.481   18.613   80.632   33.484   80.632   33.484 0.000000 0.000000 
1 1 1   32    0   12 o   30.061   21.386 -23.2080   19.260 -23.2080   19.260 -23.2080   19.260   30.061   21.386   30.061   21.386 0.000000 0.000000 
1 1 1   32    0   13 o   43.629   27.930   5.7447   18.973   5.7447   18.973   5.7447   18.973   43.629   27.930   43.629   27.930 0.000000 0.000000 
1 1 1   32    0   14 o  123.090   36.802   78.390   27.305   78.390   27.305   78.390   27.305  123.090   36.802  123.090   36.802 0.000000 0.000000 
1 1 1   32    0   15 o   33.613   23.137  -5.1908   17.725  -5.1908   17.725  -5.1908   17.725   33.613   23.137   33.613   23.137 0.000000 0.000000 
1 1 1   32    2    0 o  131.542   24.487   74.742   21.473   78.537   30.526   71.024   30.212  121.627   34.609  114.524   34.935 7.102814 49.17560 
1 1 1   32    2    1 o  146.212   21.396   88.208   21.011   87.220   28.898   89.317   30.604  132.575   31.885  131.827   33.479 0.7484131 46.23296 
1 1 1   32    2    2 o   45.073   21.166  -9.5169   16.788  -0.5616   20.523 -27.6244   29.183   54.468   24.791   51.834   25.249 2.634491 35.38498 
1 1 1   32    2    3 o   84.237   29.503   36.279   21.236   36.279   21.236   0.0000   0.0000   84.237   29.503  ?   ?  0.000000 29.50339 
1 1 1   32    2    4 o   39.092   19.008 -19.4623   16.339 -38.3666   19.790   21.015   28.958   37.676   18.790   69.728   30.748 -32.05125 36.03473 
1 1 1   32    2    5 o   75.474   25.604   28.384   15.950   53.183   19.789 -17.6049   26.949  102.298   27.400   50.565   24.546 51.73281 36.78701 
1 1 1   32    2    6 o   33.887   16.894 -30.4480   15.940 -29.1065   19.742 -32.9610   27.020   39.153   19.398   45.302   22.487 -6.149597 29.69777 
1 1 1   32    2    7 o   38.352   18.663 -15.4187   15.834  -1.1415   28.324 -21.9088   19.097   53.872   25.907   39.862   19.623 14.01041 32.49945 
1 1 1   32    2    8 o   62.141   24.608   21.882   15.719   32.605   28.525   17.205   18.837   65.227   29.505   57.496   25.091 7.730721 38.73142 
1 1 1   32    2    9 o   45.102   20.960   3.0024   15.774   17.620   28.510  -3.4455   18.936   55.395   26.466   44.095   21.200 11.29991 33.91000 
1 1 1   32    2   10 o   43.189   19.806   4.9080   13.425 -15.8397   19.226   24.650   18.755   38.454   19.068   57.298   25.020 -18.84340 31.45747 
1 1 1   32    2   11 o   35.079   17.097  -7.2339   13.438   10.190   19.216 -23.9077   18.798   45.866   21.862   34.627   17.415 11.23850 27.95014 
1 1 1   32    2   12 o   36.518   17.676  -1.1821   13.719   13.057   20.038 -13.7449   18.821   44.217   21.392   35.543   17.815 8.674091 27.83898 
1 1 1   32    2   13 o   30.511   15.356 -16.5366   14.767 -18.6341   25.275 -15.4496   18.195  ?   ?    33.057   16.688 0.000000 16.68786 
1 1 1   32    2   14 o   27.246   13.774 -17.2966   12.715 -13.0679   17.587 -21.9284   18.406   31.362   15.891  ?   ?  0.000000 15.89054 
1 1 1   32    2   15 o   37.136   18.418   23.547   17.972   37.732   24.326   6.5024   26.666   37.576   19.002  ?   ?  0.000000 19.00209 
1 1 1   32    4    0 o   69.113   28.018   18.894   20.874   30.141   28.821   6.4829   30.274   79.437   32.647   66.117   30.099 13.31985 44.40465 
1 1 1   32    4    1 o  134.039   20.145   73.103   18.111   83.422   22.247   52.829   31.184  139.264   23.945   95.909   35.468 43.35583 42.79408 
1 1 1   32    4    2 o   40.470   19.640 -20.6906   17.216 -38.5927   20.768   18.639   30.782   39.453   19.606   71.551   31.619 -32.09773 37.20461 
1 1 1   32    4    3 o   73.909   26.211   25.568   16.803   24.702   20.315   27.444   29.895   72.512   28.195   75.107   32.186 -2.595764 42.78880 
1 1 1   32    4    4 o   45.580   21.243  -5.9161   16.391  -2.5912   20.168 -12.3854   28.132   51.558   23.870   54.184   25.995 -2.626495 35.29149 
1 1 1   32    4    5 o   37.889   18.227 -13.3751   14.052   28.042   20.648 -49.1001   19.177   72.619   28.373   33.942   17.134 38.67641 33.14511 
1 1 1   32    4    6 o   71.489   23.784   25.365   13.766   51.969   20.229   2.4182   18.787   97.091   28.341   51.127   23.440 45.96409 36.77797 
1 1 1   32    4    7 o   38.787   18.385  -7.0759   13.220  -4.8143   19.128  -9.1440   18.291   46.417   22.035   43.705   20.966 2.711300 30.41529 
1 1 1   32    4    8 o   63.323   23.910   22.356   14.321   6.6918   21.102   35.729   19.498   51.632   24.077   73.037   27.822 -21.40490 36.79354 
1 1 1   32    4    9 o   37.754   18.375 -11.0169   15.369 -50.2927   28.490   5.1021   18.252   39.344   19.965   47.583   22.256 -8.238838 29.89899 
1 1 1   32    4   10 o   68.069   25.478   33.537   16.187   60.976   29.344   21.536   19.407   69.582   30.804   54.728   24.584 14.85368 39.41167 
1 1 1   32    4   11 o   34.738   17.046  -9.3481   14.045 -21.9936   20.364   2.1240   19.396   36.152   18.174   42.532   20.688 -6.379505 27.53692 
1 1 1   32    4   12 o   49.994   22.318   21.856   15.731   42.785   29.233   13.324   18.664   51.043   24.951   44.250   21.214 6.792591 32.75079 
1 1 1   32    4   13 o   30.362   15.132 -10.9913   12.748  -3.3006   17.982 -18.7609   18.074   35.847   17.883   32.224   16.304 3.622704 24.19960 
1 1 1   32    4   14 o   29.616   14.825  -8.8975   12.840  -1.5943   17.896 -16.6468   18.434   33.904   17.043   30.996   15.761 2.908110 23.21397 
1 1 1   32    4   15 o   27.736   14.087 -12.2291   14.404  -3.9027   17.059 -32.9073   26.883   30.401   15.429  ?   ?  0.000000 15.42934 
1 1 1   32    6    0 o   58.801   24.550   10.111   16.656   11.649   27.517   9.2213   20.925   66.944   29.724   61.338   26.609 5.605656 39.89435 
1 1 1   32    6    1 o   44.482   20.406  -4.5055   14.268 -17.8473   19.523   10.794   20.906   44.866   21.559   62.243   26.799 -17.37680 34.39479 
1 1 1   32    6    2 o   75.689   25.934   26.445   16.366   42.062   19.973  -5.4780   28.555   92.509   28.437   58.601   27.546 33.90799 39.59092 
1 1 1   32    6    3 o  142.521   15.385   78.664   14.935   67.369   21.238   89.714   21.007  120.365   26.235  145.423   21.521 -25.05766 33.93259 
1 1 1   32    6    4 o   73.146   23.924   24.965   13.950   32.127   19.751   17.836   19.706   78.542   28.355   64.806   26.849 13.73555 39.05008 
1 1 1   32    6    5 o   56.178   22.774   12.164   13.791   46.961   20.694 -15.6325   18.496   92.514   29.031   42.797   20.667 49.71749 35.63551 
1 1 1   32    6    6 o   61.683   23.186   18.005   13.433  -0.9368   19.904   33.847   18.203   50.016   23.344   77.812   27.312 -27.79636 35.92879 
1 1 1   32    6    7 o   62.034   23.227   19.502   13.456   8.3998   19.622   29.358   18.487   53.539   24.319   70.198   27.007 -16.65887 36.34249 
1 1 1   32    6    8 f   49.253   21.500   8.7347   13.839  -9.4746   20.421   24.202   18.821   44.100   21.399   62.560   26.105 -18.45970 33.75510 
1 1 1   32    6    9 o   38.250   18.193  -4.5869   13.161 -41.9771   19.485   26.789   17.849   33.377   16.892   62.450   25.682 -29.07306 30.73892 
1 1 1   32    6   10 o   81.808   25.206   43.721   15.682   57.805   27.943   37.246   18.946   69.096   30.346   66.967   26.852 2.128975 40.52028 
1 1 1   32    6   11 o   44.488   21.390   7.6942   19.284   0.0000   0.0000   7.6942   19.284  ?   ?    44.488   21.390 0.000000 21.38970 
1 1 1   32    6   12 o   38.262   18.296   2.8697   13.687   2.1574   20.033   3.4933   18.743   40.204   19.849   40.298   19.758 -0.9319305E-01 28.00651 
1 1 1   32    6   13 o   33.630   16.522  -2.9144   13.320   14.885   18.719 -21.1728   18.959   41.585   20.249   32.159   16.316 9.425804 26.00418 
1 1 1   32    6   14 o   45.788   21.042   27.613   15.264   21.863   25.789   30.713   18.937   38.628   19.537   43.617   21.026 -4.989140 28.70108 
1 1 1   32    6   15 o  ?   ?  -27.2785   12.310 -22.7261   16.886 -32.4423   17.984  ?   ?   ?   ?  0.000000      ? 
1 1 1   32    8    0 o   51.694   22.882   2.2421   16.186   6.3366   25.933  -0.3708   20.716   62.680   28.263   54.742   24.912 7.937931 37.67511 
1 1 1   32    8    1 o   37.373   18.067 -17.0230   14.229 -40.0518   19.879   7.1688   20.375   37.865   18.875   58.984   25.908 -21.11925 32.05515 
1 1 1   32    8    2 o  121.810   17.792   59.327   14.557   58.836   20.744   59.803   20.433  111.605   27.122  113.301   26.525 -1.696175 37.93642 
1 1 1   32    8    3 o   83.678   23.236   31.721   13.936   25.877   20.111   37.119   19.328   72.913   28.136   85.498   28.170 -12.58519 39.81411 
1 1 1   32    8    4 o   99.241   21.370   43.169   14.244   38.853   20.594   47.128   19.723   84.813   29.090   95.720   27.997 -10.90607 40.37422 
1 1 1   32    8    5 o   49.605   21.536   5.5936   13.727   2.5964   19.958   8.2843   18.910   52.864   24.208   55.672   24.683 -2.807823 34.57308 
1 1 1   32    8    6 o   59.213   24.206   15.949   15.740   36.971   30.203   8.1108   18.442   72.747   31.759   53.999   24.131 18.74720 39.88633 
1 1 1   32    8    7 o   49.381   21.405   7.7984   13.517   11.214   19.950   4.8996   18.379   55.085   24.818   50.504   23.165 4.580715 33.94947 
1 1 1   32    8    8 o   76.579   24.029   32.706   14.178   36.606   20.902   29.381   19.295   71.413   28.346   66.357   26.925 5.055267 39.09527 
1 1 1   32    8    9 o   33.930   16.631 -13.6919   13.249 -20.7095   19.108  -7.1939   18.387   37.905   18.832   41.763   20.274 -3.858635 27.67074 
1 1 1   32    8   10 o   52.185   22.831   17.236   15.683 -34.8390   28.014   41.008   18.927   39.616   20.071   70.046   27.220 -30.43040 33.81999 
1 1 1   32    8   11 o   33.437   16.523 -12.0840   13.990 -12.6813   21.039 -11.6105   18.731   38.457   19.210   37.390   18.587 1.067310 26.73006 
1 1 1   32    8   12 o   52.987   23.103   26.906   15.937   62.146   28.653   11.121   19.177   56.910   27.002   42.860   20.783 14.05051 34.07446 
1 1 1   32    8   13 o   31.097   15.637 -14.2903   15.135 -19.4293   25.418 -11.4677   18.838  ?   ?    33.893   17.094 0.000000 17.09417 
1 1 1   32    8   14 o   30.993   15.531  -6.2347   14.271 -13.9358   17.667   8.2293   24.212   30.840   15.657   36.127   18.340 -5.286249 24.11450 
1 1 1   32   10    0 o   35.722   17.710 -30.9660   16.554 -25.4146   27.062 -34.2854   20.926   50.149   24.403   40.722   20.139 9.427074 31.63943 
1 1 1   32   10    1 o   39.090   18.662 -12.8021   14.119 -25.2766   19.391   1.2750   20.599   41.520   20.302   55.042   24.969 -13.52133 32.18092 
1 1 1   32   10    2 o  140.914   15.326   76.868   14.706   93.745   20.671   59.571   20.926  149.942   20.452  111.462   27.335 38.48086 34.13910 
1 1 1   32   10    3 o   37.009   17.807 -13.9504   13.428 -13.0381   18.989 -14.8630   18.991   45.223   21.604   44.441   21.330 0.7818604 30.36007 
1 1 1   32   10    4 o   51.260   21.800   7.1114   13.527   4.0269   19.720   9.8530   18.591   54.172   24.516   57.282   24.964 -3.109974 34.98919 
1 1 1   32   10    5 o  119.745   17.640   59.536   14.182   67.790   20.652   52.170   19.508  116.724   26.206   99.672   27.420 17.05238 37.92931 
1 1 1   32   10    6 o   38.741   18.501  -9.4769   13.899   37.583   20.257 -51.3389   19.106   78.680   28.668   32.744   16.588 45.93621 33.12144 
1 1 1   32   10    7 o   80.135   23.931   33.953   14.288   14.262   21.243   50.218   19.307   56.885   25.621   91.743   27.914 -34.85780 37.88977 
1 1 1   32   10    8 o   38.201   18.322  -7.7192   13.954 -21.5497   20.467   4.2924   19.074   39.813   19.729   48.630   22.748 -8.817371 30.11187 
1 1 1   32   10    9 o   34.164   16.964 -20.0853   15.426 -21.6976   27.522 -19.3468   18.627   43.221   21.645   37.667   18.693 5.553360 28.59989 
1 1 1   32   10   10 o   38.049   18.199  -2.8652   13.557 -13.9290   20.264   6.0987   18.240   39.134   19.434   45.265   21.497 -6.130634 28.97897 
1 1 1   32   10   11 o   49.452   21.325   16.581   13.278   2.9822   18.607   30.691   18.953   41.857   20.337   56.143   24.811 -14.28598 32.08050 
1 1 1   32   10   12 o   32.768   16.188  -8.4684   13.399 -16.7544   18.893  -0.0831   19.006   34.311   17.282   38.704   19.150 -4.392529 25.79499 
1 1 1   32   10   13 o   33.355   16.543  -4.5734   14.509  -8.8585   24.396  -2.2282   18.048   35.962   18.271   35.568   17.770 0.3937340 25.48759 
1 1 1   32   10   14 o   30.736   15.427  -6.4933   14.365   8.2488   24.703 -14.0257   17.658  ?   ?    30.580   15.538 0.000000 15.53779 
1 1 1   32   12    0 o   72.348   26.602   24.447   17.499   86.585   28.721 -12.2378   22.068  128.154   32.372   49.537   23.560 78.61722 40.03764 
1 1 1   32   12    1 o  120.681   18.214   58.940   14.739   39.117   20.718   79.255   20.974   87.021   29.182  134.323   23.412 -47.30194 37.41263 
1 1 1   32   12    2 o   51.318   21.761   6.5503   13.411   9.0127   18.656   3.9173   19.292   57.750   25.089   54.724   24.552 3.026279 35.10342 
1 1 1   32   12    3 o  125.733   16.297   62.933   13.848   69.106   19.522   56.680   19.648  123.520   23.697  107.988   26.489 15.53187 35.54171 
1 1 1   32   12    4 o   66.733   23.565   20.970   13.567   12.759   20.064   27.889   18.416   59.698   25.977   73.003   27.205 -13.30533 37.61564 
1 1 1   32   12    5 o   43.773   19.934  -0.5713   13.294  -9.2210   19.443   7.0228   18.218   45.864   21.897   53.612   23.969 -7.748234 32.46517 
1 1 1   32   12    6 o   48.626   21.443   5.7783   14.084   30.893   20.785 -15.5424   19.151   70.911   28.229   42.186   20.528 28.72519 34.90388 
1 1 1   32   12    7 o   40.693   19.603  -9.7872   16.396   33.449   31.879 -25.3368   19.118   65.472   30.205   38.128   18.924 27.34455 35.64382 
1 1 1   32   12    8 o   40.303   19.369  -6.9932   15.771   4.1146   28.549 -11.8716   18.920   51.763   25.159   41.259   20.149 10.50330 32.23276 
1 1 1   32   12    9 o   51.097   21.824   13.837   13.662   9.2072   19.604   18.209   19.051   48.943   22.948   53.961   24.288 -5.018013 33.41409 
1 1 1   32   12   10 o   58.680   22.851   23.276   13.360   29.152   19.316   17.886   18.499   58.033   25.365   51.064   23.355 6.968895 34.47950 
1 1 1   32   12   11 o   33.401   16.424  -9.2537   13.252 -28.1759   18.863   9.1893   18.622   33.060   16.719   43.949   21.102 -10.88939 26.92254 
1 1 1   32   12   12 o   40.809   18.969   9.0313   12.929  -5.4150   17.512   26.342   19.170   36.200   17.992   48.650   22.773 -12.45002 29.02260 
1 1 1   32   12   13 o   37.150   18.446   4.4769   18.228   4.4769   18.228   0.0000   0.0000   37.150   18.446  ?   ?  0.000000 18.44584 
1 1 1   32   12   14 o  ?   ?  -32.9874   14.195 -16.9268   23.562 -42.1368   17.784  ?   ?   ?   ?  0.000000      ? 
1 1 1   32   14    0 o   39.082   19.080 -21.8002   16.931 -26.9951   26.792 -18.3462   21.846   48.619   23.792   46.499   22.456 2.120182 32.71600 
1 1 1   32   14    1 o   75.211   24.469   26.528   14.600   17.614   20.390   35.908   20.916   65.176   27.183   82.370   29.240 -17.19382 39.92359 
1 1 1   32   14    2 o   61.490   23.379   16.159   13.752   18.310   19.226   13.906   19.677   64.925   26.671   61.475   26.222 3.449490 37.40270 
1 1 1   32   14    3 o   43.726   19.845  -1.1491   13.030  -3.5407   18.786   1.0683   18.089   48.948   22.789   50.900   23.209 -1.952518 32.52685 
1 1 1   32   14    4 o   54.948   22.380   11.580   13.392   22.148   19.788   2.6491   18.191   66.388   27.140   51.274   23.338 15.11398 35.79483 
1 1 1   32   14    5 o   96.639   21.173   42.692   13.770   20.157   20.022   62.919   18.969   63.261   26.694  112.639   24.986 -49.37835 36.56324 
1 1 1   32   14    6 o   43.390   20.027  -0.9235   14.039  -9.2129   21.160   5.5947   18.764   46.085   22.218   51.347   23.498 -5.261681 32.33883 
1 1 1   32   14    7 o   99.885   29.799   64.780   22.162   51.171   31.722   77.756   30.975   72.910   32.165   91.481   35.014 -18.57056 47.54568 
1 1 1   32   14    8 o   37.510   18.022  -7.4427   13.635 -30.1912   19.568   14.025   19.009   36.202   18.148   53.121   24.052 -16.91936 30.13089 
1 1 1   32   14    9 o   43.756   19.956   5.4235   13.383 -10.2531   19.070   20.637   18.787   40.287   19.788   54.932   24.466 -14.64537 31.46640 
1 1 1   32   14   10 o   32.923   16.231 -12.6323   13.228   11.686   18.914 -35.9165   18.507   47.128   22.234   32.095   16.266 15.03270 27.54875 
1 1 1   32   14   11 o   33.510   16.522  -9.4848   13.714 -14.4817   19.170  -4.2472   19.627   36.070   18.064   39.070   19.354 -2.999733 26.47449 
1 1 1   32   14   12 o   28.007   14.145 -22.0508   13.158 -36.3922   17.576  -3.7611   19.848  ?   ?    37.229   18.605 0.000000 18.60524 
1 1 1   32   14   13 o   42.717   19.475   16.313   12.733   21.119   18.173   11.678   17.845   42.388   20.473   38.942   19.130 3.446129 28.02027 
1 1 1   32   14   14 o   28.871   14.596 -11.2596   14.281 -19.5979   17.185   7.3512   25.673  ?   ?   ?   ?  0.000000      ? 
1 1 1   32   16    0 o   45.013   21.249  -8.7747   17.324   7.9317   28.105 -19.0123   22.001   61.957   28.503   46.016   22.301 15.94184 36.19000 
1 1 1   32   16    1 o   46.645   20.904   0.8703   13.943   0.4385   19.345   1.3373   20.116   52.025   23.827   53.212   24.344 -1.186787 34.06418 
1 1 1   32   16    2 o   55.163   22.706   10.811   13.969   8.4247   20.131   13.028   19.400   57.171   25.402   60.007   25.827 -2.836403 36.22537 
1 1 1   32   16    3 o   33.721   16.540 -19.3218   13.181 -53.9431   19.154   11.822   18.167   32.799   16.615   57.837   24.942 -25.03859 29.96955 
1 1 1   32   16    4 o   36.060   17.440 -13.7528   13.289  -1.2547   19.758 -24.0769   17.957   49.896   23.278   38.506   18.970 11.38957 30.02831 
1 1 1   32   16    5 o   72.040   25.545   28.312   15.959   48.556   29.878   20.230   18.878   78.603   32.854   62.528   26.123 16.07520 41.97372 
1 1 1   32   16    6 o   55.540   23.418   14.167   15.390   34.561   28.335   5.6340   18.328   67.912   30.157   50.559   23.170 17.35276 38.03029 
1 1 1   32   16    7 o   39.815   18.809  -4.1314   13.618 -10.8044   19.331   2.4420   19.186   42.425   20.640   47.960   22.555 -5.534706 30.57358 
1 1 1   32   16    8 o   59.549   23.365   21.325   14.048   17.641   20.657   24.495   19.162   54.631   24.867   59.501   25.638 -4.870590 35.71696 
1 1 1   32   16    9 o   32.618   16.112 -15.2497   13.256 -16.0247   18.948 -14.5069   18.551   38.023   18.867   38.161   18.888 -0.1377182 26.69657 
1 1 1   32   16   10 o   46.347   20.673   11.888   13.467   9.4113   19.159   14.306   18.935   45.491   21.724   47.764   22.445 -2.273228 31.23635 
1 1 1   32   16   11 f   34.877   17.047  -5.0775   13.630 -42.5994   18.847   36.063   19.735  ?   ?    56.260   25.065 0.000000 25.06476 
1 1 1   32   16   12 o   26.631   13.504 -25.6790   12.863 -23.0179   17.167 -29.0855   19.423   31.049   15.729  ?   ?  0.000000 15.72881 
1 1 1   32   16   13 o   35.095   17.237   3.2596   14.468   8.7574   17.270  -9.6829   26.497   37.395   18.456  ?   ?  0.000000 18.45643 
1 1 1   32   16   14 o   32.566   16.065   4.2901   13.025   20.821   17.995 -13.8973   18.876   37.475   18.558  ?   ?  0.000000 18.55824 
1 1 1   32   18    0 o   50.840   22.929   2.4900   17.079 -44.6293   28.055   30.237   21.529   44.429   22.191   74.530   29.012 -30.10108 36.52585 
1 1 1   32   18    1 o   45.443   20.615  -0.4216   14.042 -23.7997   19.721   23.617   19.998   41.314   20.258   68.551   27.552 -27.23633 34.19788 
1 1 1   32   18    2 o   55.484   22.860   11.538   14.176  -7.0361   20.483   28.612   19.639   48.405   22.927   72.748   27.872 -24.34270 36.08977 
1 1 1   32   18    3 o   39.851   18.694  -6.0770   13.036   5.0338   19.527 -15.0102   17.509   53.362   24.247   41.368   20.009 11.99460 31.43686 
1 1 1   32   18    4 o   64.541   24.749   21.257   15.494   9.9220   29.183   25.706   18.283   59.276   27.858   68.221   26.686 -8.945076 38.57764 
1 1 1   32   18    5 f   45.993   21.189   0.6481   15.608   6.3415   28.460  -1.8007   18.665   56.135   26.715   47.294   22.244 8.841846 34.76326 
1 1 1   32   18    6 o   32.369   16.047 -21.5233   13.587 -24.5583   19.733 -18.7874   18.736   38.858   19.277   39.614   19.489 -0.7561531 27.41148 
1 1 1   32   18    7 o   72.540   23.772   30.120   13.771   26.970   19.672   33.147   19.284   62.812   26.479   68.471   27.212 -5.658974 37.96880 
1 1 1   32   18    8 o   52.786   23.099   15.728   16.061   14.483   19.789   18.132   27.493   51.995   23.918   53.832   25.792 -1.837280 35.17559 
1 1 1   32   18    9 o   53.558   24.125   21.128   18.840   0.0000   0.0000   21.128   18.840  ?   ?    53.558   24.125 0.000000 24.12514 
1 1 1   32   18   10 o   40.059   18.905   3.2086   13.694   6.8772   18.974  -0.7800   19.784   43.725   21.070   41.181   20.213 2.543846 29.19753 
1 1 1   32   18   11 o   45.347   20.436   14.447   13.537   31.336   18.297  -5.9784   20.122   53.715   24.018   37.853   18.889 15.86187 30.55542 
1 1 1   32   18   12 o   33.132   16.421  -5.9337   14.196  -8.3556   16.633   0.5620   27.240   33.811   16.917   38.579   19.571 -4.767822 25.86931 
1 1 1   32   18   13 o   43.841   19.588   19.025   12.145   28.681   15.866   5.3604   18.875   46.164   21.302   35.869   17.958 10.29531 27.86103 
1 1 1   32   18   14 o   28.298   14.244  -6.9450   12.730 -10.1590   17.816  -3.5925   18.196  ?   ?    30.959   15.734 0.000000 15.73425 
1 1 1   32   20    0 o   53.486   23.342   7.8802   16.302 -10.8049   26.576   19.153   20.642   51.817   24.961   64.086   27.076 -12.26892 36.82643 
1 1 1   32   20    1 o   89.279   25.238   39.955   16.288   49.317   27.004   34.602   20.420   85.742   32.723   77.800   28.716 7.941589 43.53588 
1 1 1   32   20    2 o   65.242   23.936   20.797   14.156   18.424   21.179   22.713   19.032   62.797   27.006   66.224   26.786 -3.426842 38.03679 
1 1 1   32   20    3 o   60.525   24.656   17.354   16.259   29.332   33.490   13.660   18.598   68.109   31.251   57.895   25.101 10.21384 40.08387 
1 1 1   32   20    4 o   63.333   25.048   21.154   16.267   62.976   32.642   7.3364   18.762   84.614   34.755   52.752   23.890 31.86209 42.17389 
1 1 1   32   20    5 o   40.303   18.965  -4.4836   13.598  -2.4148   20.308  -6.1651   18.308   47.654   22.646   44.378   21.204 3.275898 31.02391 
1 1 1   32   20    6 o   40.560   19.003  -2.5422   13.401 -48.2267   19.159   41.222   18.752   32.444   16.454   79.095   27.723 -46.65053 32.23817 
1 1 1   32   20    7 o   73.753   23.638   31.536   13.661   25.380   20.213   36.712   18.534   60.197   26.134   71.601   27.161 -11.40346 37.69210 
1 1 1   32   20    8 o   53.226   21.991   16.450   13.166   6.2176   18.798   26.303   18.446   46.705   22.074   59.210   25.326 -12.50488 33.59566 
1 1 1   32   20    9 o   65.932   23.650   29.928   13.717   16.120   19.746   42.804   19.069   49.578   23.177   69.233   27.203 -19.65529 35.73717 
1 1 1   32   20   10 o   34.501   16.905  -7.3883   13.659 -16.0486   19.424   1.0841   19.212   36.126   18.106   40.962   20.067 -4.835804 27.02752 
1 1 1   32   20   11 o   31.353   15.729 -16.5180   14.841 -16.9017   17.605 -15.5756   27.591   33.339   16.778   37.905   19.275 -4.566200 25.55432 
1 1 1   32   20   12 o   36.010   17.331   3.9548   12.737   10.573   16.917  -4.7062   19.353   39.479   19.229   35.364   17.770 4.115410 26.18298 
1 1 1   32   20   13 o   33.579   16.340   3.7718   12.136   18.329   15.972 -16.1150   18.668   39.661   19.165  ?   ?  0.000000 19.16548 
1 1 1   32   22    0 f   53.847   23.760   8.4262   17.319   16.371   29.872   4.4036   21.256   62.990   29.123   53.812   24.767 9.177849 38.23006 
1 1 1   32   22    1 o   53.734   24.557   5.5839   20.399   0.0000   0.0000   5.5839   20.399  ?   ?    53.734   24.557 0.000000 24.55700 
1 1 1   32   22    2 o   47.083   21.699   0.1110   16.388   13.537   29.647  -5.7959   19.665   60.743   28.397   47.022   22.328 13.72004 36.12384 
1 1 1   32   22    3 o   62.263   23.897   19.686   14.453  -2.5889   21.138   39.240   19.805   49.135   23.278   79.943   28.445 -30.80720 36.75613 
1 1 1   32   22    4 o   66.128   23.923   23.480   14.070 -10.2530   20.310   54.611   19.511   44.634   21.579   97.053   27.687 -52.41911 35.10350 
1 1 1   32   22    5 o   39.958   18.800  -3.8674   13.354 -16.5077   19.547   7.1943   18.286   41.008   20.120   50.591   23.169 -9.582565 30.68590 
1 1 1   32   22    6 o   50.688   21.691   11.517   13.543   0.3551   19.603   21.710   18.732   46.616   22.181   59.023   25.391 -12.40681 33.71485 
1 1 1   32   22    7 f   38.288   18.235  -4.2109   13.311   10.143   19.214 -17.4582   18.458   49.758   23.127   38.067   18.841 11.69117 29.83026 
1 1 1   32   22    8 o   44.424   20.218   7.0457   13.647   14.872   19.487  -0.4861   19.117   50.339   23.361   43.208   20.902 7.130894 31.34685 
1 1 1   32   22    9 o   37.581   18.025  -1.9614   13.504  -3.9222   18.791   0.1331   19.420   40.204   19.726   41.901   20.451 -1.696407 28.41410 
1 1 1   32   22   10 o   37.612   18.292  -1.3184   15.147 -14.4571   17.652   35.376   29.500   34.887   17.452   49.842   24.507 -14.95440 30.08609 
1 1 1   32   22   11 o   42.243   19.789   12.348   14.523   12.246   17.350   12.585   26.544   41.935   20.193   41.809   20.983 0.1261787 29.12102 
1 1 1   32   22   12 o   32.895   16.121  -1.3476   12.438   18.662   16.926 -24.8406   18.340   41.979   20.146  ?   ?  0.000000 20.14562 
1 1 1   32   22   13 o   35.096   17.021   8.4284   12.880 -22.4025   17.825   42.119   18.633  ?   ?    46.649   22.026 0.000000 22.02644 
1 1 1   32   24    0 o   40.329   19.559 -14.5405   17.006 -28.0098   30.730  -8.5942   20.418   48.220   23.943   46.277   22.186 1.943012 32.64233 
1 1 1   32   24    1 o  114.222   27.509   70.645   21.488   0.0000   0.0000   70.645   21.488  ?   ?   114.222   27.509 0.000000 27.50949 
1 1 1   32   24    2 o   44.933   20.584   0.6348   14.449  -0.7191   20.302   2.0246   20.570   49.161   23.145   50.674   23.678 -1.513340 33.11095 
1 1 1   32   24    3 o   44.121   20.183   0.9552   13.822 -10.7234   19.300   13.255   19.806   43.526   21.042   56.016   25.022 -12.49053 32.69312 
1 1 1   32   24    4 o   84.859   23.724   38.182   14.476   46.528   20.598   30.037   20.348   83.113   29.060   67.269   27.513 15.84377 40.01818 
1 1 1   32   24    5 o   67.154   23.716   25.821   13.742   6.1767   20.223   42.672   18.730   50.061   23.419   80.001   27.726 -29.94013 36.29298 
1 1 1   32   24    6 o   95.716   21.184   46.360   13.663   29.373   19.777   61.868   18.897   63.184   26.589  100.564   26.702 -37.38012 37.68228 
1 1 1   32   24    7 o   43.825   19.991   5.4441   13.440   8.3627   19.575   2.8412   18.486   48.020   22.644   45.036   21.460 2.984566 31.19753 
1 1 1   32   24    8 o   43.946   20.039   7.4459   13.488   12.313   19.494   2.9767   18.681   48.019   22.630   43.637   20.998 4.381943 30.87090 
1 1 1   32   24    9 o   34.333   16.988 -11.6822   14.963 -18.0000   22.710  -6.8359   19.890   37.888   19.066   39.176   19.420 -1.288078 27.21496 
1 1 1   32   24   10 o   33.773   16.694  -8.4691   14.319 -18.6407   16.669   20.171   27.970   32.632   16.409   45.190   22.505 -12.55878 27.85228 
1 1 1   32   24   11 o   33.055   16.138  -2.8071   12.113   20.318   16.145 -32.5872   18.322   45.323   21.110  ?   ?  0.000000 21.11022 
1 1 1   32   24   12 o   46.258   20.393   22.110   12.729   30.750   17.659   12.765   18.365   45.969   21.625   38.388   18.962 7.580906 28.76147 
1 1 1   32   24   13 o   30.076   15.029  -2.7064   12.934 -25.4921   18.385   19.622   18.199  ?   ?    36.971   18.369 0.000000 18.36933 
1 1 1   32   26    0 o   53.391   22.938   11.344   15.253  -9.2898   21.112   33.879   22.063   45.859   22.129   71.405   28.855 -25.54684 36.36331 
1 1 1   32   26    1 o   52.039   23.168   8.9188   16.829   6.2195   27.058   10.622   21.492   55.030   26.148   55.068   25.182 -0.3868103E-01 36.30227 
1 1 1   32   26    2 o   36.284   17.699 -14.9262   14.483 -32.8765   19.764   5.8903   21.284   36.886   18.454   52.041   24.239 -15.15460 30.46411 
1 1 1   32   26    3 o   84.614   23.752   38.127   14.479   29.010   20.766   46.753   20.199   65.988   27.469   83.867   28.808 -17.87914 39.80497 
1 1 1   32   26    4 o  127.580   16.876   70.965   14.536   68.079   20.671   73.787   20.444  106.214   27.796  113.987   26.429 -7.773148 38.35513 
1 1 1   32   26    5 o   92.684   22.469   45.176   14.263   36.595   20.293   53.553   20.052   69.421   27.806   87.579   28.685 -18.15807 39.95041 
1 1 1   32   26    6 o   61.389   23.197   23.271   13.486   36.124   19.382   11.211   18.775   67.662   27.149   49.885   23.072 17.77692 35.62894 
1 1 1   32   26    7 o   62.040   23.219   25.323   13.443   27.634   19.313   23.150   18.724   58.174   25.396   55.376   24.556 2.797882 35.32665 
1 1 1   32   26    8 o   52.725   22.037   18.942   13.443   31.233   18.510   5.2258   19.555   58.719   25.249   43.957   21.233 14.76284 32.99017 
1 1 1   32   26    9 o   39.496   19.269   0.2220   17.186   0.2220   17.186   0.0000   0.0000   39.496   19.269  ?   ?  0.000000 19.26875 
1 1 1   32   26   10 o   32.886   16.179  -6.4831   12.912   10.460   17.082 -29.0704   19.723   41.740   20.084   32.151   16.344 9.589256 25.89362 
1 1 1   32   26   11 o   78.240   25.129   55.046   15.431   56.098   27.112   54.542   18.768   49.720   24.245   63.524   26.251 -13.80429 35.73407 
1 1 1   32   26   12 o  ?   ?  -34.8651   12.748 -23.7321   18.000 -46.0672   18.056  ?   ?   ?   ?  0.000000      ? 
1 1 1   32   28    0 o   38.921   18.686  -8.9238   14.594 -20.8934   20.017   4.6573   21.322   40.243   19.864   51.043   23.932 -10.79983 31.10172 
1 1 1   32   28    1 o   57.630   24.378   17.435   16.766   41.263   27.557   3.4297   21.126   70.454   30.550   50.156   23.613 20.29829 38.61176 
1 1 1   32   28    2 o  104.160   24.141   57.224   17.064   61.220   28.148   54.903   21.456   82.564   32.856   89.485   29.690 -6.921150 44.28313 
1 1 1   32   28    3 o   36.426   17.666 -11.1225   13.867   10.195   20.156 -30.2826   19.109   52.054   24.016   36.097   18.072 15.95729 30.05563 
1 1 1   32   28    4 o   57.084   22.769   18.323   13.547  -5.8799   19.044   43.115   19.275   43.218   20.895   77.549   28.009 -34.33055 34.94450 
1 1 1   32   28    5 f   41.494   19.251   1.4352   13.221   15.290   18.958 -11.6834   18.447   52.567   23.887   39.880   19.563 12.68688 30.87572 
1 1 1   32   28    6 o   63.297   23.490   26.116   13.701   3.0686   19.933   46.758   18.864   45.328   21.782   77.248   27.733 -31.91953 35.26402 
1 1 1   32   28    7 o   60.198   23.282   25.391   13.796   32.472   19.687   18.558   19.338   59.627   25.839   50.944   23.511 8.683464 34.93420 
1 1 1   32   28    8 o   41.836   21.115  -9.5707   29.027   0.0000   0.0000  -9.5707   29.027  ?   ?    41.836   21.115 0.000000 21.11475 
1 1 1   32   28    9 o   56.456   22.375   25.476   13.004   34.192   18.006   15.973   18.802   56.454   24.587   45.273   21.592 11.18080 32.72215 
1 1 1   32   28   10 o   27.566   13.899 -19.9319   12.404 -36.4666   16.470   1.7378   18.854  ?   ?    37.997   18.848 0.000000 18.84827 
1 1 1   32   28   11 o   29.951   14.981 -10.1650   12.994 -17.5144   17.682  -1.5355   19.160   31.187   15.816   35.202   17.688 -4.014811 23.72756 
1 1 1   32   28   12 o  ?   ?  -27.3567   15.338  -1.8488   28.002 -38.2899   18.333  ?   ?   ?   ?  0.000000      ? 
1 1 1   32   30    0 o   48.709   21.768   7.8893   15.010  -0.1803   21.207   15.989   21.246   47.767   22.823   55.708   25.305 -7.940731 34.07663 
1 1 1   32   30    1 o   39.694   18.946  -5.8833   14.536 -33.7905   19.362   30.160   22.004   35.489   17.826   64.364   27.599 -28.87497 32.85504 
1 1 1   32   30    2 o   47.863   21.962   6.2485   16.541   14.463   27.064   1.3500   20.899   54.749   26.054   47.654   22.738 7.094826 34.58081 
1 1 1   32   30    3 o   37.648   18.117  -7.5144   13.909   31.340   19.662 -46.4387   19.679   65.099   26.883   32.765   16.623 32.33456 31.60707 
1 1 1   32   30    4 o   74.635   23.714   33.236   13.771   32.951   20.225   33.482   18.802   64.407   26.984   66.388   26.704 -1.981384 37.96374 
1 1 1   32   30    5 o   66.553   23.438   28.054   13.413   21.561   19.537   33.844   18.448   54.956   24.678   65.239   26.377 -10.28298 36.12118 
1 1 1   32   30    6 o   39.199   18.600  -0.4481   13.598   17.362   19.627 -16.8889   18.858   50.768   23.519   37.123   18.486 13.64570 29.91472 
1 1 1   32   30    7 o   55.509   23.683   24.931   16.059   17.437   19.315   41.712   28.902   48.962   22.899   55.385   26.512 -6.423256 35.03221 
1 1 1   32   30    8 o   41.296   20.113   4.1650   18.503   0.0000   0.0000   4.1650   18.503  ?   ?    41.296   20.113 0.000000 20.11335 
1 1 1   32   30    9 o   42.739   19.578   11.871   13.068 -23.1008   17.557   55.322   19.570   31.843   16.106   68.218   27.313 -36.37471 31.70795 
1 1 1   32   30   10 o   37.161   17.749   5.7486   12.801   8.9750   17.199   1.7410   19.168   39.140   19.134   37.143   18.519 1.997311 26.62822 
1 1 1   32   30   11 o   38.968   18.857   14.579   15.592   15.863   26.789   13.922   19.175   37.791   19.195   38.065   18.903 -0.2735214 26.94038 
1 1 1   32   32    0 o   54.259   23.064   16.039   15.127   6.0559   20.512   27.942   22.397   49.042   23.142   61.046   26.974 -12.00422 35.54139 
1 1 1   32   32    1 o   43.799   20.321   2.4382   14.734   18.705   20.770 -14.0397   20.905   55.471   25.127   41.515   20.455 13.95583 32.39993 
1 1 1   32   32    2 o   73.612   26.478   37.521   17.204   40.132   27.991   35.936   21.810   63.720   28.983   65.834   27.824 -2.113579 40.17680 
1 1 1   32   32    3 o   47.791   21.313   9.8094   14.308   22.475   20.177  -3.0030   20.294   56.411   25.222   43.989   21.342 12.42182 33.04001 
1 1 1   32   32    4 o   68.885   23.809   30.447   13.808   32.607   19.972   28.470   19.112   62.280   26.488   59.854   25.694 2.426830 36.90283 
1 1 1   32   32    5 o   55.942   23.775   22.810   16.068   17.137   19.157   36.273   29.512   50.846   23.442   56.249   26.889 -5.403465 35.67302 
1 1 1   32   32    6 o   41.508   19.879   2.4394   16.292  -9.1615   19.457   29.654   29.801   38.966   19.297   51.831   25.306 -12.86501 31.82355 
1 1 1   32   32    7 f   38.975   18.423   2.8403   13.101   1.3869   19.241   4.0965   17.889   41.027   20.095   41.586   20.143 -0.5594711 28.45224 
1 1 1   32   32    8 o   33.408   16.378  -6.1479   12.872   7.3420   17.284 -22.9482   19.288   41.221   19.924   33.462   16.921 7.759586 26.13992 
1 1 1   32   32    9 o   51.068   21.483   23.169   12.904   22.416   17.574   24.051   19.010   46.069   21.640   46.074   21.900 -0.5310059E-02 30.78812 
1 1 1   32   32   10 o   35.140   17.335   1.7548   15.169   5.0780   24.388  -0.3422   19.373   37.413   18.930   35.620   17.884 1.793144 26.04177 
1 1 1   32   32   11 o   25.851   13.122 -19.3396   12.361 -13.8398   16.059 -27.3339   19.361   29.577   15.007  ?   ?  0.000000 15.00681 
1 1 1   32   34    0 o   44.322   21.593  -3.8242   21.372  -3.8242   21.372   0.0000   0.0000   44.322   21.593  ?   ?  0.000000 21.59329 
1 1 1   32   34    1 o   34.608   17.077 -15.6923   14.752 -27.2600   20.389  -2.9844   21.371   36.800   18.458   44.421   21.631 -7.621532 28.43621 
1 1 1   32   34    2 o   51.720   23.138   15.639   17.007   14.517   26.793   16.396   22.010   51.386   24.829   51.993   24.358 -0.6077423 34.78202 
1 1 1   32   34    3 o   45.966   20.996   8.5185   14.888  -3.5369   21.596   19.437   20.553   43.401   21.264   52.800   24.321 -9.399258 32.30619 
1 1 1   32   34    4 o   56.292   24.094   24.049   16.715   35.338   20.228  -0.2532   29.680   61.819   26.483   45.997   22.951 15.82190 35.04432 
1 1 1   32   34    5 o   58.274   24.481   28.264   16.720   30.274   20.040   23.659   30.331   56.572   25.227   50.202   24.716 6.370159 35.31705 
1 1 1   32   34    6 o   34.567   17.104 -11.0887   15.172 -18.5658   25.725  -7.1009   18.787   38.936   19.677   38.316   18.972 0.6191750 27.33351 
1 1 1   32   34    7 o   50.748   21.445   19.815   12.953   16.339   18.508   23.153   18.134   45.697   21.688   49.360   22.775 -3.662140 31.44942 
1 1 1   32   34    8 o   55.390   22.308   26.725   13.140   44.545   17.934   6.0701   19.307   62.010   25.646   39.958   19.682 22.05205 32.32806 
1 1 1   32   34    9 o   38.604   18.762   8.4017   15.871 -21.2098   29.193   20.827   18.910  ?   ?    43.104   20.836 0.000000 20.83550 
1 1 1   32   34   10 o   29.416   14.738  -9.3661   12.815 -18.5597   18.296  -0.5116   17.955  ?   ?    34.120   17.142 0.000000 17.14160 
1 1 1   32   36    0 o   39.265   19.012  -5.1729   15.904   0.7318   21.745 -11.9643   23.321   44.866   21.841   41.831   20.786 3.034157 30.15129 
1 1 1   32   36    1 o   40.947   19.508  -0.1741   15.264 -33.4846   21.672   32.614   21.502   35.786   18.083   59.834   26.435 -24.04785 32.02782 
1 1 1   32   36    2 o   44.595   20.615   7.2366   14.958 -12.0225   20.596   28.737   21.761   39.770   19.723   56.553   25.658 -16.78291 32.36237 
1 1 1   32   36    3 o   53.266   24.340   23.276   20.035   35.839   27.212   8.4049   29.606   55.957   26.481   47.357   23.513 8.599815 35.41332 
1 1 1   32   36    4 o   48.250   22.293   15.308   17.459   15.505   20.935   14.859   31.640   48.071   22.887   47.761   23.810 0.3097649 33.02587 
1 1 1   32   36    5 o   35.630   17.320  -4.7196   13.541  -8.6509   19.807  -1.2697   18.555   38.396   19.092   40.060   19.645 -1.664387 27.39343 
1 1 1   32   36    6 o   38.652   18.643   1.7800   14.945   11.342   19.066 -13.4585   24.069   43.704   21.075   38.193   19.270 5.510445 28.55666 
1 1 1   32   36    7 o   38.429   18.191   5.1576   12.857   18.012   18.195  -7.6614   18.170   45.041   21.414   35.886   17.914 9.155281 27.91883 
1 1 1   32   36    8 o   71.446   25.098   48.296   15.373   93.220   28.554   29.961   18.242   63.429   29.013   48.717   22.606 14.71196 36.78037 
1 1 1   32   36    9 o   36.204   17.378   6.5241   12.611 -16.5445   17.835   29.586   17.833   31.244   15.849   45.684   21.564 -14.44013 26.76163 
1 1 1   32   36   10 o   40.973   19.048   19.318   13.047   9.0223   18.855   28.778   18.073   35.140   17.643   41.426   20.108 -6.286003 26.75082 
1 1 1   32   38    0 o   54.904   23.550   22.659   16.030   32.596   22.366   12.163   22.987   57.136   25.957   47.727   23.046 9.408836 34.71110 
1 1 1   32   38    1 o   41.171   19.643   1.8710   15.593  -5.0972   21.855   9.0954   22.253   41.647   20.593   46.288   22.431 -4.640812 30.45078 
1 1 1   32   38    2 o   40.317   19.621  -1.7254   17.511  -9.5217   21.363   14.239   30.569   39.851   19.817   47.785   23.753 -7.933563 30.93444 
1 1 1   32   38    3 o   46.029   21.329   12.324   16.158   22.551   26.130   5.9935   20.559   49.380   24.017   43.749   21.284 5.631741 32.09108 
1 1 1   32   38    4 o   46.248   20.900   13.773   14.273   19.112   20.872   9.0819   19.562   47.923   22.827   43.866   21.201 4.057571 31.15308 
1 1 1   32   38    5 o   42.635   20.149   9.6453   15.655   22.605   27.218   3.2380   19.138   46.532   23.004   40.642   19.934 5.890285 30.43924 
1 1 1   32   38    6 o  ?   ?  -38.3820   13.122 -32.3946   18.977 -43.8669   18.163  ?   ?   ?   ?  0.000000      ? 
1 1 1   32   38    7 o   27.059   13.760 -29.0449   14.071 -59.3171   28.057 -18.8724   16.264  ?   ?    31.133   15.724 0.000000 15.72410 
1 1 1   32   38    8 o   26.282   13.343 -23.9365   12.830 -36.4288   18.217 -11.6414   18.072  ?   ?    32.726   16.534 0.000000 16.53400 
1 1 1   32   38    9 o   36.471   17.528   9.7232   12.915   31.483   18.982  -9.0353   17.624   43.049   20.825   31.615   16.007 11.43419 26.26626 
1 1 1   32   40    0 o   38.266   18.850  -6.2485   17.717   1.8183   21.387 -23.8976   31.634   42.450   20.872   40.531   20.613 1.918587 29.33477 
1 1 1   32   40    1 o   36.936   18.346 -10.7692   18.090  -8.9600   22.286 -14.2634   30.972   39.634   19.794   41.508   21.037 -1.874092 28.88515 
1 1 1   32   40    2 o   45.888   21.639   13.663   17.877 -10.1268   35.028   22.043   20.788  ?   ?    49.347   23.290 0.000000 23.28955 
1 1 1   32   40    3 o   42.882   20.264   9.2153   15.827  -7.4732   27.328   17.638   19.414   40.661   20.518   46.841   22.225 -6.180492 30.24799 
1 1 1   32   40    4 o  ?   ?  -39.2321   13.722 -60.7088   20.780 -22.6271   18.272  ?   ?    32.973   16.655 0.000000 16.65472 
1 1 1   32   40    5 o   40.133   18.869   7.8797   13.412   18.095   19.353  -1.5602   18.603   44.744   21.491   37.773   18.735 6.970970 28.51044 
1 1 1   32   40    6 o   47.028   21.297   21.413   14.909   55.707   28.544   8.5461   17.484   50.468   24.668   39.740   19.398 10.72836 31.38128 
1 1 1   32   40    7 o   30.381   15.132  -8.7913   12.663 -37.8205   18.734   15.627   17.182  ?   ?    40.871   19.782 0.000000 19.78217 
1 1 1   32   40    8 o   39.517   18.577   14.361   12.993   12.757   18.092   16.070   18.671   37.590   18.614   38.514   19.042 -0.9238586 26.62861 
1 1 1   32   42    0 o   47.442   22.816   20.976   21.980   20.976   21.980   0.0000   0.0000   47.442   22.816  ?   ?  0.000000 22.81637 
1 1 1   32   42    1 f   40.028   19.221   4.3247   15.460   8.0347   22.540   1.0284   21.246   42.831   21.130   40.600   20.116 2.231640 29.17389 
1 1 1   32   42    2 o   32.055   16.151 -21.0367   16.580 -23.3688   20.674 -16.8342   27.753   34.379   17.399   38.500   19.554 -4.120392 26.17381 
1 1 1   32   42    3 o   42.246   19.781   10.707   14.482   24.742   21.317  -1.3216   19.734   47.379   22.703   38.566   19.156 8.812645 29.70503 
1 1 1   32   42    4 o   37.638   19.101 -11.1171   26.114 -11.1171   26.114   0.0000   0.0000   37.638   19.101  ?   ?  0.000000 19.10122 
1 1 1   32   42    5 o   32.766   16.302  -7.8613   14.533   23.088   25.871 -22.1308   17.567   42.937   21.425   31.229   15.830 11.70789 26.63824 
1 1 1   32   42    6 o   28.072   14.139 -16.2613   12.639 -38.0231   18.252   3.7881   17.519  ?   ?    36.635   18.172 0.000000 18.17171 
1 1 1   32   42    7 o   36.441   17.460   8.4226   12.603   14.464   18.623   3.3188   17.118   38.232   18.923   34.962   17.443 3.269600 25.73593 
1 1 1   32   44    0 f   29.366   14.631 -13.4607   11.878 -22.1268   27.688 -11.5061   13.150  ?   ?    31.339   15.578 0.000000 15.57849 
1 1 1   32   44    1 o   49.639   21.069   19.978   12.591   24.805   27.149   18.656   14.212   45.061   22.397   47.081   21.101 -2.019829 30.77145 
1 1 1   32   44    2 o   41.451   19.548   10.865   14.595   5.0459   20.466   16.886   20.820   39.693   19.681   43.381   21.174 -3.687168 28.90771 
1 1 1   32   44    3 o   54.346   23.555   33.476   16.368   46.098   30.064   28.158   19.514   47.273   23.508   47.496   22.461 -0.2230530 32.51376 
1 1 1   32   44    4 o   39.832   19.583   11.116   18.820   0.0000   0.0000   11.116   18.820  ?   ?    39.832   19.583 0.000000 19.58350 
1 1 1   32   44    5 o   39.455   18.619   11.817   13.278 -12.7900   18.552   37.663   19.013   32.595   16.495   49.215   22.918 -16.61946 28.23672 
1 1 1   32   44    6 o   35.589   17.214   6.9619   12.959   3.2235   18.190   10.814   18.466   34.962   17.522   37.008   18.407 -2.046227 25.41365 
1 1 1   32   46    0 o   30.844   15.255  -7.7269   12.021 -26.0390   27.157  -3.2643   13.406  ?   ?    33.619   16.529 0.000000 16.52870 
1 1 1   32   46    1 o   45.274   20.559   18.921   14.012   9.3610   28.453   21.983   16.100   39.804   20.172   45.737   21.228 -5.933308 29.28425 
1 1 1   32   46    2 o   36.388   17.430   4.8146   12.538   15.688   29.021   2.3192   13.903   40.234   20.389   35.657   17.382 4.577557 26.79227 
1 1 1   32   46    3 o   33.018   16.741 -14.1045   19.735   5.7220   27.239 -36.0098   28.632   37.905   19.263  ?   ?  0.000000 19.26333 
1 1 1   32   46    4 o   36.778   18.394   7.1454   19.567   0.0000   0.0000   7.1454   19.567  ?   ?    36.778   18.394 0.000000 18.39400 
1 1 1   32   46    5 o  ?   ?  -23.2358   15.032 -36.1415   25.116 -16.0330   18.764  ?   ?   ?   ?  0.000000      ? 
1 1 1   32   48    0 o   33.631   16.391   1.1866   12.349   3.4083   25.655   0.5166   14.088   36.879   18.737   34.070   16.788 2.808987 25.15751 
1 1 1   32   48    1 o   26.963   13.626 -17.9274   12.330 -43.4244   28.542 -12.0771   13.672  ?   ?    29.655   14.906 0.000000 14.90619 
1 1 1   32   48    2 o   30.215   15.163  -9.5223   13.843   0.0000   0.0000  -9.5223   13.843  ?   ?    30.215   15.163 0.000000 15.16259 
1 1 1   32   48    3 o   36.750   17.529   9.8167   12.400  -1.0459   26.792   12.778   13.988  ?   ?    37.961   18.243 0.000000 18.24296 
1 1 1   33    1    0 o   69.220   24.388   23.417   14.524   14.274   20.227   33.150   20.868   60.501   26.204   76.602   28.878 -16.10024 38.99456 
1 1 1   33    1    1 o   76.214   23.972   28.459   14.101   22.327   20.239   34.246   19.658   66.524   27.351   78.239   28.282 -11.71519 39.34358 
1 1 1   33    1    2 o   71.831   23.977   25.663   13.985   23.548   19.901   27.727   19.658   66.923   27.272   70.810   27.679 -3.886330 38.85721 
1 1 1   33    1    3 o   53.954   22.890   10.801   14.850   13.835   20.717   7.5944   21.297   58.664   25.931   55.107   25.148 3.556465 36.12299 
1 1 1   33    1    4 o   47.744   21.267   4.7784   14.201 -25.7506   20.051   35.507   20.116   39.638   19.622   75.361   28.364 -35.72241 34.49013 
1 1 1   33    1    5 o   69.446   24.018   26.456   14.052   21.685   20.199   30.929   19.560   61.276   26.363   69.284   27.446 -8.008018 38.05667 
1 1 1   33    1    6 o   38.405   18.294  -5.9845   13.411   11.791   18.956 -23.7996   18.977   52.703   23.925   37.719   18.744 14.98366 30.39295 
1 1 1   33    1    7 o   45.352   20.465   6.2800   13.626   10.702   19.433   2.0020   19.113   50.345   23.351   45.944   21.873 4.400970 31.99510 
1 1 1   33    1    8 o   60.270   23.344   24.154   13.884   29.894   20.332   19.138   19.006   59.308   25.970   52.910   23.995 6.397469 35.35818 
1 1 1   33    1    9 o   50.150   21.618   16.581   13.635   17.715   19.250   15.440   19.317   49.347   23.007   48.184   22.652 1.162949 32.28621 
1 1 1   33    1   10 o   39.032   18.611   3.4781   13.953   0.7893   20.290   5.8902   19.218   40.275   19.901   41.665   20.338 -1.389824 28.45502 
1 1 1   33    1   11 o   26.647   13.521 -26.4263   13.043 -28.7075   18.297 -24.0698   18.597  ?   ?    31.783   16.129 0.000000 16.12851 
1 1 1   33    1   12 o   30.106   15.218 -15.6129   15.471 -36.4195   26.191  -4.4616   19.174  ?   ?    34.296   17.291 0.000000 17.29119 
1 1 1   33    1   13 o  ?   ?  -31.1313   15.650 -23.4723   18.985 -47.3707   27.645  ?   ?   ?   ?  0.000000      ? 
1 1 1   33    1   14 o   31.013   15.415   5.6219   12.865   22.804   17.861 -12.9045   18.547   35.055   17.538  ?   ?  0.000000 17.53829 
1 1 1   33    3    0 o   49.051   21.527   4.6737   14.040   5.1140   19.192   4.1667   20.594   53.685   24.250   54.111   24.708 -0.4260635 34.62023 
1 1 1   33    3    1 o   51.263   22.144   7.1241   14.368 -13.9530   20.112   29.091   20.533   44.901   21.650   72.347   28.286 -27.44617 35.62044 
1 1 1   33    3    2 o   52.315   23.037   7.1631   16.198   28.317   26.566  -5.3559   20.437   69.417   30.048   48.513   22.956 20.90367 37.81350 
1 1 1   33    3    3 o   37.748   18.257 -13.6080   14.566 -27.5954   20.833  -0.2311   20.373   40.384   19.993   50.299   23.523 -9.914864 30.87140 
1 1 1   33    3    4 o   53.114   23.387   9.7772   16.690   33.151   29.426  -1.3078   20.264   68.368   30.522   48.873   23.044 19.49493 38.24416 
1 1 1   33    3    5 o   54.318   23.293   13.204   15.677   52.244   29.347  -2.3850   18.544   76.893   32.375   46.075   21.821 30.81839 39.04192 
1 1 1   33    3    6 o   76.946   28.131   41.393   19.529   0.0000   0.0000   41.393   19.529  ?   ?    76.946   28.131 0.000000 28.13076 
1 1 1   33    3    7 o   60.925   23.412   22.751   13.882   16.702   19.509   28.954   19.758   53.673   24.329   62.042   26.365 -8.369305 35.87509 
1 1 1   33    3    8 o   78.205   23.386   37.197   13.638   25.282   19.327   49.011   19.246   56.658   25.045   77.856   28.005 -21.19838 37.57065 
1 1 1   33    3    9 o   43.939   20.093   8.8230   13.684   6.6440   19.911   10.773   18.837   44.305   21.407   45.864   21.800 -1.558559 30.55312 
1 1 1   33    3   10 o   59.649   23.515   30.124   14.293   27.184   20.239   33.049   20.187   50.469   23.550   53.676   24.491 -3.206711 33.97676 
1 1 1   33    3   11 o  ?   ?  -30.7592   16.000 -32.5415   26.705 -29.7612   19.983  ?   ?   ?   ?  0.000000      ? 
1 1 1   33    3   12 o   37.082   17.857   8.1588   13.575   30.244   19.535 -12.4665   18.878   44.517   21.434   32.496   16.465 12.02056 27.02788 
1 1 1   33    3   13 o  ?   ?  -21.0900   13.280 -19.5748   18.790 -22.6021   18.771  ?   ?   ?   ?  0.000000      ? 
1 1 1   33    3   14 o   28.017   14.221  -6.7737   14.518  -7.2575   16.844  -5.3756   28.632  ?   ?   ?   ?  0.000000      ? 
1 1 1   33    5    0 o   57.066   23.174   13.259   14.306   12.185   19.686   14.461   20.825   58.477   25.581   60.509   26.395 -2.032284 36.75695 
1 1 1   33    5    1 o   44.836   20.484  -0.8035   14.179   0.5432   19.603  -2.2812   20.535   50.986   23.579   50.294   23.551 0.6919212 33.32595 
1 1 1   33    5    2 f   41.847   20.269 -15.1494   18.117   10.600   25.773 -40.2976   25.471   59.162   27.245   42.048   21.023 17.11337 34.41345 
1 1 1   33    5    3 o   43.312   20.418  -5.5213   15.896   25.112   26.174 -23.4207   20.008   65.903   29.138   40.660   20.029 25.24218 35.35843 
1 1 1   33    5    4 o   44.978   20.999  -1.8329   16.124  -0.9366   28.501  -2.2548   19.554   53.534   25.803   47.739   22.548 5.794666 34.26691 
1 1 1   33    5    5 o   78.283   27.688   39.172   18.737   0.0000   0.0000   39.172   18.737  ?   ?    78.283   27.688 0.000000 27.68778 
1 1 1   33    5    6 f   54.484   23.359   15.358   15.759   3.8449   28.417   20.471   18.939   51.748   25.140   58.222   25.286 -6.473267 35.65721 
1 1 1   33    5    7 o   49.355   22.163   10.939   15.760   9.2244   27.729   11.757   19.155   51.100   24.828   50.580   23.362 0.5206223 34.09127 
1 1 1   33    5    8 o   34.818   17.077 -11.4057   14.036 -14.3227   20.987  -9.0453   18.880   39.674   19.715   39.852   19.597 -0.1781387 27.79817 
1 1 1   33    5    9 o   40.715   19.101   4.0366   13.616 -10.0554   20.161   15.854   18.462   38.814   19.293   48.180   22.485 -9.366306 29.62816 
1 1 1   33    5   10 o   51.781   22.922   24.834   16.244   3.5483   27.781   35.892   20.024   42.137   21.189   55.254   24.882 -13.11751 32.68148 
1 1 1   33    5   11 o   32.406   16.117  -8.5927   14.144 -12.8685   19.693  -4.0365   20.328   34.457   17.390   36.653   18.391 -2.196732 25.31127 
1 1 1   33    5   12 o   32.550   16.143  -2.8471   13.809   31.052   20.007 -33.6861   19.083   44.267   21.406  ?   ?  0.000000 21.40621 
1 1 1   33    5   13 o   36.849   17.735   13.264   13.344   19.528   19.031   7.2056   18.715   37.308   18.577   34.269   17.253 3.038975 25.35297 
1 1 1   33    5   14 o  ?   ?  -18.1850   14.902 -29.6146   24.375 -11.3636   18.831  ?   ?   ?   ?  0.000000      ? 
1 1 1   33    7    0 o   63.048   24.008   18.887   14.515   1.6584   20.004   38.042   21.093   51.849   23.923   80.382   29.259 -28.53234 37.79395 
1 1 1   33    7    1 o   37.931   18.878 -32.5294   19.558   0.0000   0.0000 -32.5294   19.558  ?   ?    37.931   18.878 0.000000 18.87823 
1 1 1   33    7    2 o   38.740   18.744 -14.1677   15.391 -17.8927   25.259 -11.9679   19.411   47.516   23.220   44.367   21.363 3.149075 31.55219 
1 1 1   33    7    3 o   61.649   24.864   19.146   16.348   54.244   28.359   1.6795   20.006   84.057   33.127   50.614   23.549 33.44357 40.64470 
1 1 1   33    7    4 o   68.910   25.310   26.744   15.834   16.624   28.335   31.339   19.094   59.740   27.872   71.172   27.428 -11.43243 39.10470 
1 1 1   33    7    5 o   50.140   22.575   7.8658   16.476   29.937   28.980  -2.6756   20.028   63.597   29.141   46.683   22.270 16.91451 36.67591 
1 1 1   33    7    6 o   62.789   24.642   24.338   15.630  -9.4439   28.385   39.037   18.724   47.729   23.576   74.858   27.518 -27.12831 36.23664 
1 1 1   33    7    7 o   37.987   18.507  -9.7919   15.695 -16.3951   28.344  -6.8717   18.849   44.443   22.214   41.746   20.326 2.696827 30.10974 
1 1 1   33    7    8 o   45.138   21.158   6.9138   16.644   6.5171   33.387   7.0450   19.200   48.392   24.176   45.992   21.903 2.399303 32.62252 
1 1 1   33    7    9 o   36.137   18.048 -15.6266   18.548   0.0000   0.0000 -15.6266   18.548  ?   ?    36.137   18.048 0.000000 18.04847 
1 1 1   33    7   10 o   38.373   18.406   2.7718   14.089 -27.6043   20.149   31.833   19.708   33.232   16.856   52.722   24.111 -19.49044 29.41882 
1 1 1   33    7   11 o   35.990   17.489   1.8460   13.771   13.868   19.493 -10.1343   19.459   41.364   20.253   34.777   17.519 6.587681 26.77871 
1 1 1   33    7   12 f   31.566   15.701  -4.7899   13.446  -5.2381   18.817  -4.3222   19.220   33.683   17.000   33.994   17.160 -0.3112717 24.15500 
1 1 1   33    7   13 o   33.452   16.440   6.0128   13.219   6.9374   18.593   5.0675   18.799   33.990   17.123   33.591   16.958 0.3983841 24.09930 
1 1 1   33    7   14 f   38.566   18.595   28.549   14.833   20.072   17.721   48.385   27.108   33.816   16.994  ?   ?  0.000000 16.99418 
1 1 1   33    9    0 o   70.591   24.602   25.392   14.757   30.652   20.138   19.292   21.687   73.031   28.162   63.249   27.264 9.782005 39.19726 
1 1 1   33    9    1 o   51.821   22.865   7.0399   16.037   14.550   20.118  -6.0488   26.560   59.303   25.904   52.447   25.187 6.856709 36.13024 
1 1 1   33    9    2 o   30.797   15.535 -39.2674   15.590 -12.3073   25.137 -56.1205   19.874   48.899   23.730   32.771   16.634 16.12794 28.97997 
1 1 1   33    9    3 o  118.831   20.788   64.509   16.475   74.976   28.602   59.313   20.154  100.661   34.285  103.118   27.665 -2.456932 44.05473 
1 1 1   33    9    4 o   72.145   25.208   29.510   15.499   9.8585   26.388   39.859   19.150   55.961   26.359   79.548   28.007 -23.58788 38.45982 
1 1 1   33    9    5 o   30.342   15.293 -34.3652   14.936  -8.3317   26.606 -46.3447   18.048   48.307   23.654   31.606   16.023 16.70141 28.57028 
1 1 1   33    9    6 o   42.851   20.396  -2.4541   16.599   15.732   34.663  -7.8652   18.908   55.239   27.038   42.366   20.565 12.87298 33.97042 
1 1 1   33    9    7 o   50.244   23.262   12.353   19.156   0.0000   0.0000   12.353   19.156  ?   ?    50.244   23.262 0.000000 23.26190 
1 1 1   33    9    8 o   44.310   21.337   3.7232   19.371   0.0000   0.0000   3.7232   19.371  ?   ?    44.310   21.337 0.000000 21.33674 
1 1 1   33    9    9 o   43.517   20.452   8.4906   15.731   10.937   27.833   7.3426   19.069   45.741   22.725   43.655   21.057 2.086514 30.98126 
1 1 1   33    9   10 o   33.516   16.706 -11.7923   15.554  -0.2898   27.803 -17.0320   18.765   40.835   20.616   34.320   17.278 6.514732 26.89911 
1 1 1   33    9   11 o   31.946   16.051 -12.9787   15.756   10.132   26.786 -25.2057   19.483   39.923   20.165  ?   ?  0.000000 20.16523 
1 1 1   33    9   12 o   33.621   16.562   1.2516   13.680   7.2781   19.055  -5.1596   19.653   36.420   18.205   33.709   17.049 2.711079 24.94224 
1 1 1   33    9   13 o   52.325   22.712   42.979   15.262   37.971   26.753   45.396   18.582   37.938   19.261   46.264   21.891 -8.326023 29.15820 
1 1 1   33    9   14 o   34.191   16.676   15.912   12.847   8.5836   17.339   24.830   19.128   31.001   15.715   33.992   17.154 -2.990469 23.26436 
1 1 1   33   11    0 o  120.739   18.676   62.643   15.102   73.826   21.022   50.716   21.711  120.867   25.909   91.677   29.839 29.19080 39.51765 
1 1 1   33   11    1 o   68.895   24.495   24.632   14.684   26.422   20.768   22.842   20.764   67.884   27.784   64.964   27.286 2.920105 38.94177 
1 1 1   33   11    2 o   33.899   16.842 -26.0012   15.289 -19.9317   26.633 -28.9845   18.672   47.292   23.260   37.329   18.557 9.963123 29.75575 
1 1 1   33   11    3 o   81.448   25.079   35.975   15.527   37.712   26.210   35.035   19.272   71.834   30.439   75.076   27.859 -3.242523 41.26334 
1 1 1   33   11    4 o   48.023   21.741   5.1088   15.526   19.083   27.993  -1.0997   18.659   59.495   27.740   46.753   22.065 12.74191 35.44514 
1 1 1   33   11    5 o   48.293   21.155   8.3371   13.504 -35.0233   19.522   48.118   18.699   35.469   17.827   86.870   27.637 -51.40085 32.88728 
1 1 1   33   11    6 o   35.470   17.901 -37.9288   20.844 -59.7561   29.329 -15.6537   29.628  ?   ?    46.031   22.962 0.000000 22.96181 
1 1 1   33   11    7 o   50.072   22.518   13.305   16.334 -13.8927   30.730   24.015   19.284   45.141   22.645   56.853   25.080 -11.71225 33.79053 
1 1 1   33   11    8 o   36.152   17.459  -5.2035   13.205  -3.0630   18.788  -7.2935   18.565   41.100   20.073   39.516   19.432 1.584785 27.93776 
1 1 1   33   11    9 o   32.828   16.238 -11.7520   13.629 -27.7826   19.521   3.4929   19.037   33.624   17.005   41.783   20.361 -8.158928 26.52833 
1 1 1   33   11   10 o   38.623   18.757   3.0929   15.780 -61.3658   27.905   33.396   19.133  ?   ?    53.000   24.051 0.000000 24.05076 
1 1 1   33   11   11 o   38.838   18.882   8.7044   16.105   39.512   28.499  -5.7500   19.521   44.845   22.394   35.264   17.736 9.580090 28.56691 
1 1 1   33   11   12 o   29.153   14.817 -19.4164   16.147 -25.3171   27.513 -16.3163   19.943  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   11   13 o   30.957   15.601  -1.6617   15.508   8.2720   19.478 -18.8634   25.631   33.614   16.999  ?   ?  0.000000 16.99870 
1 1 1   33   11   14 o   30.703   15.428   8.3915   14.578   8.8653   17.839   7.4390   25.292   30.629   15.568  ?   ?  0.000000 15.56796 
1 1 1   33   13    0 o   47.307   21.385   2.8206   14.955   14.015   20.625  -9.5918   21.717   58.197   25.792   46.973   22.612 11.22362 34.30061 
1 1 1   33   13    1 o   32.919   16.376 -26.1071   14.640  -2.3967   20.719 -49.7469   20.688   49.011   23.167   34.719   17.554 14.29165 29.06678 
1 1 1   33   13    2 o   39.556   19.023 -10.6679   15.277 -56.9756   26.997   11.148   18.530   39.271   19.876   54.805   24.360 -15.53368 31.43965 
1 1 1   33   13    3 o   43.630   20.412  -2.1786   15.367   24.351   27.421 -14.3256   18.555   62.654   28.571   41.334   20.134 21.32047 34.95200 
1 1 1   33   13    4 o  110.753   19.693   56.682   14.542   48.442   22.340   62.741   19.157   81.451   30.041  105.785   26.282 -24.33377 39.91458 
1 1 1   33   13    5 o   31.618   15.894 -31.4442   15.560 -27.8342   29.598 -32.8230   18.292   44.380   22.258   34.467   17.314 9.912483 28.19904 
1 1 1   33   13    6 o   34.860   17.294 -19.6114   15.885 -52.9268   30.181  -6.8463   18.682  ?   ?    41.911   20.367 0.000000 20.36665 
1 1 1   33   13    7 o   43.909   20.172   5.8389   14.011 -15.7754   20.332   25.386   19.335   39.092   19.422   57.024   25.137 -17.93293 31.76591 
1 1 1   33   13    8 o   39.276   18.605   0.9345   13.496 -23.1223   19.189   24.479   18.984   35.246   17.709   53.828   24.235 -18.58186 30.01552 
1 1 1   33   13    9 o   42.084   19.550   8.1191   13.701   19.505   19.513  -2.9528   19.242   47.966   22.615   39.283   19.406 8.682568 29.79994 
1 1 1   33   13   10 o   64.700   23.806   36.289   14.018   58.517   20.192   15.610   19.476   68.420   27.620   43.471   21.046 24.94907 34.72445 
1 1 1   33   13   11 o   28.768   14.528 -18.2288   13.858 -24.5730   19.483 -11.7316   19.717  ?   ?    33.733   17.063 0.000000 17.06333 
1 1 1   33   13   12 o   47.997   21.733   32.665   15.522   56.293   25.312   18.425   19.651   45.747   22.534   38.519   19.130 7.228065 29.55874 
1 1 1   33   13   13 o   39.048   18.868   24.440   15.477  -1.8590   26.148   38.622   19.202  ?   ?    41.095   20.117 0.000000 20.11680 
1 1 1   33   13   14 o   26.706   13.560  -5.6018   13.276  -5.7423   18.354  -5.4477   19.226  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   15    0 o   66.499   24.848   23.961   15.383   25.089   21.392   22.753   22.137   65.216   27.559   63.401   27.437 1.815151 38.88794 
1 1 1   33   15    1 o  113.367   19.971   58.149   15.097   38.308   21.908   76.093   20.834   75.647   29.317  120.961   25.680 -45.31365 38.97345 
1 1 1   33   15    2 o   48.243   21.859   4.6155   15.733  -0.7620   29.734   6.7065   18.541   53.438   25.905   51.357   23.448 2.081528 34.94076 
1 1 1   33   15    3 o   41.798   20.216 -10.4008   17.867   0.0000   0.0000 -10.4008   17.867  ?   ?    41.798   20.216 0.000000 20.21640 
1 1 1   33   15    4 o   43.656   20.399  -0.2096   15.270 -16.9512   28.719   6.3896   18.031   46.779   23.214   49.339   22.746 -2.559978 32.50065 
1 1 1   33   15    5 o   46.030   20.775   6.1634   14.050  -1.6180   21.489   11.973   18.569   46.330   22.349   51.632   23.531 -5.302479 32.45320 
1 1 1   33   15    6 o   38.327   18.369  -4.9405   13.970   1.8769   20.489 -10.8636   19.098   45.889   22.059   40.385   19.829 5.503464 29.66177 
1 1 1   33   15    7 o   37.365   18.374 -10.8598   16.596 -28.1394   19.992   27.439   29.764   35.441   17.842   53.643   25.982 -18.20179 31.51832 
1 1 1   33   15    8 o   33.999   16.684  -9.4704   13.455 -26.9093   19.284   7.0711   18.782   34.162   17.238   44.085   21.174 -9.923248 27.30331 
1 1 1   33   15    9 o   47.043   20.935   15.914   13.726   13.200   19.585   18.535   19.243   44.494   21.432   46.847   22.198 -2.352627 30.85632 
1 1 1   33   15   10 o   35.005   17.121  -1.7088   13.817   6.0726   19.613  -9.3754   19.468   39.626   19.578   35.486   17.831 4.140594 26.48074 
1 1 1   33   15   11 o   38.333   18.315   9.6477   13.653   32.100   18.637 -16.3605   20.059   47.005   22.144   32.649   16.586 14.35541 27.66683 
1 1 1   33   15   12 o   26.839   13.620 -18.6532   13.260  -0.7620   17.071 -45.8748   21.057   32.982   16.588  ?   ?  0.000000 16.58831 
1 1 1   33   15   13 o   29.785   15.054  -2.8870   15.107  -5.1423   18.719   1.3259   25.584  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   17    0 o   71.093   26.687   30.604   17.784   43.449   31.113   24.370   21.674   71.557   31.697   63.529   27.320 8.027538 41.84581 
1 1 1   33   17    1 o   39.503   19.194 -13.3901   16.581   13.985   30.962 -24.3974   19.633   58.299   27.778   39.050   19.346 19.24968 33.85100 
1 1 1   33   17    2 o   73.905   28.124   36.616   19.912   0.0000   0.0000   36.616   19.912  ?   ?    73.905   28.124 0.000000 28.12444 
1 1 1   33   17    3 o   40.529   19.792 -13.5901   18.254   0.0000   0.0000 -13.5901   18.254  ?   ?    40.529   19.792 0.000000 19.79169 
1 1 1   33   17    4 o   34.899   16.945 -11.1772   12.859 -30.4694   18.953   5.2775   17.504   35.686   17.885   47.805   22.169 -12.11897 28.48420 
1 1 1   33   17    5 o   35.670   17.315  -9.9634   13.406 -10.5068   20.039  -9.5232   18.036   41.705   20.444   40.504   19.756 1.201038 28.43003 
1 1 1   33   17    6 o   38.777   18.453  -2.6011   13.574   15.973   19.459 -20.2053   18.944   51.635   23.740   37.038   18.457 14.59741 30.07115 
1 1 1   33   17    7 o   38.223   18.267  -1.8967   13.599 -29.2101   19.398   24.505   19.071   34.378   17.340   54.716   24.489 -20.33825 30.00619 
1 1 1   33   17    8 o   55.063   22.371   22.414   13.340   29.081   19.420   16.457   18.356   54.532   24.535   47.760   22.333 6.771870 33.17758 
1 1 1   33   17    9 o   32.506   16.085  -9.8506   13.424 -10.6012   19.326  -9.1508   18.661   36.291   18.170   36.323   18.136 -0.3116226E-01 25.67190 
1 1 1   33   17   10 o   29.297   14.761 -18.2181   13.838 -29.7509   19.592  -6.7354   19.549  ?   ?    35.669   17.916 0.000000 17.91561 
1 1 1   33   17   11 o   30.389   15.215  -9.3647   13.555  -0.7308   18.625 -19.0890   19.766   34.921   17.533  ?   ?  0.000000 17.53325 
1 1 1   33   17   12 o   28.058   14.213 -14.3654   14.006 -14.2484   16.286 -14.6976   27.443   29.359   14.918  ?   ?  0.000000 14.91769 
1 1 1   33   17   13 o   33.384   16.347   11.104   12.709   24.489   17.433  -4.0796   18.568   36.099   17.943  ?   ?  0.000000 17.94332 
1 1 1   33   19    0 o   46.913   21.898   1.2694   17.521 -13.3219   31.475   7.8209   21.091   49.863   24.666   52.360   24.300 -2.497089 34.62543 
1 1 1   33   19    1 o   53.224   23.537   12.003   17.085 -31.3561   31.253   30.483   20.404   45.702   22.914   67.224   27.530 -21.52187 35.81785 
1 1 1   33   19    2 f   42.672   20.779 -11.1816   19.721   0.0000   0.0000 -11.1816   19.721  ?   ?    42.672   20.779 0.000000 20.77933 
1 1 1   33   19    3 o   37.250   18.202 -13.5835   15.515   27.756   26.451 -35.2667   19.157   60.842   27.864   34.836   17.527 26.00652 32.91850 
1 1 1   33   19    4 o   32.188   15.941 -18.6615   13.291 -14.3193   19.058 -22.7734   18.546   39.960   19.658   36.939   18.384 3.021454 26.91516 
1 1 1   33   19    5 o   42.359   19.619   2.6967   13.646   2.6625   20.057   2.7262   18.621   46.003   22.038   45.365   21.595 0.6380997 30.85488 
1 1 1   33   19    6 o   49.247   21.328   13.367   13.398   34.147   19.837  -4.0633   18.167   62.458   26.474   41.149   20.017 21.30850 33.18950 
1 1 1   33   19    7 o   38.178   18.242  -1.0352   13.548  -9.8974   19.368   7.4563   18.959   38.757   19.204   44.744   21.433 -5.987076 28.77742 
1 1 1   33   19    8 o   69.022   23.825   35.613   13.824   42.328   20.314   29.820   18.868   61.101   26.362   54.292   24.324 6.809311 35.86963 
1 1 1   33   19    9 o   34.951   17.126  -3.5700   14.018   18.239   20.319 -23.3786   19.365   44.765   21.628   33.053   16.740 11.71208 27.34958 
1 1 1   33   19   10 o   36.446   18.254  -1.2455   19.588  -1.2455   19.588   0.0000   0.0000   36.446   18.254  ?   ?  0.000000 18.25362 
1 1 1   33   19   11 o   32.019   16.007  -4.8623   14.750  -2.9181   17.311 -10.0146   28.181   33.518   16.838  ?   ?  0.000000 16.83837 
1 1 1   33   19   12 o   43.561   19.646   23.711   12.538   2.3288   16.860   50.168   18.755   32.640   16.425   48.694   22.704 -16.05446 28.02266 
1 1 1   33   19   13 o   26.507   13.433  -8.7657   12.604 -18.4233   16.821   3.5997   19.034  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   21    0 o   64.006   25.869   26.014   17.736   57.024   30.637   10.381   21.752   75.400   32.453   52.921   24.600 22.47857 40.72351 
1 1 1   33   21    1 o   40.992   19.377  -3.4128   14.495 -14.1807   20.473   7.4115   20.526   41.998   20.603   50.774   23.700 -8.776031 31.40371 
1 1 1   33   21    2 o   51.219   22.688   11.492   15.941   31.576   26.601   0.2378   19.912   62.458   28.349   46.675   22.249 15.78330 36.03738 
1 1 1   33   21    3 o   35.281   17.365 -15.9916   14.932 -41.1415   24.844  -1.7701   18.682   38.238   19.325   44.457   21.290 -6.218769 28.75285 
1 1 1   33   21    4 o   51.547   21.997   14.115   13.857   12.119   20.384   15.829   18.893   50.802   23.681   52.743   23.921 -1.941231 33.66042 
1 1 1   33   21    5 o   45.654   20.574   8.2738   13.720   13.031   20.433   4.3686   18.513   49.910   23.410   45.324   21.563 4.585983 31.82769 
1 1 1   33   21    6 o   32.223   15.948 -14.8982   13.220   3.3259   19.714 -29.7914   17.821   44.054   21.289   32.890   16.593 11.16402 26.99201 
1 1 1   33   21    7 o   39.188   18.583   1.8610   13.531  -4.9031   19.699   7.9028   18.618   39.814   19.662   44.047   21.136 -4.232773 28.86697 
1 1 1   33   21    8 o   62.442   23.419   31.361   13.690   20.655   18.867   43.266   19.895   47.835   22.455   60.757   26.152 -12.92239 34.46918 
1 1 1   33   21    9 o   27.680   14.024 -25.4224   13.681 -33.1347   18.527 -16.1752   20.288  ?   ?    34.488   17.433 0.000000 17.43254 
1 1 1   33   21   10 o   46.935   21.261   24.300   14.873   29.646   17.267   8.9317   29.278   47.682   22.079  ?   ?  0.000000 22.07901 
1 1 1   33   21   11 o   38.279   18.114   12.725   12.728   2.2327   17.591   24.253   18.440   34.286   17.190   40.890   19.951 -6.604534 26.33545 
1 1 1   33   21   12 o   38.503   18.166   18.021   12.631   23.544   17.695   12.284   18.036   37.570   18.568   34.333   17.240 3.236610 25.33790 
1 1 1   33   21   13 o  ?   ?  -16.7444   12.643 -36.8680   17.233   6.7124   18.606  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   23    0 f   54.410   22.941   15.774   14.769   25.924   20.047   3.7247   21.842   61.255   26.306   48.899   23.308 12.35662 35.14649 
1 1 1   33   23    1 o   48.982   21.735   9.6222   14.692   15.243   20.144   3.2336   21.475   53.862   24.533   48.307   23.049 5.554863 33.66175 
1 1 1   33   23    2 o   76.557   25.693   37.623   16.060  -9.5024   26.810   64.000   20.058   46.124   22.807   99.096   28.004 -52.97127 36.11679 
1 1 1   33   23    3 o   38.387   18.605  -8.0860   15.318 -36.4829   24.927   9.1444   19.417   38.591   19.488   49.096   22.961 -10.50434 30.11658 
1 1 1   33   23    4 f   60.953   23.786   24.719   14.499   21.281   20.965   27.871   20.073   54.510   24.905   59.018   25.825 -4.507851 35.87732 
1 1 1   33   23    5 o   70.246   23.607   32.124   13.558   8.8189   19.632   53.378   18.748   46.808   22.250   83.055   27.760 -36.24733 35.57680 
1 1 1   33   23    6 o   34.861   16.988  -7.3221   13.249  -7.0067   19.874  -7.5744   17.774   39.827   19.683   38.416   18.915 1.411572 27.29829 
1 1 1   33   23    7 o   51.871   21.850   20.059   13.377   17.546   19.093   22.483   18.748   47.449   22.371   50.136   23.142 -2.687019 32.18716 
1 1 1   33   23    8 o   40.143   18.904   7.1160   13.559   27.624   18.608 -16.0958   19.797   50.488   23.214   35.023   17.647 15.46543 29.15957 
1 1 1   33   23    9 o   51.553   22.861   30.236   16.226   24.004   19.399   44.751   29.606   45.270   21.683   46.667   23.227 -1.396980 31.77495 
1 1 1   33   23   10 o   33.709   16.766  -1.8375   15.321   6.1707   24.570  -6.9321   19.598   37.214   18.848   33.921   17.145 3.292725 25.47961 
1 1 1   33   23   11 o   27.206   13.723 -13.0613   12.162 -25.9393   17.221  -0.2459   17.179  ?   ?    32.925   16.570 0.000000 16.57021 
1 1 1   33   23   12 o   30.735   15.304   2.7443   12.917   16.153   17.821 -12.0951   18.748   34.363   17.239  ?   ?  0.000000 17.23898 
1 1 1   33   25    0 o   40.856   19.344  -1.9137   14.552  -8.0162   19.479   5.7929   21.890   42.145   20.551   48.740   23.260 -6.595016 31.03812 
1 1 1   33   25    1 o   44.004   20.416   3.4018   14.871   4.4650   20.260   2.1598   21.897   47.339   22.532   47.069   22.670 0.2697830 31.96286 
1 1 1   33   25    2 o   71.619   25.816   35.551   16.364   54.195   25.697   22.836   21.222   72.820   30.455   56.243   25.445 16.57656 39.68594 
1 1 1   33   25    3 o   42.578   20.023   2.1248   15.115 -16.6195   24.605   13.484   19.155   41.798   20.862   50.253   23.264 -8.455681 31.24854 
1 1 1   33   25    4 o   51.236   21.984   15.906   13.979   8.9447   19.973   22.590   19.572   47.114   22.410   54.304   24.513 -7.190105 33.21304 
1 1 1   33   25    5 o   31.286   15.606 -18.7265   13.681 -52.2607   19.664   12.735   19.046  ?   ?    47.495   22.378 0.000000 22.37835 
1 1 1   33   25    6 o  118.818   17.946   71.085   14.298   82.971   21.169   61.112   19.390  101.657   28.784   83.419   28.230 18.23750 40.31696 
1 1 1   33   25    7 o   43.794   20.029   11.666   13.601   13.243   19.549   10.186   18.934   44.362   21.379   43.135   20.850 1.227135 29.86314 
1 1 1   33   25    8 o   36.110   17.856  -3.0024   16.431  -1.4360   19.160  -7.3561   31.944   37.643   18.727  ?   ?  0.000000 18.72691 
1 1 1   33   25    9 o   27.786   14.129 -26.8997   14.814 -15.1250   17.566 -55.9024   27.569   32.188   16.266  ?   ?  0.000000 16.26607 
1 1 1   33   25   10 o   35.346   17.323   5.5430   14.362  -0.0729   16.771   20.990   27.814   34.029   17.020   38.512   19.561 -4.482952 25.92936 
1 1 1   33   25   11 o   33.461   16.320   6.3000   12.305  -0.9650   17.458   13.472   17.345   32.071   16.208   35.675   17.759 -3.604137 24.04350 
1 1 1   33   25   12 o   34.469   17.094   17.988   15.476   62.732   28.532  -0.6618   18.420  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   27    0 o   58.936   23.630   22.715   14.672   8.5380   19.992   39.260   21.598   48.250   22.793   66.465   27.868 -18.21533 36.00154 
1 1 1   33   27    1 o   37.099   18.035  -8.5019   14.685  -2.3093   20.432 -15.1187   21.120   43.754   21.271   40.140   19.917 3.614399 29.14001 
1 1 1   33   27    2 o   43.238   21.080  -2.7151   20.473   0.0000   0.0000  -2.7151   20.473  ?   ?    43.238   21.080 0.000000 21.08047 
1 1 1   33   27    3 o   41.084   19.523   0.7844   15.091   18.039   24.812  -9.3445   19.011   50.953   24.436   39.630   19.522 11.32347 31.27695 
1 1 1   33   27    4 o   26.898   13.652 -33.9548   13.360 -55.0495   19.426 -15.0225   18.404  ?   ?    36.890   18.352 0.000000 18.35248 
1 1 1   33   27    5 o   40.378   18.974   3.8638   13.531  -2.5888   20.018   9.2927   18.361   40.730   20.058   44.685   21.319 -3.954643 29.27135 
1 1 1   33   27    6 o   42.927   19.797   9.6374   13.677  -8.5965   19.985   25.700   18.757   37.900   18.899   51.388   23.509 -13.48757 30.16316 
1 1 1   33   27    7 o   33.989   16.947 -10.7849   16.057 -20.9611   19.120   13.566   29.577   33.498   16.932   43.062   21.681 -9.563602 27.50878 
1 1 1   33   27    8 o   34.574   17.124  -3.9613   15.343   11.668   24.406 -14.1758   19.730   40.646   20.360   34.099   17.232 6.546581 26.67352 
1 1 1   33   27    9 o   27.116   13.708 -19.0238   12.582 -12.2087   16.486 -28.5301   19.471   31.663   15.972  ?   ?  0.000000 15.97229 
1 1 1   33   27   10 o   27.502   13.899 -14.9336   12.856 -11.4134   17.574 -18.9855   18.855   31.007   15.729  ?   ?  0.000000 15.72906 
1 1 1   33   27   11 o   34.800   17.226   13.075   15.444   31.229   26.891   4.1388   18.866  ?   ?    32.403   16.422 0.000000 16.42238 
1 1 1   33   29    0 o   44.209   20.538   6.0372   15.122   3.4240   21.055   8.8216   21.734   45.285   21.914   47.530   22.815 -2.244984 31.63419 
1 1 1   33   29    1 o   42.560   19.944   3.8282   14.776   9.3581   20.040  -2.7591   21.872   47.173   22.441   43.278   21.244 3.894955 30.90133 
1 1 1   33   29    2 o   32.926   16.350 -16.6349   14.333 -30.3925   20.773  -4.1327   19.802   35.291   17.817   41.462   20.325 -6.171928 27.02858 
1 1 1   33   29    3 o   40.955   19.556   1.6677   15.522  -5.1659   26.927   5.0682   18.995   43.339   21.661   43.926   21.146 -0.5873299 30.27095 
1 1 1   33   29    4 o   35.566   17.315  -5.8656   13.674 -16.6056   19.581   4.3562   19.103   36.589   18.314   42.813   20.756 -6.224617 27.68097 
1 1 1   33   29    5 o   32.852   16.275 -11.8687   13.885   1.6203   19.872 -24.7347   19.408   41.032   20.163   33.947   17.149 7.085258 26.46988 
1 1 1   33   29    6 o   48.327   22.041   20.755   16.326   3.3655   19.449   62.244   30.041   40.243   19.809   55.635   26.736 -15.39137 33.27516 
1 1 1   33   29    7 o   31.235   15.540 -10.6951   13.198 -29.2671   19.183   5.9965   18.186  ?   ?    39.422   19.355 0.000000 19.35496 
1 1 1   33   29    8 o   32.543   16.211  -6.8015   14.548 -11.2908   18.475   0.5259   23.603   33.416   16.863   37.251   18.827 -3.835289 25.27493 
1 1 1   33   29    9 o   42.735   19.507   18.364   12.824   20.176   16.875   15.887   19.729   41.082   19.814   38.730   19.223 2.352062 27.60691 
1 1 1   33   29   10 o   40.096   19.233   22.196   15.383   4.2649   26.048   31.799   19.063  ?   ?    41.189   20.138 0.000000 20.13753 
1 1 1   33   29   11 o   31.216   15.706   4.5642   15.382 -19.6281   18.692   55.317   27.073  ?   ?    37.549   19.094 0.000000 19.09402 
1 1 1   33   31    0 o   34.873   17.234 -12.8695   15.227 -15.9090   20.984  -9.4883   22.131   38.372   19.170   40.639   20.203 -2.266594 27.85031 
1 1 1   33   31    1 o   33.660   16.691 -14.7064   14.738 -14.9816   19.893 -14.3716   21.942   37.763   18.834   39.136   19.559 -1.373634 27.15269 
1 1 1   33   31    2 o   34.713   17.078 -10.1416   14.393 -16.7940   19.460  -2.1078   21.385   36.712   18.358   41.782   20.606 -5.069927 27.59799 
1 1 1   33   31    3 o   37.229   18.259  -5.9265   16.049 -14.0732   26.715  -1.3261   20.075   40.357   20.355   40.918   20.138 -0.5604973 28.63306 
1 1 1   33   31    4 o   38.716   19.194  -5.2510   19.448   7.7902   26.117 -21.4829   29.137   43.847   21.822   39.172   19.908 4.675522 29.53869 
1 1 1   33   31    5 o   37.342   18.371  -2.7050   16.649   16.413   20.197 -43.2341   29.407   45.113   21.739  ?   ?  0.000000 21.73875 
1 1 1   33   31    6 o   38.207   18.274   4.7754   13.671   7.4401   20.290   2.5600   18.501   40.535   20.006   38.710   19.105 1.824688 27.66304 
1 1 1   33   31    7 o   29.593   14.871 -15.3783   13.550 -27.5773   19.622  -4.2597   18.733  ?   ?    35.605   17.835 0.000000 17.83544 
1 1 1   33   31    8 f   39.227   18.528   11.868   13.205   35.206   17.927 -15.8153   19.525   48.802   22.562   32.256   16.384 16.54563 27.88372 
1 1 1   33   31    9 o   32.821   16.160   1.8396   12.973   17.728   17.560 -17.2545   19.250   38.530   18.938  ?   ?  0.000000 18.93770 
1 1 1   33   31   10 o   38.752   18.224   18.249   12.520   20.122   17.147   16.110   18.325   36.753   18.185   35.257   17.658 1.496311 25.34773 
1 1 1   33   33    0 o   32.051   16.217 -30.4713   17.891 -10.0829   29.573 -42.2414   22.470   42.022   21.221  ?   ?  0.000000 21.22101 
1 1 1   33   33    1 o   40.349   19.289   2.8498   15.188  -1.0045   20.922   7.1439   22.084   41.215   20.337   44.035   21.560 -2.820110 29.63821 
1 1 1   33   33    2 o   58.736   23.847   29.123   15.145   23.784   20.699   35.274   22.218   50.112   23.523   54.935   25.298 -4.822613 34.54426 
1 1 1   33   33    3 o   45.762   21.608   15.102   17.935   23.481   21.755  -2.6732   31.688   48.618   23.198   42.194   21.374 6.423912 31.54353 
1 1 1   33   33    4 o  ?   ?  -36.5986   20.142 -29.2878   26.845 -46.0146   30.466  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   33    5 o   55.041   22.747   27.932   14.094   0.0822   20.123   54.750   19.747   38.496   19.158   66.373   27.121 -27.87616 33.20477 
1 1 1   33   33    6 o   43.105   19.853   15.032   13.690  -6.3362   19.463   35.956   19.260   35.605   17.883   51.128   23.548 -15.52283 29.56870 
1 1 1   33   33    7 o   36.986   17.808   6.7604   13.484   24.539   19.115 -10.8507   19.025   43.488   21.003   33.353   16.861 10.13522 26.93356 
1 1 1   33   33    8 o   35.036   17.021   5.7162   13.023   0.7520   18.509   10.583   18.326   34.436   17.313   36.971   18.380 -2.535160 25.25030 
1 1 1   33   33    9 o   33.300   16.578   4.8318   15.125   50.488   27.403 -15.1694   18.138   40.310   20.365  ?   ?  0.000000 20.36497 
1 1 1   33   33   10 o   29.317   14.688  -0.5623   12.730  -5.2200   17.627   4.5147   18.404  ?   ?    31.390   15.941 0.000000 15.94053 
1 1 1   33   35    0 o   43.373   20.770   9.9140   17.781   26.493   21.622 -24.7220   31.252   50.023   23.652  ?   ?  0.000000 23.65214 
1 1 1   33   35    1 o   41.263   19.645   6.7260   15.424   43.235   21.474 -32.1819   22.168   58.612   26.127   34.022   17.298 24.59032 31.33419 
1 1 1   33   35    2 o   55.796   24.225   32.119   17.371   22.516   21.121   52.195   30.539   47.518   22.724   52.789   25.739 -5.271770 34.33493 
1 1 1   33   35    3 o   39.490   19.047   4.9138   15.597 -23.3462   21.762   34.761   22.365   34.600   17.546   51.056   24.115 -16.45609 29.82278 
1 1 1   33   35    4 o   31.680   15.969 -18.5877   16.304 -33.4244   27.456 -10.5052   20.265  ?   ?    35.810   18.019 0.000000 18.01851 
1 1 1   33   35    5 o   38.688   18.527   7.4110   14.148   14.085   20.641   1.4963   19.431   41.309   20.348   37.584   18.724 3.724533 27.65163 
1 1 1   33   35    6 o   33.113   16.374  -3.2329   13.817 -11.9611   19.447   5.6657   19.636   33.470   16.932   37.562   18.730 -4.091930 25.24892 
1 1 1   33   35    7 o   37.106   17.750   9.1744   12.909 -12.1068   18.146   30.977   18.367   31.891   16.157   44.940   21.408 -13.04885 26.82041 
1 1 1   33   35    8 o   30.472   15.366  -7.4055   15.177  -7.5561   27.686  -7.3408   18.147  ?   ?    31.590   16.020 0.000000 16.02030 
1 1 1   33   35    9 o   28.605   14.407  -5.8123   13.121   9.3727   18.919 -19.8861   18.214   33.241   16.805  ?   ?  0.000000 16.80510 
1 1 1   33   37    0 o   42.734   20.656   11.716   18.579   39.114   21.824 -60.4390   35.416   53.586   24.816  ?   ?  0.000000 24.81599 
1 1 1   33   37    1 o   39.872   19.890   1.9595   22.233  -3.6337   32.529   6.8634   30.459  ?   ?    41.782   21.143 0.000000 21.14258 
1 1 1   33   37    2 o   39.894   19.140   7.2654   15.253   22.223   21.995  -6.5920   21.171   45.282   22.026   37.171   18.667 8.111378 28.87237 
1 1 1   33   37    3 o   42.146   19.733   12.751   14.407   25.510   21.536   2.4144   19.383   45.703   22.128   38.374   19.048 7.328735 29.19678 
1 1 1   33   37    4 o   33.343   16.666  -8.3088   15.955  -9.8146   27.628  -7.5554   19.543  ?   ?    35.178   17.700 0.000000 17.69996 
1 1 1   33   37    5 o   33.000   16.499  -6.6109   15.682   40.371   27.125 -30.1990   19.220   44.596   22.202  ?   ?  0.000000 22.20152 
1 1 1   33   37    6 o   27.135   13.728 -18.5169   12.788 -26.3279   19.572 -12.6983   16.892  ?   ?    31.300   15.828 0.000000 15.82850 
1 1 1   33   37    7 o   30.880   15.460  -4.7577   13.990  -9.1366   25.980  -2.9693   16.602  ?   ?    32.347   16.281 0.000000 16.28065 
1 1 1   33   37    8 o  ?   ?  -35.2320   12.565 -21.9911   17.476 -49.3983   18.077  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   37    9 o   31.654   15.713   7.9435   13.194   4.8412   19.280   10.676   18.095  ?   ?    32.016   16.211 0.000000 16.21090 
1 1 1   33   39    0 o  ?   ?  -29.2174   17.978 -14.1930   20.756 -74.3415   35.971   34.854   17.619  ?   ?  0.000000 17.61927 
1 1 1   33   39    1 o   34.629   17.360  -8.6408   17.906 -16.7026   22.415   5.5756   29.766   34.903   17.711   39.951   20.286 -5.047749 26.93006 
1 1 1   33   39    2 o   51.320   22.363   27.825   14.914   45.419   22.779   14.624   19.731   51.487   24.324   41.415   20.298 10.07293 31.68097 
1 1 1   33   39    3 o   44.605   20.371   18.799   14.009   0.6983   20.960   33.411   18.833   37.004   18.582   48.912   22.788 -11.90734 29.40363 
1 1 1   33   39    4 o   54.691   22.922   33.939   14.604   11.418   21.928   51.889   19.576   38.717   19.380   57.015   25.205 -18.29819 31.79371 
1 1 1   33   39    5 o   31.975   16.208 -12.4464   18.427 -63.3171   30.296   17.424   23.215  ?   ?    38.754   19.473 0.000000 19.47259 
1 1 1   33   39    6 o   29.828   15.017  -9.1160   14.182  -4.6893   28.372 -10.5905   16.375  ?   ?    30.585   15.479 0.000000 15.47942 
1 1 1   33   39    7 o   28.036   14.097  -8.1530   12.287   7.9835   17.275 -24.6736   17.480   33.858   16.984  ?   ?  0.000000 16.98398 
1 1 1   33   39    8 o  ?   ?  -14.0437   13.286  -8.1224   18.614 -20.1932   18.969  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   41    0 o   41.638   19.704   15.032   15.066   18.988   22.183   11.646   20.525   41.436   20.535   39.589   19.642 1.847580 28.41678 
1 1 1   33   41    1 o   36.830   18.264   3.6665   17.656   14.053   22.152 -14.4244   29.235   39.882   19.888  ?   ?  0.000000 19.88827 
1 1 1   33   41    2 o   42.384   19.851   17.397   14.601   19.598   21.464   15.502   19.920   40.927   20.267   40.020   19.765 0.9068909 28.30934 
1 1 1   33   41    3 o   31.162   15.604  -8.3093   14.276 -17.7707   20.346   0.8677   20.037  ?   ?    35.577   17.903 0.000000 17.90342 
1 1 1   33   41    4 o   27.820   14.104 -18.9279   13.999 -43.5810   21.110   0.4230   18.703  ?   ?    34.460   17.336 0.000000 17.33559 
1 1 1   33   41    5 o   34.620   17.341   5.7811   17.694   0.0000   0.0000   5.7811   17.694  ?   ?    34.620   17.341 0.000000 17.34064 
1 1 1   33   41    6 o   31.487   15.624   1.6892   13.000   2.4251   18.776   1.0115   18.018   32.688   16.547   32.303   16.337 0.3850479 23.25297 
1 1 1   33   41    7 o   27.473   13.887  -7.8650   12.867   13.106   18.279 -28.4629   18.115   33.286   16.794  ?   ?  0.000000 16.79402 
1 1 1   33   43    0 o   33.085   16.413  -1.6914   14.310  -5.7488   20.277   2.3344   20.198   34.063   17.238   35.710   17.971 -1.647266 24.90178 
1 1 1   33   43    1 o   35.407   17.605   3.9682   16.837   3.1419   20.413   5.7268   29.780   35.694   17.976  ?   ?  0.000000 17.97645 
1 1 1   33   43    2 o   30.757   15.448  -8.2825   14.537   3.5619   20.255 -20.8647   20.876   35.337   17.810  ?   ?  0.000000 17.81026 
1 1 1   33   43    3 o  ?   ?  -26.0725   16.732 -87.0732   28.361   6.4971   20.723  ?   ?    35.323   17.829 0.000000 17.82915 
1 1 1   33   43    4 o   33.121   16.592   2.6030   16.217 -32.5463   29.127   18.394   19.523  ?   ?    37.150   18.549 0.000000 18.54905 
1 1 1   33   43    5 f   30.968   15.561  -0.7812   14.833 -16.1902   26.250   6.4467   17.978  ?   ?    33.164   16.723 0.000000 16.72327 
1 1 1   33   45    0 o   26.719   13.505 -15.1467   12.158 -59.9024   29.393  -5.9094   13.354  ?   ?    30.129   15.087 0.000000 15.08702 
1 1 1   33   45    1 o   38.995   18.276   15.262   12.413   6.2634   29.666   17.172   13.666  ?   ?    39.334   18.659 0.000000 18.65874 
1 1 1   33   45    2 o  ?   ?  -47.5989   19.186 -77.7561   26.084 -12.0537   28.319  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   45    3 f  ?   ?  -22.8512   19.344   1.3127   26.461 -50.5854   28.349  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   45    4 o   28.317   14.316  -7.7966   13.729  -6.6071   19.169  -9.0494   19.672  ?   ?   ?   ?  0.000000      ? 
1 1 1   33   47    0 o   33.837   16.520   8.9882   12.696  -8.5366   29.038   13.130   14.117  ?   ?    35.288   17.269 0.000000 17.26880 
1 1 1   33   47    1 o   32.368   16.082   5.7630   13.947   0.0000   0.0000   5.7630   13.947  ?   ?    32.368   16.082 0.000000 16.08223 
1 1 1   34    0    0 o   29.202   20.965 -32.9125   20.258 -32.9125   20.258 -32.9125   20.258   29.202   20.965   29.202   20.965 0.000000 0.000000 
1 1 1   34    0    1 o   86.179   35.521   37.258   20.991   37.258   20.991   37.258   20.991   86.179   35.521   86.179   35.521 0.000000 0.000000 
1 1 1   34    0    2 o   61.488   33.622   19.456   20.424   19.456   20.424   19.456   20.424   61.488   33.622   61.488   33.622 0.000000 0.000000 
1 1 1   34    0    3 o   46.629   29.767   2.7789   21.365   2.7789   21.365   2.7789   21.365   46.629   29.767   46.629   29.767 0.000000 0.000000 
1 1 1   34    0    4 o   82.111   35.428   34.774   20.705   34.774   20.705   34.774   20.705   82.111   35.428   82.111   35.428 0.000000 0.000000 
1 1 1   34    0    5 o   67.493   34.757   24.696   20.758   24.696   20.758   24.696   20.758   67.493   34.757   67.493   34.757 0.000000 0.000000 
1 1 1   34    0    6 o   44.397   28.382   2.7236   19.505   2.7236   19.505   2.7236   19.505   44.397   28.382   44.397   28.382 0.000000 0.000000 
1 1 1   34    0    7 o   35.015   24.080 -12.0420   19.098 -12.0420   19.098 -12.0420   19.098   35.015   24.080   35.015   24.080 0.000000 0.000000 
1 1 1   34    0    8 o   51.655   31.063   11.609   20.073   11.609   20.073   11.609   20.073   51.655   31.063   51.655   31.063 0.000000 0.000000 
1 1 1   34    0    9 o   54.798   32.262   15.065   20.813   15.065   20.813   15.065   20.813   54.798   32.262   54.798   32.262 0.000000 0.000000 
1 1 1   34    0   10 o   34.750   24.702 -29.2780   25.520 -29.2780   25.520 -29.2780   25.520   34.750   24.702   34.750   24.702 0.000000 0.000000 
1 1 1   34    0   11 o   29.740   21.630 -48.0829   25.310 -48.0829   25.310 -48.0829   25.310   29.740   21.630   29.740   21.630 0.000000 0.000000 
1 1 1   34    0   12 o   32.969   23.021 -13.4602   19.235 -13.4602   19.235 -13.4602   19.235   32.969   23.021   32.969   23.021 0.000000 0.000000 
1 1 1   34    0   13 o   54.690   31.327   20.054   18.777   20.054   18.777   20.054   18.777   54.690   31.327   54.690   31.327 0.000000 0.000000 
1 1 1   34    2    0 o   65.312   24.199   24.718   14.529   24.851   20.179   24.575   20.937   62.019   26.507   61.564   26.662 0.4553528 37.59634 
1 1 1   34    2    1 o   54.998   22.950   15.506   14.545   10.960   20.561   20.059   20.580   52.755   24.310   58.193   25.778 -5.438457 35.43256 
1 1 1   34    2    2 o   40.504   19.270  -4.4538   14.784   2.8668   21.141 -11.4591   20.681   48.520   23.072   42.779   20.928 5.740795 31.14935 
1 1 1   34    2    3 o   40.625   19.351  -3.7430   15.005   8.8634   20.888 -17.1835   21.568   50.335   23.628   41.133   20.360 9.202774 31.19019 
1 1 1   34    2    4 o   50.067   22.653   12.116   16.827 -12.7707   28.483   25.457   20.855   45.238   22.558   58.187   25.854 -12.94865 34.31162 
1 1 1   34    2    5 o  102.509   21.699   56.549   14.915   46.015   21.465   66.384   20.741   70.441   28.462   93.504   29.018 -23.06283 40.64662 
1 1 1   34    2    6 o   59.405   23.508   25.743   14.335   29.838   20.878   22.091   19.718   56.338   25.385   52.407   24.022 3.931442 34.94949 
1 1 1   34    2    7 o   48.332   21.389   16.151   14.134   43.700   20.114 -10.7138   19.864   63.492   26.771   37.823   18.857 25.66836 32.74586 
1 1 1   34    2    8 o   29.526   14.843 -19.5888   13.584 -27.7373   19.647 -12.1258   18.802   32.712   16.598   35.510   17.800 -2.798466 24.33737 
1 1 1   34    2    9 o   41.813   19.998   13.966   16.365   24.980   28.147   8.3405   20.115   42.962   21.568   39.621   19.621 3.340801 29.15732 
1 1 1   34    2   10 o   41.930   19.990   19.707   16.082   26.361   25.529   15.328   20.708   40.662   20.430   39.029   19.425 1.632923 28.19035 
1 1 1   34    2   11 o   42.874   20.232   27.539   15.677   46.235   19.187 -10.0098   27.191   47.446   22.387  ?   ?  0.000000 22.38709 
1 1 1   34    2   12 o   34.692   17.252   16.180   16.190   0.2104   20.059   46.029   27.424  ?   ?   ?   ?  0.000000      ? 
1 1 1   34    2   13 o  ?   ?  -22.2978   12.988 -27.3983   18.266 -17.0821   18.470  ?   ?   ?   ?  0.000000      ? 
1 1 1   34    4    0 o   40.441   19.169  -4.4136   14.371  -5.8223   20.220  -2.9756   20.429   44.936   21.677   46.219   22.168 -1.282318 31.00511 
1 1 1   34    4    1 o   60.531   23.750   21.012   14.516   38.267   20.582   3.9356   20.476   72.362   28.312   49.045   23.137 23.31622 36.56362 
1 1 1   34    4    2 o   45.564   20.817   4.4930   14.646 -10.0544   20.824   18.734   20.604   43.245   21.123   56.443   25.344 -13.19796 32.99253 
1 1 1   34    4    3 f   55.396   23.082   17.527   14.683   12.232   20.305   23.330   21.258   51.724   23.948   58.080   25.935 -6.355244 35.30036 
1 1 1   34    4    4 o   34.961   17.426 -22.1248   16.926 -23.6737   20.621 -18.9268   29.630   37.916   18.951   44.310   22.229 -6.393505 29.21082 
1 1 1   34    4    5 f   53.869   22.604   18.502   14.229   37.138   20.869   2.3132   19.451   63.824   27.109   44.433   21.392 19.39165 34.53285 
1 1 1   34    4    6 o   49.896   21.799   15.968   14.254   14.354   20.957   17.357   19.446   48.183   22.929   49.716   23.160 -1.533226 32.59024 
1 1 1   34    4    7 o   28.804   14.545 -26.1316   13.878 -35.5592   20.204 -17.7109   19.095   32.661   16.598   35.508   17.818 -2.846790 24.35049 
1 1 1   34    4    8 o   31.162   15.711 -21.2090   15.833 -20.1366   27.784 -21.7249   19.268  ?   ?    33.555   16.964 0.000000 16.96372 
1 1 1   34    4    9 o   40.996   19.680   12.428   16.180   53.171   27.181  -9.9336   20.137   50.114   24.401   35.002   17.656 15.11224 30.11905 
1 1 1   34    4   10 o   32.547   16.162  -2.9875   14.008   15.444   20.079 -20.4662   19.553   39.011   19.368  ?   ?  0.000000 19.36800 
1 1 1   34    4   11 o   29.908   15.044  -6.7150   14.057   1.3301   19.496 -15.4274   20.288   33.297   16.856  ?   ?  0.000000 16.85636 
1 1 1   34    4   12 o   34.821   17.081   14.797   14.066  -2.3448   20.040   31.444   19.749  ?   ?    37.214   18.592 0.000000 18.59190 
1 1 1   34    4   13 o   30.555   15.403   11.233   15.187   18.205   18.511  -3.1224   26.562   31.390   15.945  ?   ?  0.000000 15.94523 
1 1 1   34    6    0 o   49.835   21.831   9.8685   14.382   10.659   20.590   9.1153   20.098   52.450   24.224   51.476   23.831 0.9737778 33.98117 
1 1 1   34    6    1 o   75.583   25.960   35.863   16.403   12.600   27.188   49.177   20.568   54.396   25.949   82.975   29.037 -28.57912 38.94260 
1 1 1   34    6    2 o   52.711   22.449   14.005   14.382   19.973   20.055   7.6856   20.636   56.963   25.330   50.121   23.514 6.841778 34.56168 
1 1 1   34    6    3 o   92.453   23.033   46.586   14.684   57.226   20.860   36.136   20.673   88.010   29.279   67.352   27.661 20.65850 40.27858 
1 1 1   34    6    4 o   49.061   21.518   11.820   14.009   10.826   20.054   12.767   19.579   49.505   23.211   50.419   23.404 -0.9135666 32.96205 
1 1 1   34    6    5 o   42.564   20.204   2.2219   16.072  -5.1366   29.466   5.3381   19.176   45.472   22.717   45.383   21.689 0.8945465E-01 31.40810 
1 1 1   34    6    6 o   29.983   15.183 -32.9072   15.898 -74.2439   29.876 -16.5780   18.778  ?   ?    36.498   18.218 0.000000 18.21827 
1 1 1   34    6    7 o   48.573   22.026   18.051   16.010   41.839   28.896   7.5132   19.232   52.938   25.631   43.082   20.872 9.855892 33.05395 
1 1 1   34    6    8 o   39.200   19.005   4.1773   16.015   7.8634   27.826   2.3517   19.583   41.956   21.112   39.521   19.533 2.434875 28.76167 
1 1 1   34    6    9 o   31.237   15.584 -10.1782   13.664 -26.3405   19.399   5.7357   19.250  ?   ?    38.451   19.069 0.000000 19.06854 
1 1 1   34    6   10 o   46.762   21.015   25.638   14.198   20.036   19.399   32.100   20.834   40.306   19.829   43.650   21.278 -3.343781 29.08500 
1 1 1   34    6   11 o   39.297   18.677   18.436   13.819   13.503   19.447   23.468   19.641   35.730   17.936   38.230   19.010 -2.500412 26.13548 
1 1 1   34    6   12 o   27.061   13.721 -10.2275   13.280   0.4866   19.085 -20.2836   18.490  ?   ?   ?   ?  0.000000      ? 
1 1 1   34    6   13 o   29.503   14.815   7.2011   13.316   3.8177   18.669   10.705   18.998  ?   ?   ?   ?  0.000000      ? 
1 1 1   34    8    0 o   57.110   23.522   18.287   15.002   29.778   21.258   6.8849   21.175   64.027   27.282   50.376   23.693 13.65083 36.13379 
1 1 1   34    8    1 o   30.953   15.644 -37.6959   16.287 -24.9747   19.976 -62.9268   28.132   38.026   18.950  ?   ?  0.000000 18.95019 
1 1 1   34    8    2 o   49.237   21.680   10.323   14.345   13.023   20.569   7.7668   20.016   52.430   24.214   49.588   23.230 2.841644 33.55541 
1 1 1   34    8    3 o   53.977   22.554   16.531   14.076   8.7906   20.514   23.417   19.349   49.405   23.262   57.928   25.351 -8.522141 34.40611 
1 1 1   34    8    4 o   52.608   22.953   16.680   15.756   25.312   28.968   13.054   18.776   54.874   26.340   50.113   23.141 4.761509 35.06102 
1 1 1   34    8    5 o   61.381   26.966   37.053   22.082  -8.4439   31.324   82.000   31.134   44.971   22.599   75.605   32.628 -30.63386 39.69054 
1 1 1   34    8    6 o   57.483   24.191   27.394   16.372   76.976   30.351   7.0470   19.443   69.259   30.953   44.374   21.370 24.88513 37.61333 
1 1 1   34    8    7 o   41.434   19.433   7.0018   14.079 -16.3365   20.472   27.947   19.394   36.329   18.258   52.375   23.939 -16.04559 30.10738 
1 1 1   34    8    8 o   33.867   16.629  -5.0955   13.429  -6.9066   19.030  -3.2991   18.953   36.488   18.233   37.428   18.621 -0.9394569 26.06083 
1 1 1   34    8    9 o   29.295   14.759 -16.9252   13.822 -11.5169   19.813 -22.0529   19.292   34.182   17.274   31.932   16.226 2.249409 23.69957 
1 1 1   34    8   10 o   34.649   17.030   3.6793   14.198   7.7901   19.754  -0.7142   20.422   36.526   18.299   34.724   17.547 1.802086 25.35243 
1 1 1   34    8   11 o   32.321   16.045   2.7092   13.768   1.1131   19.559   4.2769   19.383   32.869   16.665   33.464   16.926 -0.5948181 23.75331 
1 1 1   34    8   12 f   37.333   17.978   21.325   13.761   44.824   19.125  -3.8990   19.815   41.044   20.089  ?   ?  0.000000 20.08867 
1 1 1   34    8   13 o  ?   ?  -24.4351   13.504  -9.5856   19.375 -38.4625   18.831  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   10    0 o   68.687   26.864   33.317   18.525   21.161   36.073   37.672   21.590   56.788   27.751   69.159   28.320 -12.37090 39.64989 
1 1 1   34   10    1 o   59.603   24.865   22.733   17.068   1.3107   30.396   32.598   20.628   50.577   24.870   65.474   27.326 -14.89725 36.94955 
1 1 1   34   10    2 o   58.358   24.458   21.855   16.624   0.2543   29.795   31.618   20.031   49.513   24.400   64.285   26.888 -14.77184 36.30884 
1 1 1   34   10    3 o   57.884   24.014   21.941   15.794   1.9171   27.877   31.407   19.167   48.508   23.846   63.567   26.420 -15.05860 35.58984 
1 1 1   34   10    4 o   65.374   24.979   30.671   15.747   5.1707   28.374   42.020   18.929   48.245   23.782   71.800   27.398 -23.55497 36.28022 
1 1 1   34   10    5 o   47.795   21.903   12.542   16.380 -49.2683   30.283   38.106   19.475  ?   ?    64.553   26.714 0.000000 26.71395 
1 1 1   34   10    6 o   33.921   16.708 -10.5300   13.911 -30.8130   20.695   6.1904   18.790   34.298   17.363   43.480   20.956 -9.181671 27.21429 
1 1 1   34   10    7 o   43.141   19.942   10.366   13.995 -11.9700   20.160   31.144   19.444   36.904   18.489   53.596   24.292 -16.69181 30.52707 
1 1 1   34   10    8 o   33.218   16.419  -7.0559   13.844 -10.1724   19.734  -4.0353   19.427   35.716   17.947   37.093   18.518 -1.377533 25.78771 
1 1 1   34   10    9 o   37.207   17.990   6.0540   14.121   10.422   19.815   1.5467   20.129   39.187   19.418   36.873   18.473 2.314606 26.80122 
1 1 1   34   10   10 o   29.519   14.885 -12.1826   14.239  -6.6466   20.379 -17.4631   19.903   33.302   16.898  ?   ?  0.000000 16.89756 
1 1 1   34   10   11 o   46.810   20.845   30.901   13.631   27.070   18.731   35.215   19.875   38.943   19.221   40.747   20.051 -1.804237 27.77534 
1 1 1   34   10   12 o   31.200   15.624   6.3410   14.333   3.7158   19.916   9.1614   20.643  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   10   13 o  ?   ?  -16.5934   15.805 -17.6814   18.889 -14.0537   28.860  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   12    0 o   45.662   22.076  -2.2474   21.251   25.595   33.291 -21.3951   27.608   57.216   27.654   43.802   21.898 13.41465 35.27415 
1 1 1   34   12    1 o   59.702   25.041   23.906   17.448   52.537   31.706   11.471   20.896   67.327   30.709   51.171   23.895 16.15635 38.91055 
1 1 1   34   12    2 o   45.223   21.057   4.4819   16.046 -32.4976   30.103   19.159   18.965   42.353   21.391   54.876   24.500 -12.52277 32.52443 
1 1 1   34   12    3 o   71.456   25.393   35.155   15.778  -0.3540   28.606   50.679   18.915   47.511   23.505   82.574   27.882 -35.06306 36.46788 
1 1 1   34   12    4 o   37.625   18.175  -5.4220   14.331 -52.5723   21.163   34.509   19.475  ?   ?    63.041   26.449 0.000000 26.44908 
1 1 1   34   12    5 o   41.526   19.431   4.1571   13.936 -17.7422   20.891   21.716   18.706   37.825   18.930   52.472   23.800 -14.64719 30.41023 
1 1 1   34   12    6 o   33.649   16.826 -17.5592   16.343   23.551   28.188 -38.3775   20.059   48.731   23.960  ?   ?  0.000000 23.96010 
1 1 1   34   12    7 o   38.569   18.712   1.5198   15.601   12.424   29.356  -2.7721   18.417   43.807   21.997   38.229   18.904 5.577209 29.00360 
1 1 1   34   12    8 o   58.976   24.284   37.102   15.985   35.024   28.422   38.063   19.333   46.006   22.875   53.623   24.270 -7.616405 33.35109 
1 1 1   34   12    9 o   32.992   16.533  -7.2644   16.174  -0.5371   27.070 -10.9994   20.170  ?   ?    33.830   17.128 0.000000 17.12827 
1 1 1   34   12   10 o   30.506   15.320  -7.5449   14.257   1.3885   20.223 -16.3711   20.101   34.440   17.408  ?   ?  0.000000 17.40804 
1 1 1   34   12   11 o   30.022   15.057  -2.7626   13.545   15.010   18.488 -23.3585   19.902   35.171   17.632  ?   ?  0.000000 17.63239 
1 1 1   34   12   12 o  ?   ?  -27.4194   15.898 -34.7463   25.922 -23.0019   20.128  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   12   13 o  ?   ?    1.0546   15.600   16.228   18.892 -31.4732   27.661  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   14    0 o   63.692   26.065   29.783   18.275   8.6049   33.093   39.076   21.921   51.727   25.533   67.612   28.190 -15.88538 38.03472 
1 1 1   34   14    1 o   46.180   21.700   4.8751   17.693  -6.3854   32.280   9.7112   21.154   47.948   23.926   49.693   23.465 -1.744511 33.51251 
1 1 1   34   14    2 o   81.432   25.624   43.271   16.110   44.180   31.519   42.949   18.743   61.329   28.863   74.597   27.516 -13.26815 39.87737 
1 1 1   34   14    3 o   42.365   19.540   4.1274   13.328  -3.0047   19.564   10.303   18.205   42.634   20.746   47.971   22.368 -5.336891 30.50797 
1 1 1   34   14    4 o   34.424   16.880 -10.6970   13.693 -10.5357   20.034 -10.8385   18.758   39.670   19.634   38.748   19.145 0.9215164 27.42255 
1 1 1   34   14    5 o   43.945   20.519   8.1097   15.404   0.1436   26.965   11.969   18.768   44.045   21.961   46.459   21.988 -2.414593 31.07645 
1 1 1   34   14    6 o   36.561   17.957  -5.7913   15.696 -13.6927   27.205  -1.8491   19.216   39.925   20.181   39.782   19.603 0.1429253 28.13488 
1 1 1   34   14    7 o   32.785   16.395 -14.0335   15.527 -21.3317   28.257 -10.8766   18.584  ?   ?    35.626   17.834 0.000000 17.83367 
1 1 1   34   14    8 o   36.800   18.038   1.9402   15.589 -20.3756   26.906   13.217   19.127  ?   ?    41.316   20.194 0.000000 20.19380 
1 1 1   34   14    9 o   43.534   21.233   28.799   20.827   0.0000   0.0000   28.799   20.827  ?   ?    43.534   21.233 0.000000 21.23294 
1 1 1   34   14   10 o   31.274   15.759  -6.1335   15.807  -3.6737   26.114  -7.5558   19.858  ?   ?    32.294   16.415 0.000000 16.41530 
1 1 1   34   14   11 o   32.895   16.487   7.1497   16.117   58.049   26.356 -23.2505   20.369   40.189   20.264  ?   ?  0.000000 20.26352 
1 1 1   34   14   12 o  ?   ?    0.0724   18.467   0.0724   18.467   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   14   13 o  ?   ?  -11.1981   13.219 -18.9023   18.305  -2.8024   19.109  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   16    0 o   50.294   23.900   11.683   22.614   0.0000   0.0000   11.683   22.614  ?   ?    50.294   23.900 0.000000 23.89977 
1 1 1   34   16    1 o   37.686   18.189  -6.3765   14.281 -16.6273   20.712   2.9136   19.717   39.508   19.624   45.532   21.822 -6.024109 29.34823 
1 1 1   34   16    2 o   43.460   20.085   4.9400   14.187  -4.3129   20.471   13.490   19.678   42.727   20.885   49.916   23.268 -7.189102 31.26660 
1 1 1   34   16    3 o   59.593   23.272   24.236   13.887   24.194   20.034   24.275   19.266   54.866   24.781   55.279   24.686 -0.4136200 34.97863 
1 1 1   34   16    4 o   37.097   17.937  -4.4357   14.038 -26.6285   21.238   12.785   18.708   36.075   18.189   47.494   22.316 -11.41945 28.78963 
1 1 1   34   16    5 o   37.126   18.140  -5.1220   15.397 -28.1220   26.986   5.9775   18.747   38.170   19.376   43.155   20.831 -4.984474 28.44959 
1 1 1   34   16    6 o   38.243   18.579  -0.0640   15.518   9.8293   26.986  -4.9516   18.968   43.805   21.861   38.203   18.942 5.601978 28.92638 
1 1 1   34   16    7 o   28.656   14.569 -31.0302   15.695 -30.7707   27.743 -31.1523   19.034  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   16    8 o   43.030   20.820   19.747   18.988   0.0000   0.0000   19.747   18.988  ?   ?    43.030   20.820 0.000000 20.81956 
1 1 1   34   16    9 o   45.815   21.241   27.515   16.052   66.927   26.494   4.6566   20.177   49.956   24.271   36.166   18.170 13.79004 30.31867 
1 1 1   34   16   10 o   28.454   14.469 -17.0011   15.553  -7.0293   24.977 -23.3156   19.876  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   16   11 o   34.929   17.534   18.637   18.589   18.190   24.763   19.215   28.138  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   16   12 o   30.076   15.169   7.0749   14.828   5.2195   23.379   8.3235   19.179  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   16   13 o  ?   ?   -9.1814   14.891 -21.6634   24.707  -2.0603   18.662  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   18    0 o   50.824   22.426   14.993   15.426   4.1928   21.430   26.607   22.223   46.163   22.281   56.451   25.734 -10.28786 34.03898 
1 1 1   34   18    1 f   40.060   19.053  -0.8876   14.432 -15.9951   20.490   13.986   20.330   39.001   19.397   49.879   23.381 -10.87813 30.37932 
1 1 1   34   18    2 o   42.069   19.734   3.2814   14.527  -7.8072   20.966   13.522   20.148   41.254   20.356   49.047   23.081 -7.793259 30.77545 
1 1 1   34   18    3 o   47.616   21.091   12.695   13.775   5.7754   20.099   18.824   18.916   44.871   21.638   51.007   23.435 -6.136230 31.89624 
1 1 1   34   18    4 o   41.817   19.877   4.2753   15.663   38.293   26.665 -13.6457   19.354   55.310   26.186   37.385   18.635 17.92510 32.13996 
1 1 1   34   18    5 o   39.908   19.110   2.9240   15.047   31.756   27.064  -9.9759   18.103   50.649   24.590   36.802   18.292 13.84695 30.64723 
1 1 1   34   18    6 o   40.651   19.379   6.8263   15.113 -17.7610   26.745   18.360   18.318   37.911   19.249   46.236   21.834 -8.324814 29.10705 
1 1 1   34   18    7 o   44.689   20.845   17.676   15.833   23.337   25.870   14.287   20.020   43.954   21.849   42.246   20.651 1.708004 30.06405 
1 1 1   34   18    8 o   31.385   15.687  -9.3139   14.130 -35.6048   20.330   15.255   19.653  ?   ?    40.462   19.916 0.000000 19.91622 
1 1 1   34   18    9 o   46.402   20.879   26.076   14.067   11.315   19.625   41.674   20.174   37.111   18.540   47.002   22.402 -9.890427 29.07907 
1 1 1   34   18   10 o  ?   ?  -31.6983   15.698 -53.4054   19.184   12.288   27.309  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   18   11 o   30.716   15.530   2.2768   16.185   3.7757   19.837  -0.7083   27.994  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   18   12 o   32.022   15.983   16.390   14.441   41.678   22.699  -0.8065   18.718  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   20    0 o   51.019   22.295   16.298   14.916   27.984   20.607   3.4350   21.620   56.713   25.414   45.090   21.911 11.62262 33.55529 
1 1 1   34   20    1 o   50.373   22.099   15.793   14.783   24.508   20.547   6.4406   21.285   54.281   24.744   45.835   22.143 8.445473 33.20532 
1 1 1   34   20    2 o   41.019   19.318   2.8918   14.162   17.909   20.043 -12.0823   20.014   50.176   23.421   38.837   19.291 11.33914 30.34267 
1 1 1   34   20    3 o   52.279   22.257   19.316   14.128   19.751   20.521   18.924   19.479   50.031   23.464   49.850   23.208 0.1808434 33.00317 
1 1 1   34   20    4 o   36.809   17.995  -5.0448   15.212  -6.2000   24.816  -4.3496   19.253   41.059   20.561   39.403   19.455 1.656376 28.30644 
1 1 1   34   20    5 o   40.718   19.479   5.6135   15.547   29.463   27.136  -6.0401   18.968   48.622   23.826   37.820   18.785 10.80180 30.34028 
1 1 1   34   20    6 o   30.967   15.584 -18.8605   15.183 -17.2146   25.535 -19.7606   18.884   36.932   18.757   33.440   16.896 3.492039 25.24480 
1 1 1   34   20    7 o   36.852   17.771   4.0496   13.563   4.1391   19.065   3.9580   19.298   38.183   18.942   38.171   18.957 0.1125336E-01 26.79910 
1 1 1   34   20    8 o   32.696   16.219  -3.4538   13.964   0.9585   18.857  -8.8106   20.777   35.643   17.860   34.061   17.260 1.582153 24.83730 
1 1 1   34   20    9 f   37.485   18.716   15.923   19.877  -2.9717   27.749   35.834   28.485  ?   ?    39.409   19.995 0.000000 19.99472 
1 1 1   34   20   10 o   34.951   17.080   11.435   13.670  -3.6813   18.986   27.705   19.697  ?   ?    38.063   18.944 0.000000 18.94444 
1 1 1   34   20   11 o   28.802   14.451  -0.3323   12.541 -12.0849   17.639   11.682   17.834  ?   ?    32.099   16.236 0.000000 16.23569 
1 1 1   34   20   12 o  ?   ?   -9.5791   12.631   1.0969   17.580 -20.9711   18.159  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   22    0 o   38.041   18.479  -4.6274   15.338   15.307   20.807 -28.3502   22.698   48.647   23.061   36.681   18.532 11.96645 29.58433 
1 1 1   34   22    1 o   52.486   22.418   19.333   14.416   16.833   19.970   22.053   20.833   49.112   23.070   51.518   23.991 -2.406551 33.28288 
1 1 1   34   22    2 f   35.003   17.070  -7.0093   13.452   3.0120   18.832 -17.4492   19.222   42.443   20.584   36.293   18.163 6.149990 27.45193 
1 1 1   34   22    3 o   38.121   18.295  -0.1974   13.962  -7.6352   19.685   7.3327   19.807   38.695   19.205   43.639   21.151 -4.944057 28.56960 
1 1 1   34   22    4 o   45.663   21.169   14.233   15.943   7.3122   27.336   17.801   19.627   43.541   21.771   46.852   22.265 -3.310955 31.13984 
1 1 1   34   22    5 o   35.647   17.883 -12.2526   19.176   0.0000   0.0000 -12.2526   19.176  ?   ?    35.647   17.883 0.000000 17.88302 
1 1 1   34   22    6 o   45.160   20.845   18.006   15.213   11.146   25.914   21.613   18.791   41.228   20.697   45.414   21.639 -4.185879 29.94351 
1 1 1   34   22    7 o   31.492   15.691  -8.3441   13.668   18.200   19.417 -34.4154   19.243   41.763   20.398  ?   ?  0.000000 20.39833 
1 1 1   34   22    8 o   34.975   17.371   3.0034   16.213   12.321   18.911 -22.8439   31.496   37.906   18.816  ?   ?  0.000000 18.81561 
1 1 1   34   22    9 o   39.304   18.942   19.605   15.347   21.023   17.939   15.732   29.643   38.581   18.997  ?   ?  0.000000 18.99748 
1 1 1   34   22   10 o   31.745   15.765   4.7005   13.337   8.4898   17.980   0.0655   19.885   32.920   16.615  ?   ?  0.000000 16.61531 
1 1 1   34   22   11 o   35.225   16.999   18.307   12.463   0.3405   17.809   35.547   17.446  ?   ?    37.459   18.500 0.000000 18.49963 
1 1 1   34   22   12 f  ?   ?  -13.6834   13.044 -13.5037   18.533 -13.8597   18.363  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   24    0 o   39.098   18.894  -0.9030   15.522   6.7640   21.695  -8.9443   22.218   44.281   21.613   39.927   19.912 4.353870 29.38740 
1 1 1   34   24    1 o   96.536   23.286   57.851   15.379   92.512   21.614   22.309   21.886  111.265   28.069   49.915   23.659 61.34926 36.70970 
1 1 1   34   24    2 o   34.420   16.900  -8.1212   13.872 -15.2159   19.648  -1.0686   19.590   36.491   18.277   40.420   19.893 -3.929565 27.01456 
1 1 1   34   24    3 o   38.483   18.380   2.1377   13.725 -23.4423   18.989   30.118   19.860   33.739   17.034   53.008   24.227 -19.26891 29.61623 
1 1 1   34   24    4 o   38.841   18.788   2.7811   15.441   6.8537   26.489   0.6852   19.003   42.251   21.171   39.308   19.393 2.943016 28.71063 
1 1 1   34   24    5 o   52.460   23.014   28.598   16.032   13.737   28.023   35.828   19.546   42.278   21.262   52.897   24.121 -10.61960 32.15471 
1 1 1   34   24    6 o   52.814   22.522   28.977   14.510   57.593   21.467   4.9088   19.688   59.948   26.453   38.346   19.061 21.60266 32.60521 
1 1 1   34   24    7 o   30.953   15.642 -14.6506   16.244 -28.8428   19.623   16.244   28.953  ?   ?    39.050   19.846 0.000000 19.84639 
1 1 1   34   24    8 o   29.890   14.994  -8.2355   13.468  -9.9014   18.381  -6.3044   19.791   31.811   16.132   32.922   16.700 -1.111025 23.21857 
1 1 1   34   24    9 o   31.612   15.733   1.2517   13.579   9.4884   17.740 -10.4034   21.103   34.370   17.237  ?   ?  0.000000 17.23664 
1 1 1   34   24   10 o   44.786   20.307   33.074   13.605   29.220   18.970   37.156   19.524   36.703   18.319   38.511   19.116 -1.807735 26.47688 
1 1 1   34   24   11 o  ?   ?   -9.8122   12.889 -20.0169   18.155   0.5601   18.303  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   26    0 o   56.218   23.510   27.109   15.311   43.855   20.727   6.9963   22.715   61.607   26.605   43.377   21.363 18.23027 34.11987 
1 1 1   34   26    1 o   41.476   19.620   6.7023   14.909   7.0738   21.148   6.3351   21.022   42.907   21.027   42.649   20.913 0.2575951 29.65601 
1 1 1   34   26    2 o   39.377   18.841   3.6273   14.561 -14.3305   21.118   19.902   20.104   36.764   18.485   47.224   22.468 -10.46032 29.09514 
1 1 1   34   26    3 o   43.577   20.037   12.238   13.866   34.873   19.616 -10.3671   19.604   54.245   24.509   36.417   18.242 17.82804 30.55283 
1 1 1   34   26    4 o   28.703   14.512 -23.6717   14.129 -41.3953   20.974  -8.9445   19.119  ?   ?    35.846   17.965 0.000000 17.96531 
1 1 1   34   26    5 o   61.953   26.445   54.046   20.038   42.605   26.786   68.585   30.194   47.744   23.451   52.479   25.589 -4.734047 34.70947 
1 1 1   34   26    6 o   29.611   15.023 -21.9379   16.078 -24.0056   19.585 -17.6634   28.158  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   26    7 o   35.729   17.387   6.3583   13.745  -7.1281   19.822   18.847   19.075   33.400   16.918   39.786   19.591 -6.385429 25.88444 
1 1 1   34   26    8 o   47.889   21.353   31.759   14.355   14.602   19.739   51.020   20.914   36.466   18.273   47.276   22.610 -10.80961 29.07051 
1 1 1   34   26    9 o   31.148   15.510   2.1251   13.264   33.998   17.682 -38.8924   20.059   41.005   19.900  ?   ?  0.000000 19.90040 
1 1 1   34   26   10 o   34.859   17.234   20.329   15.286   22.342   18.443   15.912   27.320   34.032   17.133  ?   ?  0.000000 17.13251 
1 1 1   34   26   11 o   31.171   15.717   18.601   15.860   7.4439   27.470   24.180   19.425  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   28    0 o   43.924   20.560   12.549   15.625 -11.0168   20.825   42.899   23.634   37.073   18.604   54.867   25.551 -17.79412 31.60589 
1 1 1   34   28    1 o   53.958   23.028   26.790   15.189   46.019   20.900   5.2643   22.113   59.739   26.240   41.342   20.491 18.39613 33.29293 
1 1 1   34   28    2 o   36.428   17.749  -0.9237   14.446   11.063   20.803 -12.0870   20.076   42.439   20.809   35.947   18.068 6.491329 27.55840 
1 1 1   34   28    3 o   45.300   20.640   16.715   14.273  -2.4767   20.415   35.066   19.963   37.811   18.892   51.947   23.943 -14.13591 30.49919 
1 1 1   34   28    4 o   29.854   15.154 -25.7605   16.503 -24.1875   19.722 -29.4342   30.140   32.273   16.400  ?   ?  0.000000 16.40018 
1 1 1   34   28    5 o   42.108   20.543   19.338   19.534   38.478   25.726  -6.7220   30.018   45.379   22.421  ?   ?  0.000000 22.42067 
1 1 1   34   28    6 o   36.287   17.580   6.6579   13.645   5.7862   20.529   7.3478   18.262   36.678   18.414   36.921   18.354 -0.2431641 25.99943 
1 1 1   34   28    7 o   39.602   18.756   16.266   13.703   14.450   18.837   18.307   19.971   37.348   18.578   38.189   19.018 -0.8415451 26.58663 
1 1 1   34   28    8 o   35.046   17.350   11.236   15.687  -8.1377   18.978   53.024   27.872  ?   ?    40.006   20.242 0.000000 20.24170 
1 1 1   34   28    9 o   35.395   17.164   15.290   13.086   27.149   17.582   0.5640   19.592   37.217   18.415  ?   ?  0.000000 18.41487 
1 1 1   34   28   10 o   29.698   15.041   5.6552   15.643   14.215   26.171   0.8975   19.512  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   30    0 o   46.561   21.762   20.797   17.394   34.231   21.021  -8.3756   30.977   50.936   23.844  ?   ?  0.000000 23.84395 
1 1 1   34   30    1 o   45.860   20.946   17.947   14.813   25.031   20.506   10.217   21.420   46.738   22.362   41.412   20.460 5.325695 30.30960 
1 1 1   34   30    2 o   36.041   17.637  -0.1612   14.726   13.282   20.835 -13.5793   20.816   41.807   20.564   35.100   17.735 6.707035 27.15525 
1 1 1   34   30    3 o   33.547   16.809  -9.5957   16.696   11.551   20.061 -57.2683   30.120   40.523   19.980  ?   ?  0.000000 19.98011 
1 1 1   34   30    4 o   40.960   19.831   14.886   17.295   19.727   21.075   4.9024   30.263   41.827   20.595  ?   ?  0.000000 20.59508 
1 1 1   34   30    5 o   75.441   25.677   58.516   16.043   66.780   26.637   53.812   20.096   50.764   24.586   55.912   25.073 -5.147942 35.11599 
1 1 1   34   30    6 o   35.854   17.486   7.7792   14.116   18.689   21.177  -0.9445   18.936   38.536   19.253   33.962   17.130 4.574368 25.77013 
1 1 1   34   30    7 o   40.647   19.458   23.380   15.570   9.6049   24.975   32.137   19.913  ?   ?    40.841   20.092 0.000000 20.09181 
1 1 1   34   30    8 o   42.548   19.616   26.686   13.412   9.4235   18.252   46.949   19.774   33.324   16.809   43.240   20.999 -9.916523 26.89813 
1 1 1   34   30    9 o  ?   ?  -23.4208   14.085 -44.9366   22.509  -9.5754   18.057  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   30   10 o   46.326   20.405   40.575   12.716   40.379   16.618   40.852   19.751   37.215   18.317   34.370   17.355 2.845184 25.23302 
1 1 1   34   32    0 o   41.152   19.937   12.474   17.548   4.4688   21.533   28.302   30.278   38.853   19.411   43.374   21.851 -4.521034 29.22760 
1 1 1   34   32    1 o   37.834   18.407   5.2418   15.382   6.9971   20.660   3.0586   23.041   39.160   19.476   38.491   19.348 0.6693192 27.45285 
1 1 1   34   32    2 o   46.437   21.763   25.933   17.601   19.783   21.568   38.195   30.455   42.211   20.794   44.061   22.160 -1.849960 30.38841 
1 1 1   34   32    3 o   31.593   15.864 -10.9953   15.275   1.8874   21.378 -24.4316   21.833   36.892   18.556  ?   ?  0.000000 18.55580 
1 1 1   34   32    4 o   34.899   17.142   2.7265   14.311  -2.1859   20.967   7.0114   19.582   35.177   17.776   37.050   18.511 -1.873260 25.66384 
1 1 1   34   32    5 o   36.026   17.715   7.7693   15.425   1.6624   25.715   11.201   19.278  ?   ?    37.034   18.482 0.000000 18.48162 
1 1 1   34   32    6 o  ?   ?  -20.0992   14.867 -22.4439   24.845 -18.7913   18.556  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   32    7 o   27.828   14.115 -12.6685   14.128 -10.3691   19.931 -14.9910   20.030  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   32    8 o   29.383   14.887  -2.8245   15.429 -11.9854   29.069   0.7682   18.204  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   32    9 o  ?   ?  -20.7676   12.523 -19.0918   17.146 -22.6834   18.333  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   34    0 o   34.973   17.755 -10.2483   22.695  -2.8049   31.785 -17.9902   32.416  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   34    1 o   33.305   16.915 -15.1791   20.757 -15.1791   20.757   0.0000   0.0000   33.305   16.915  ?   ?  0.000000 16.91452 
1 1 1   34   34    2 o   32.456   16.215  -6.0990   15.022 -13.2510   21.166   1.1603   21.324   33.452   16.998   36.191   18.245 -2.739059 24.93650 
1 1 1   34   34    3 o   42.610   20.021   20.338   15.059   31.815   21.372   9.0221   21.221   43.369   21.229   37.225   18.693 6.144424 28.28601 
1 1 1   34   34    4 o   34.972   17.235   5.3446   14.866   19.773   21.822  -7.1505   20.307   38.667   19.351   33.072   16.790 5.595421 25.61979 
1 1 1   34   34    5 o  ?   ?  -20.4334   15.761 -49.0244   26.174  -4.1684   19.742  ?   ?    32.621   16.560 0.000000 16.56038 
1 1 1   34   34    6 o   30.367   15.299  -3.9669   14.845   0.6868   25.246  -6.4265   18.354  ?   ?    30.907   15.717 0.000000 15.71693 
1 1 1   34   34    7 o  ?   ?  -17.2772   14.874 -23.7659   27.696 -14.6469   17.633  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   34    8 o   29.599   14.828   3.8421   12.954   10.423   18.303  -2.7630   18.337   31.116   15.811  ?   ?  0.000000 15.81082 
1 1 1   34   34    9 o   29.426   14.774   9.5180   13.218   14.864   18.763   4.2510   18.624  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   36    0 o  ?   ?  -19.8527   18.025  -5.9001   22.236 -46.5951   30.784   34.505   17.522  ?   ?  0.000000 17.52228 
1 1 1   34   36    1 o   35.644   17.791   4.2661   17.891   5.1404   22.226   2.6566   30.156   36.272   18.327  ?   ?  0.000000 18.32673 
1 1 1   34   36    2 o   28.837   14.575 -14.9218   14.161 -14.5293   20.820 -15.2598   19.317  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   36    3 o   33.109   16.457   0.9902   14.665   25.155   22.502 -16.8541   19.336   39.233   19.637  ?   ?  0.000000 19.63701 
1 1 1   34   36    4 o   36.050   17.638   11.281   14.705   34.893   21.280 -10.2997   20.345   41.120   20.331  ?   ?  0.000000 20.33051 
1 1 1   34   36    5 o  ?   ?  -40.7132   14.465 -53.5978   22.116 -31.0803   19.123  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   36    6 o  ?   ?  -28.6390   16.590   0.0000   0.0000 -28.6390   16.590  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   36    7 o   47.083   20.771   37.361   13.227   55.792   18.977   19.949   18.445   43.673   21.052   33.441   16.872 10.23240 26.97841 
1 1 1   34   36    8 o   32.492   16.065   16.953   13.291   14.508   18.991   19.301   18.607  ?   ?    31.178   15.852 0.000000 15.85195 
1 1 1   34   38    0 o   40.274   19.308   19.504   15.459   47.322   23.062  -3.1960   20.833   44.846   21.973   33.541   17.026 11.30474 27.79719 
1 1 1   34   38    1 f  ?   ?  -16.2500   17.460 -18.1702   21.956 -12.9463   28.799  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   38    2 o   29.920   15.092  -8.7420   14.705   11.054   22.159 -24.3219   19.658   35.583   18.009  ?   ?  0.000000 18.00873 
1 1 1   34   38    3 o   33.356   16.532   5.1364   14.390   36.535   21.023 -22.5431   19.739   41.023   20.269  ?   ?  0.000000 20.26855 
1 1 1   34   38    4 o  ?   ?  -20.0373   14.115 -33.2823   20.614  -8.3459   19.367  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   38    5 o  ?   ?  -20.7576   19.273 -25.6683   32.212 -18.0195   24.053  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   38    6 f   36.030   17.654   22.621   14.891   47.805   27.964   12.653   17.593  ?   ?    32.166   16.257 0.000000 16.25674 
1 1 1   34   38    7 o   29.798   14.942   7.6508   13.315   18.650   18.911  -3.1621   18.750   31.369   15.952  ?   ?  0.000000 15.95204 
1 1 1   34   40    0 o   44.314   20.557   30.123   15.070   25.628   21.481   34.481   21.148   37.835   18.973   40.217   19.952 -2.381756 27.53278 
1 1 1   34   40    1 o  ?   ?  -28.6803   15.237 -10.2726   21.705 -46.5655   21.395  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   40    2 o  ?   ?   -5.4666   20.560  -6.5902   28.702  -4.2824   29.465  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   40    3 o   30.492   15.308  -0.3092   14.175  -6.0407   19.997   5.4795   20.096  ?   ?    32.511   16.524 0.000000 16.52412 
1 1 1   34   40    4 o  ?   ?  -15.9734   19.852   0.0000   0.0000 -15.9734   19.852  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   40    5 o  ?   ?  -23.8673   13.826   3.2846   21.290 -43.6733   18.183  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   40    6 f   32.739   16.306   18.576   14.704   47.039   26.567   6.0060   17.655  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   42    0 o   31.122   15.594   2.3914   14.361 -13.4841   20.224   18.538   20.396  ?   ?    34.693   17.531 0.000000 17.53148 
1 1 1   34   42    1 o  ?   ?  -20.4160   14.382 -33.5612   20.263  -7.0697   20.417  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   42    2 o  ?   ?   -4.2204   16.919   24.085   20.854 -58.7317   28.940   34.839   17.616  ?   ?  0.000000 17.61559 
1 1 1   34   42    3 f   33.178   16.672   15.566   17.033   39.561   28.028   1.5164   21.447  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   42    4 o  ?   ?  -10.6436   14.828  -8.3976   21.208 -12.7916   20.740  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   42    5 o   37.851   18.173   30.574   13.809   5.4675   20.278   52.284   18.857  ?   ?    38.834   19.189 0.000000 19.18874 
1 1 1   34   44    0 o   30.086   15.242   3.2196   16.147  -2.3566   30.654   5.3609   18.996  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   44    1 o   31.192   15.732   9.1966   15.956   2.0068   26.987   13.061   19.785  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   44    2 o  ?   ?   -3.3693   27.179  -3.3693   27.179   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   34   44    3 o  ?   ?  -21.5187   19.581 -29.8683   27.157 -12.4781   28.258  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    1    0 o   46.212   22.200   9.0621   20.675   20.990   29.612  -2.2829   28.879   50.305   24.698   44.741   22.372 5.563919 33.32409 
1 1 1   35    1    1 o   38.281   18.699  -5.7175   16.329  -4.6171   28.526  -6.2539   19.915   43.887   21.987   40.294   19.875 3.592693 29.63873 
1 1 1   35    1    2 o   38.512   18.595  -1.9768   14.959 -22.8180   21.270   18.418   21.041   36.488   18.373   49.218   23.290 -12.72917 29.66478 
1 1 1   35    1    3 o   55.538   25.327   33.991   21.552   33.991   21.552   0.0000   0.0000   55.538   25.327  ?   ?  0.000000 25.32699 
1 1 1   35    1    4 o   40.183   19.226   4.3572   15.158 -13.2230   21.740   20.989   21.146   37.507   18.846   47.777   22.817 -10.27013 29.59365 
1 1 1   35    1    5 o   36.234   17.776  -2.6701   15.240  -1.7537   22.536  -3.4424   20.688   39.283   19.661   38.337   19.134 0.9464035 27.43458 
1 1 1   35    1    6 o   34.899   17.356  -5.2970   16.403 -27.6683   28.854   5.3853   19.938  ?   ?    39.134   19.407 0.000000 19.40691 
1 1 1   35    1    7 o   30.435   15.409 -18.4954   16.321 -18.9463   26.195 -18.2093   20.866  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    1    8 o   39.204   19.419   19.518   19.750   24.400   29.188   15.395   26.824  ?   ?    37.362   19.000 0.000000 18.99958 
1 1 1   35    1    9 o  ?   ?  -19.6134   15.656 -38.2789   19.399   15.259   26.516  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    1   10 o   28.810   14.572  -4.3570   14.355 -11.1868   19.997   2.9046   20.619  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    1   11 o  ?   ?  -12.2246   14.051 -10.9436   19.403 -13.6372   20.375  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    1   12 o   26.929   13.671   3.5861   13.464   7.4302   18.829  -0.4367   19.262  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    1   13 o  ?   ?  -17.4949   13.137 -49.9672   18.364   16.540   18.800  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    3    0 o   58.372   25.940   33.308   21.002  -0.4339   30.135   65.171   29.285   45.269   22.668   66.787   30.082 -21.51805 37.66648 
1 1 1   35    3    1 o   52.165   23.209   20.474   16.860   3.5878   29.672   28.526   20.489   45.699   22.825   55.351   25.025 -9.652527 33.87051 
1 1 1   35    3    2 f   44.899   21.202   9.5074   17.270 -23.1658   30.143   25.473   21.071   40.543   20.570   52.464   24.328 -11.92089 31.85820 
1 1 1   35    3    3 o   60.957   25.290   35.033   17.517   67.122   30.776   19.656   21.305   61.352   28.761   48.491   23.087 12.86066 36.88153 
1 1 1   35    3    4 o   59.956   25.196   36.653   17.720   38.644   31.036   35.690   21.584   50.012   24.694   54.328   24.987 -4.315903 35.13080 
1 1 1   35    3    5 o   44.483   20.888   15.197   16.348   15.054   28.107   15.271   20.097   43.381   21.747   43.925   21.294 -0.5437393 30.43654 
1 1 1   35    3    6 o   35.199   17.444  -3.5035   16.003 -29.3415   26.812   10.793   19.944  ?   ?    40.665   20.025 0.000000 20.02494 
1 1 1   35    3    7 o   42.554   20.259   19.116   16.399   5.2634   27.638   26.643   20.373   37.910   19.279   43.729   21.254 -5.818798 28.69535 
1 1 1   35    3    8 o   31.216   15.629  -5.7075   14.298   8.7544   20.136 -20.4168   20.307   36.269   18.213  ?   ?  0.000000 18.21297 
1 1 1   35    3    9 o   42.630   20.199   29.899   15.925   44.799   19.569   0.6917   27.400   44.728   21.515  ?   ?  0.000000 21.51516 
1 1 1   35    3   10 o   30.709   15.517   2.6172   15.956  -3.1426   19.835   13.180   26.861  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    3   11 o  ?   ?  -20.4377   15.717 -14.7877   19.577 -30.6829   26.362  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    3   12 o  ?   ?    1.0017   13.671   7.1748   19.496  -4.9709   19.177  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    3   13 o  ?   ?  -29.8553   12.811 -32.0398   18.590 -27.8796   17.680  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    5    0 o   40.258   19.583  -2.2849   17.383  -1.7829   29.725  -2.5457   21.429   44.696   22.401   42.105   20.739 2.591267 30.52654 
1 1 1   35    5    1 f   29.557   15.032 -39.5827   16.813 -39.8927   30.422 -39.4464   20.174  ?   ?    32.629   16.582 0.000000 16.58154 
1 1 1   35    5    2 o   32.662   16.442 -24.5444   16.972   11.868   29.488 -42.5798   20.753   46.541   23.166  ?   ?  0.000000 23.16623 
1 1 1   35    5    3 o   50.864   22.939   21.776   17.092   17.463   29.999   23.848   20.797   46.682   23.258   50.274   23.592 -3.591625 33.12854 
1 1 1   35    5    4 o   55.880   25.489   39.687   21.846   33.444   30.917   45.912   30.872   48.511   24.076   51.584   25.304 -3.072266 34.92792 
1 1 1   35    5    5 o   33.222   16.656 -14.3047   16.511  -3.6600   28.951 -19.4358   20.100   39.948   20.256   34.272   17.326 5.676285 26.65525 
1 1 1   35    5    6 o   34.077   16.823  -3.9487   14.382  -3.4670   20.818  -4.3886   19.892   36.831   18.498   36.340   18.228 0.4901848 25.97011 
1 1 1   35    5    7 o   34.530   16.968   0.9126   14.073  -5.1738   19.567   7.4345   20.255   34.655   17.471   37.728   18.846 -3.072796 25.69855 
1 1 1   35    5    8 o   32.271   16.061  -1.6665   14.150  -6.2178   20.413   2.5438   19.633   33.137   16.824   34.694   17.492 -1.557034 24.26999 
1 1 1   35    5    9 o   39.758   18.887   21.188   14.099   39.811   20.169   3.3924   19.716   41.933   20.546   32.994   16.729 8.938564 26.49529 
1 1 1   35    5   10 o   31.204   15.577   5.6685   13.738   2.6586   18.584   9.2947   20.398  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    5   11 o  ?   ?    1.4569   15.682   4.6565   19.486  -4.4244   26.419  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    5   12 o   32.813   16.387   30.411   15.277   26.903   18.845   37.137   26.093  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    5   13 f  ?   ?    1.9314   13.244 -10.1541   18.631   14.275   18.829  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    7    0 o   47.008   21.821   12.873   17.018   10.278   29.267   14.199   20.918   46.830   23.272   47.666   22.745 -0.8362083 32.54123 
1 1 1   35    7    1 o   36.799   18.183 -10.0670   16.926  -1.0673   29.477 -14.4943   20.675   44.151   22.152   37.998   18.990 6.152660 29.17759 
1 1 1   35    7    2 o   40.272   19.560   0.2247   17.175   23.059   30.232 -10.6569   20.870   48.670   24.094   38.674   19.289 9.996407 30.86343 
1 1 1   35    7    3 o   40.003   19.402   1.6548   16.737   6.0537   29.312  -0.4733   20.388   43.956   22.059   40.632   20.054 3.323982 29.81198 
1 1 1   35    7    4 o   37.435   18.162  -0.2276   14.693   9.1420   21.456  -8.5011   20.162   42.771   21.004   37.457   18.724 5.314079 28.13862 
1 1 1   35    7    5 o   29.110   14.710 -23.0316   14.359 -51.6560   20.656   3.7334   19.974  ?   ?    39.611   19.604 0.000000 19.60444 
1 1 1   35    7    6 o   31.480   15.706 -10.2481   13.886  -4.2645   19.765 -16.0802   19.513   36.111   18.121   33.461   16.931 2.650166 24.79995 
1 1 1   35    7    7 o   35.079   17.153   2.9830   13.844   7.9105   19.405  -2.1256   19.758   37.548   18.706   35.157   17.703 2.390762 25.75538 
1 1 1   35    7    8 o   28.526   14.426 -14.4567   14.023   5.7452   19.951 -34.1814   19.714   35.184   17.726  ?   ?  0.000000 17.72615 
1 1 1   35    7    9 o   28.791   14.546  -8.4490   13.984 -28.2303   20.033   10.349   19.529  ?   ?    34.135   17.239 0.000000 17.23892 
1 1 1   35    7   10 o  ?   ?  -33.4705   13.701 -24.6685   19.213 -42.5760   19.542  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    7   11 o   26.975   13.709  -3.5382   13.798   15.984   19.478 -23.2038   19.549  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    7   12 o   30.459   15.366   22.640   15.274   32.557   18.936   4.1780   25.839  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    7   13 o  ?   ?   -0.6065   15.389   3.5604   18.789  -9.0976   26.822  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    9    0 o   32.481   16.356 -25.1494   16.871 -63.8049   28.184  -3.5665   21.060  ?   ?    41.041   20.279 0.000000 20.27903 
1 1 1   35    9    1 o   37.922   18.363  -2.4582   14.841   7.2985   20.751 -12.6741   21.234   44.211   21.480   38.470   19.228 5.741058 28.82876 
1 1 1   35    9    2 o   43.464   20.227   9.1617   14.772   10.572   20.951   7.7673   20.831   44.842   21.739   43.827   21.345 1.015278 30.46634 
1 1 1   35    9    3 o   40.273   19.063   5.1030   14.116   28.008   20.243 -16.5772   19.694   51.645   23.911   35.748   17.959 15.89698 29.90424 
1 1 1   35    9    4 o   58.949   23.497   30.610   14.419   37.473   20.826   24.291   19.983   54.514   24.874   48.352   22.824 6.161854 33.75907 
1 1 1   35    9    5 o   39.481   18.859   7.1038   14.461   36.134   20.394 -22.2517   20.508   51.869   24.010   33.553   17.017 18.31627 29.42874 
1 1 1   35    9    6 o   34.843   17.028   0.2070   13.588   1.4969   19.165  -1.0968   19.268   37.094   18.498   36.443   18.230 0.6509743 25.97160 
1 1 1   35    9    7 o  ?   ?  -33.8160   13.545  -7.7717   18.970 -60.9056   19.347   33.448   16.903  ?   ?  0.000000 16.90266 
1 1 1   35    9    8 o   39.572   18.871   17.572   14.352   24.416   20.077   10.420   20.523   39.463   19.553   35.878   18.063 3.584724 26.61988 
1 1 1   35    9    9 o  ?   ?  -17.0403   14.297 -10.9743   20.488 -22.7973   19.959  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    9   10 o   33.884   16.728   15.373   14.218   14.550   20.159   16.187   20.056   32.362   16.458   32.659   16.590 -0.2970009 23.36908 
1 1 1   35    9   11 o   29.398   14.811   7.7412   13.924   28.884   19.561 -13.9736   19.824   32.500   16.497  ?   ?  0.000000 16.49744 
1 1 1   35    9   12 o  ?   ?  -17.7131   13.781 -11.9261   19.707 -23.2507   19.278  ?   ?   ?   ?  0.000000      ? 
1 1 1   35    9   13 o  ?   ?   -0.7713   18.929  -0.7713   18.929   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   11    0 o   35.116   17.521 -15.3375   17.286 -13.3045   21.824 -18.7610   28.320   38.459   19.263   40.098   20.301 -1.638580 27.98532 
1 1 1   35   11    1 o   45.798   20.966   12.776   14.954   40.817   21.209 -14.9457   21.088   59.857   26.359   37.499   18.804 22.35855 32.37893 
1 1 1   35   11    2 o   36.002   17.596  -4.9487   14.517 -23.3729   20.673   12.978   20.392   35.083   17.720   45.187   21.791 -10.10430 28.08660 
1 1 1   35   11    3 o   41.836   19.504   8.6021   13.832   10.283   19.713   6.9723   19.412   43.254   20.997   42.014   20.493 1.239956 29.34006 
1 1 1   35   11    4 o   40.331   19.867   4.8363   19.677   0.0000   0.0000   4.8363   19.677  ?   ?    40.331   19.867 0.000000 19.86658 
1 1 1   35   11    5 o   35.713   17.431  -0.0914   14.108   2.0125   20.426  -2.0106   19.508   38.462   19.167   37.176   18.559 1.285667 26.67961 
1 1 1   35   11    6 o   31.338   15.639  -9.1304   13.804   6.4195   20.055 -23.1305   19.030   38.128   18.999   31.405   15.974 6.722950 24.82191 
1 1 1   35   11    7 o   47.086   21.014   25.617   13.934   14.618   19.867   36.268   19.550   38.552   19.161   46.306   22.066 -7.754360 29.22454 
1 1 1   35   11    8 o   47.076   21.182   30.983   14.478   28.957   20.337   33.066   20.616   40.114   19.841   41.183   20.296 -1.068924 28.38267 
1 1 1   35   11    9 o   49.586   21.884   40.332   14.698   40.285   20.360   40.383   21.238   40.367   19.945   39.693   19.742 0.6745377 28.06308 
1 1 1   35   11   10 o   29.674   14.943   2.7097   14.083  -8.0549   19.782   13.773   20.055  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   11   11 o   26.456   13.455  -3.5548   13.478   15.293   18.258 -26.1283   19.981  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   11   12 o  ?   ?    0.7598   16.505  -4.1065   20.278   10.312   28.411  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   13    0 o   45.536   21.028   12.914   15.504   28.590   22.054  -2.4031   21.801   51.738   24.284   40.705   20.204 11.03291 31.59026 
1 1 1   35   13    1 o   51.735   22.534   21.860   15.127   40.915   21.149   1.8998   21.646   58.826   26.092   41.610   20.560 17.21600 33.21900 
1 1 1   35   13    2 o   50.046   21.834   19.811   14.255   2.9048   20.258   36.395   20.063   41.054   20.210   56.266   25.155 -15.21156 32.26772 
1 1 1   35   13    3 o   41.368   19.394   8.5923   13.995  -3.1632   20.351   19.141   19.277   38.633   19.232   46.274   22.012 -7.641556 29.23030 
1 1 1   35   13    4 o   46.285   20.846   17.658   14.060   30.314   20.607   6.6349   19.231   49.272   23.234   40.304   19.811 8.968269 30.53380 
1 1 1   35   13    5 o   33.145   16.363  -5.0305   13.606 -17.2778   19.447   6.7144   19.044   33.307   16.859   39.065   19.299 -5.757294 25.62549 
1 1 1   35   13    6 o   38.517   18.463   9.7184   14.127   2.8477   20.282   16.193   19.688   36.764   18.436   40.408   19.898 -3.643269 27.12619 
1 1 1   35   13    7 o   40.496   19.489   18.932   16.109  -0.9810   28.707   28.084   19.462  ?   ?    42.305   20.610 0.000000 20.60965 
1 1 1   35   13    8 o   35.910   17.584   11.862   14.700   12.073   20.666   11.646   20.913   35.300   17.816   35.197   17.783 0.1020508 25.17234 
1 1 1   35   13    9 o   37.157   18.038   20.207   14.554   13.226   20.153   27.817   21.041   33.490   16.973   36.181   18.225 -2.690956 24.90487 
1 1 1   35   13   10 o  ?   ?  -32.6672   13.961 -50.2876   19.529 -14.2458   19.967  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   13   11 o  ?   ?   -6.3291   15.173 -11.2252   17.984   5.7659   28.266  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   13   12 o  ?   ?    17.501   16.007   20.477   19.251   10.834   28.815  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   15    0 o   47.541   21.685   17.339   15.812   28.868   21.857   4.6814   22.903   50.922   23.987   42.263   20.930 8.659542 31.83485 
1 1 1   35   15    1 o   61.891   24.528   34.672   15.627   76.156   22.396  -4.6930   21.816   82.766   30.145   39.304   19.622 43.46183 35.96904 
1 1 1   35   15    2 o   30.617   15.368 -18.5425   14.264   0.2254   20.671 -35.6017   19.708   39.774   19.731  ?   ?  0.000000 19.73067 
1 1 1   35   15    3 o   31.501   15.725 -13.4518   13.996 -20.5022   20.433  -7.2199   19.211   34.266   17.337   36.612   18.298 -2.345478 25.20676 
1 1 1   35   15    4 o   37.587   18.061   4.2706   13.698   17.773   20.329  -6.9565   18.537   43.382   21.119   35.623   17.829 7.758327 27.63857 
1 1 1   35   15    5 o   38.404   18.362   7.9341   13.778   20.838   20.207  -3.2786   18.836   42.906   20.924   35.697   17.882 7.209225 27.52390 
1 1 1   35   15    6 o   31.716   15.833  -6.6057   14.193 -29.8767   20.066   16.692   20.078  ?   ?    39.785   19.684 0.000000 19.68411 
1 1 1   35   15    7 o   29.597   14.922 -10.8997   14.284 -26.5852   19.805   6.1054   20.621  ?   ?    35.362   17.841 0.000000 17.84118 
1 1 1   35   15    8 o   29.086   14.705  -9.0514   14.504 -12.4164   20.157  -5.4382   20.887  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   15    9 o  ?   ?  -13.7866   14.409  -4.2564   20.016 -24.0378   20.760  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   15   10 o   29.485   14.951   4.5101   15.770   8.7586   19.214  -4.2600   27.606  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   15   11 o  ?   ?   -7.2611   15.801  -1.3541   24.390 -11.5338   20.744  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   15   12 o  ?   ?    6.9008   13.607   21.075   18.499  -9.8043   20.083  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   17    0 o   63.994   25.784   42.241   17.560   30.042   21.317   68.000   30.975   50.614   23.794   57.141   27.377 -6.526779 36.27230 
1 1 1   35   17    1 o   29.467   14.877 -23.4766   14.483 -21.7913   20.858 -25.0457   20.126   34.611   17.512   33.565   17.006 1.045376 24.41044 
1 1 1   35   17    2 o   39.773   19.017   6.3251   14.779  -8.4402   21.454   19.661   20.389   37.261   18.722   45.430   21.879 -8.169109 28.79614 
1 1 1   35   17    3 o   32.417   16.087  -8.9629   13.792  -7.4554   20.208 -10.2776   18.871   36.406   18.276   35.169   17.656 1.236889 25.41213 
1 1 1   35   17    4 o   55.284   22.656   29.776   13.831   39.275   20.099   21.231   19.063   51.909   23.960   44.164   21.242 7.745010 32.02062 
1 1 1   35   17    5 o   35.240   17.171   2.5262   13.531 -16.8710   19.426   20.804   18.857   32.516   16.499   42.454   20.592 -9.938389 26.38603 
1 1 1   35   17    6 o   41.681   19.484   17.916   13.952   38.413   20.260  -0.5715   19.241   46.333   22.184   34.661   17.456 11.67191 28.22810 
1 1 1   35   17    7 o   27.767   14.102 -17.8007   14.432   11.461   19.924 -50.1013   20.933   35.877   18.029  ?   ?  0.000000 18.02878 
1 1 1   35   17    8 o   36.380   18.044   19.041   17.266   20.029   29.553   18.529   21.275  ?   ?    35.233   17.813 0.000000 17.81304 
1 1 1   35   17    9 o   31.648   15.951   8.3125   16.246   18.568   19.655 -13.8049   28.864   33.394   16.907  ?   ?  0.000000 16.90741 
1 1 1   35   17   10 o   27.468   13.928  -1.5522   13.690  -0.0922   19.154  -3.0771   19.575  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   17   11 o  ?   ?   -9.3243   15.930  -3.3542   18.898 -23.9805   29.610  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   17   12 o  ?   ?  -11.0623   13.051  -4.4968   17.825 -18.6487   19.161  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   19    0 o   45.410   21.435   17.957   17.621   17.468   21.592   18.932   30.490   44.341   21.625   43.821   22.056 0.5201530 30.88866 
1 1 1   35   19    1 o   30.274   15.232 -18.8650   14.465  -0.9307   20.709 -35.9503   20.213   38.556   19.227  ?   ?  0.000000 19.22732 
1 1 1   35   19    2 o   54.749   22.948   29.193   14.638   10.155   20.726   48.137   20.676   41.147   20.292   58.353   25.844 -17.20510 32.85834 
1 1 1   35   19    3 o   31.533   15.725 -10.5293   13.857   21.530   19.872 -40.8692   19.332   44.261   21.386  ?   ?  0.000000 21.38561 
1 1 1   35   19    4 o   59.818   23.504   36.382   14.235   34.796   20.572   37.839   19.718   47.796   22.737   50.134   23.344 -2.338444 32.58690 
1 1 1   35   19    5 o   31.417   15.672  -6.8402   13.800   21.490   19.730 -33.9754   19.310   41.390   20.289  ?   ?  0.000000 20.28865 
1 1 1   35   19    6 o   45.628   20.703   25.865   14.173   34.907   20.413   17.451   19.693   43.571   21.200   38.406   19.087 5.164402 28.52640 
1 1 1   35   19    7 o   31.105   15.614  -2.6271   14.724 -15.2446   19.673   13.440   22.200  ?   ?    35.367   17.913 0.000000 17.91290 
1 1 1   35   19    8 o  ?   ?  -13.8670   16.263 -33.8805   19.364   34.029   29.957  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   19    9 o  ?   ?  -14.7125   13.867 -28.6075   18.603   2.6665   20.805  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   19   10 o   31.491   15.835   18.081   15.514   23.576   25.429   14.823   19.580  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   19   11 o  ?   ?    2.8962   13.806   8.4160   19.699  -2.4332   19.356  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   21    0 o   39.579   19.385   6.4582   17.899   9.8402   21.816  -0.5083   31.311   40.965   20.312  ?   ?  0.000000 20.31244 
1 1 1   35   21    1 o   34.544   17.024  -3.6091   14.505   9.9871   20.410 -17.4851   20.619   40.684   20.077   34.182   17.307 6.501801 26.50699 
1 1 1   35   21    2 o   61.749   23.500   35.615   13.903   19.119   19.597   52.334   19.729   43.263   20.986   61.222   26.189 -17.95900 33.55960 
1 1 1   35   21    3 o   37.028   17.889   5.2770   13.896   16.714   19.516  -6.4841   19.791   41.502   20.309   35.163   17.708 6.338474 26.94456 
1 1 1   35   21    4 o   33.251   16.423  -2.0152   13.759   2.2060   19.448  -6.2451   19.468   36.267   18.168   34.340   17.327 1.926815 25.10534 
1 1 1   35   21    5 o   32.991   16.315  -0.4162   13.735   3.5669   20.412  -3.7116   18.567   35.610   17.940   33.677   16.983 1.933392 24.70352 
1 1 1   35   21    6 o   31.062   15.721  -8.5321   16.903  -6.7550   20.276 -12.5805   30.603   32.420   16.490  ?   ?  0.000000 16.48963 
1 1 1   35   21    7 o   31.578   16.056  -2.8318   19.117  -2.8318   19.117   0.0000   0.0000   31.578   16.056  ?   ?  0.000000 16.05647 
1 1 1   35   21    8 o   31.804   16.020   6.9818   16.238   1.6478   25.485   10.627   21.068  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   21    9 o  ?   ?  -17.6243   16.025 -67.9024   25.991   13.207   20.353  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   21   10 o  ?   ?  -12.9766   18.690 -29.5805   24.729   9.1463   28.544  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   21   11 o  ?   ?  -28.5086   14.560 -34.4634   24.176 -25.1192   18.239  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   23    0 o   38.456   18.970   5.7104   18.160   3.4465   22.621   9.8146   30.458   38.476   19.319   40.086   20.371 -1.609501 28.07495 
1 1 1   35   23    1 o   31.646   15.823 -10.5570   14.436 -20.1659   20.193  -0.5115   20.647   32.853   16.685   36.998   18.560 -4.145309 24.95738 
1 1 1   35   23    2 o   37.646   18.138   6.9055   14.049   7.7243   19.388   6.0003   20.384   38.461   19.084   38.075   19.002 0.3862801 26.93088 
1 1 1   35   23    3 o   34.986   17.165   2.0039   14.227 -21.6869   19.964   26.449   20.279  ?   ?    43.418   21.127 0.000000 21.12655 
1 1 1   35   23    4 o   40.689   19.262   16.382   14.420   44.572   20.845  -9.4848   19.968   48.536   23.029   33.152   16.812 15.38383 28.51289 
1 1 1   35   23    5 f   33.977   16.998   2.2587   16.773   7.8173   20.702  -8.3610   28.614   35.667   17.980  ?   ?  0.000000 17.98016 
1 1 1   35   23    6 o   33.883   16.962   6.3752   16.827  -1.5271   20.445   22.966   29.624   32.616   16.586  ?   ?  0.000000 16.58606 
1 1 1   35   23    7 o   34.789   17.127   13.409   14.555   37.851   21.058  -8.9471   20.140   38.935   19.412  ?   ?  0.000000 19.41213 
1 1 1   35   23    8 o   30.675   15.487   5.2459   15.696 -21.6390   24.204   24.757   20.620  ?   ?    34.003   17.226 0.000000 17.22630 
1 1 1   35   23    9 o  ?   ?    18.753   18.973   31.717   24.832   0.5678   29.410  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   23   10 o  ?   ?  -10.7282   15.593 -64.4390   25.481   21.427   19.716  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   23   11 o  ?   ?    4.2176   18.420   0.0000   0.0000   4.2176   18.420  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   25    0 o   45.859   21.562   26.412   17.517   27.286   21.183   24.522   31.152   43.938   21.426   40.879   20.758 3.058327 29.83216 
1 1 1   35   25    1 o   42.888   20.484   20.441   17.047  -3.6874   21.320   63.220   28.387   35.578   17.973   49.260   24.185 -13.68218 30.13208 
1 1 1   35   25    2 o   39.114   18.750   11.958   14.573   28.529   20.501  -4.9654   20.718   43.635   21.235   34.768   17.578 8.867817 27.56616 
1 1 1   35   25    3 o   31.590   15.763  -5.4997   14.009 -23.6306   20.197   11.312   19.448  ?   ?    37.678   18.764 0.000000 18.76433 
1 1 1   35   25    4 o   31.998   16.112  -5.6100   16.363  -0.0512   19.600 -18.3951   29.724   34.103   17.228  ?   ?  0.000000 17.22836 
1 1 1   35   25    5 o   32.194   16.257  -2.3674   17.344 -13.3259   21.105   20.424   30.437  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   25    6 o   35.089   17.196   12.250   14.149   18.892   20.393   6.0842   19.649   35.592   17.931   33.079   16.764 2.513256 24.54701 
1 1 1   35   25    7 o   37.244   18.241   24.580   15.849   24.522   25.846   24.616   20.064  ?   ?    35.123   17.705 0.000000 17.70537 
1 1 1   35   25    8 o   38.895   18.903   35.812   16.107   54.683   25.321   22.986   20.874  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   25    9 o  ?   ?    7.4732   25.412   7.4732   25.412   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   25   10 o  ?   ?  -15.1157   19.486   0.0000   0.0000 -15.1157   19.486  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   27    0 o   37.538   18.341   9.3231   15.736   28.057   21.665 -11.5978   22.895   42.405   20.880  ?   ?  0.000000 20.87969 
1 1 1   35   27    1 o   31.689   16.025 -11.9661   17.310 -38.4989   21.711   34.317   28.675  ?   ?    41.035   20.741 0.000000 20.74064 
1 1 1   35   27    2 o   38.886   19.039   15.458   17.226   22.182   20.946   1.4102   30.277   39.988   19.841  ?   ?  0.000000 19.84088 
1 1 1   35   27    3 o   38.809   18.961   17.139   16.815   31.500   20.144 -15.8585   30.534   42.238   20.661  ?   ?  0.000000 20.66107 
1 1 1   35   27    4 o   46.027   21.062   31.231   15.069   38.072   21.228   24.282   21.394   42.130   20.730   38.306   19.169 3.824203 28.23451 
1 1 1   35   27    5 o   45.389   20.757   32.027   14.604   30.195   21.215   33.676   20.134   38.317   19.162   39.852   19.716 -1.534527 27.49402 
1 1 1   35   27    6 o   33.838   16.687   11.433   14.015  -5.0257   19.967   27.415   19.676  ?   ?    36.608   18.329 0.000000 18.32880 
1 1 1   35   27    7 o   29.655   15.002   1.3884   15.272   7.0439   23.997  -2.4618   19.800  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   27    8 o   29.265   14.863   5.7565   16.034 -21.0781   25.133   24.174   20.822  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   27    9 o   33.516   16.983   47.156   20.098   0.0000   0.0000   47.156   20.098  ?   ?    33.516   16.983 0.000000 16.98250 
1 1 1   35   27   10 f   27.684   14.005   14.663   13.299   2.1837   18.482   28.064   19.152  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   29    0 o  ?   ?  -28.6085   15.368 -46.0387   21.571 -10.6430   21.900  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   29    1 o   34.812   17.659   2.1317   22.159   2.1317   22.159   0.0000   0.0000   34.812   17.659  ?   ?  0.000000 17.65931 
1 1 1   35   29    2 f   35.988   17.914   10.369   17.642   0.5750   21.113   33.024   32.111   33.985   17.240  ?   ?  0.000000 17.23983 
1 1 1   35   29    3 o   28.782   14.577 -12.7092   14.677  -1.2959   20.802 -24.0219   20.710   33.008   16.780  ?   ?  0.000000 16.78011 
1 1 1   35   29    4 o   42.830   19.994   27.866   14.612   19.644   21.322   35.147   20.063   35.992   18.157   40.409   19.934 -4.416813 26.96396 
1 1 1   35   29    5 o   28.118   14.254  -9.5530   14.278   6.9228   20.704 -24.4942   19.716  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   29    6 o   29.792   15.016   1.0602   14.408   5.9462   20.732  -3.5031   20.036  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   29    7 o   28.849   14.665   0.9059   15.859   5.4585   24.335  -2.4551   20.909  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   29    8 o  ?   ?    16.388   19.932   0.0000   0.0000   16.388   19.932  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   29    9 o   28.674   14.420   13.461   12.878   21.373   17.578   4.2922   18.922  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   31    0 o   34.359   17.208   6.0237   17.404  -5.6586   21.538   28.005   29.544  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   31    1 o   36.024   18.168   14.874   21.260   14.874   21.260   0.0000   0.0000   36.024   18.168  ?   ?  0.000000 18.16768 
1 1 1   35   31    2 o   31.334   15.733  -1.6184   15.003  -1.7528   20.650  -1.4681   21.836  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   31    3 o   29.939   15.132  -5.6747   15.258 -31.7815   21.743   19.655   21.417  ?   ?    35.694   18.029 0.000000 18.02938 
1 1 1   35   31    4 o   33.276   16.495   9.3564   14.347  -5.4665   21.596   21.067   19.196  ?   ?    35.533   17.835 0.000000 17.83475 
1 1 1   35   31    5 o   34.425   16.893   15.073   13.795   29.729   20.090   1.9965   18.976   35.862   18.031  ?   ?  0.000000 18.03132 
1 1 1   35   31    6 o   29.010   14.660   1.2979   14.260  -9.8165   20.951   10.891   19.465  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   31    7 o  ?   ?  -20.6537   26.163   0.0000   0.0000 -20.6537   26.163  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   31    8 o  ?   ?    4.4366   15.009 -35.4098   24.908   27.152   18.806  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   31    9 o  ?   ?   -3.4970   12.841   2.7358   17.397 -10.9575   19.033  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   33    0 o   37.809   19.007   30.136   22.265   30.136   22.265   0.0000   0.0000   37.809   19.007  ?   ?  0.000000 19.00673 
1 1 1   35   33    1 o   33.093   16.458   6.6080   14.750   1.9146   21.677   10.655   20.129  ?   ?    34.010   17.208 0.000000 17.20752 
1 1 1   35   33    2 o   35.083   17.533   16.029   17.633   36.579   22.455 -17.0195   28.477   38.160   19.171  ?   ?  0.000000 19.17136 
1 1 1   35   33    3 o   34.797   17.140   14.729   14.641   12.414   21.557   16.713   19.949  ?   ?    34.061   17.223 0.000000 17.22312 
1 1 1   35   33    4 o  ?   ?  -15.9443   14.732  -5.3227   21.932 -24.6773   19.887  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   33    5 o  ?   ?  -12.2041   13.976 -15.2286   20.271  -9.4635   19.296  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   33    6 o   32.113   16.296   23.733   18.989   0.0000   0.0000   23.733   18.989  ?   ?    32.113   16.296 0.000000 16.29631 
1 1 1   35   33    7 o   30.720   15.514   20.029   15.813   20.590   28.003   19.767   19.160  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   33    8 o  ?   ?   -4.0051   14.904  -7.6878   25.273  -2.0415   18.455  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   35    0 o   29.318   14.869  -5.7545   15.661   8.1715   23.136 -17.5318   21.276  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   35    1 o   37.840   18.379   23.611   15.160   8.9490   22.387   36.027   20.601  ?   ?    37.945   18.962 0.000000 18.96202 
1 1 1   35   35    2 o   34.742   17.339   19.102   16.973   30.288   21.531   0.7371   27.588   35.618   18.000  ?   ?  0.000000 18.00001 
1 1 1   35   35    3 o   33.473   16.605   14.650   14.647  -0.1473   21.459   27.557   20.041  ?   ?    34.831   17.575 0.000000 17.57525 
1 1 1   35   35    4 o  ?   ?   -7.8612   14.332 -22.8497   21.292   4.5548   19.379  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   35    5 o   35.206   17.466   30.182   16.206   58.439   31.173   19.717   18.971  ?   ?    31.425   15.980 0.000000 15.98031 
1 1 1   35   35    6 o   28.024   14.182   5.6503   13.728  -8.1295   20.520   16.815   18.471  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   35    7 f  ?   ?    15.851   16.012   34.273   27.867   6.7714   19.564  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   37    0 o   28.995   14.719  -2.7670   15.581   22.865   22.292 -27.2493   21.786  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   37    1 f  ?   ?   -4.3900   17.413  -2.2044   29.884  -5.5135   21.425  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   37    2 o   30.211   15.336   5.2203   16.921   27.583   21.176 -34.2829   28.144   33.643   17.086  ?   ?  0.000000 17.08627 
1 1 1   35   37    3 o   28.646   14.537   0.8756   15.111   5.5889   21.827  -3.4626   20.941  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   37    4 o   29.064   14.769   6.3172   15.989   83.024   31.186 -21.0343   18.622  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   37    5 o  ?   ?   -1.8133   14.410   47.119   21.418 -42.2839   19.478  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   37    6 o   27.631   14.020   9.6079   14.027   41.195   20.886 -16.3485   18.933  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   39    0 o   29.257   14.824   3.9627   15.305  -0.2393   21.680   8.1373   21.609  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   39    1 o  ?   ?  -11.3273   14.720  -6.5801   20.182 -16.7230   21.516  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   39    2 o  ?   ?   -0.3839   16.383  -1.9293   27.960   0.4240   20.217  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   39    3 o  ?   ?   -0.6477   19.390   29.517   28.008 -28.4146   26.872  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   39    4 o  ?   ?  -16.6669   16.825 -30.0927   31.333 -11.2272   19.944  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   39    5 o  ?   ?   -8.9624   14.555 -26.6840   21.428   6.2161   19.831  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   41    0 o  ?   ?   -5.4063   14.296   4.8782   20.608 -14.9474   19.849  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   41    1 o  ?   ?   -9.7683   16.350 -13.7122   28.473  -7.8281   19.971  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   41    2 o  ?   ?   -6.8107   16.256 -33.0293   28.111   6.3609   19.925  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   41    3 o  ?   ?    11.880   16.509   16.494   20.916   4.2546   26.890  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   41    4 o  ?   ?    21.900   16.376   37.789   20.885  -3.4580   26.385  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   43    0 o  ?   ?    1.9753   15.644   20.732   28.429  -6.1710   18.736  ?   ?   ?   ?  0.000000      ? 
1 1 1   35   43    1 o  ?   ?   -1.2583   16.088 -35.9024   27.373   17.024   19.885  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    0    0 o   46.436   29.569   3.6824   20.916   3.6824   20.916   3.6824   20.916   46.436   29.569   46.436   29.569 0.000000 0.000000 
1 1 1   36    0    1 o   28.227   20.382 -36.7293   20.453 -36.7293   20.453 -36.7293   20.453   28.227   20.382   28.227   20.382 0.000000 0.000000 
1 1 1   36    0    2 o   23.668   17.453 -63.1645   20.995 -63.1645   20.995 -63.1645   20.995   23.668   17.453   23.668   17.453 0.000000 0.000000 
1 1 1   36    0    4 o   40.424   27.115  -6.0503   21.293  -6.0503   21.293  -6.0503   21.293   40.424   27.115   40.424   27.115 0.000000 0.000000 
1 1 1   36    0    6 o   43.120   28.145   0.3936   20.549   0.3936   20.549   0.3936   20.549   43.120   28.145   43.120   28.145 0.000000 0.000000 
1 1 1   36    0    7 f   52.034   31.540   12.108   21.026   12.108   21.026   12.108   21.026   52.034   31.540   52.034   31.540 0.000000 0.000000 
1 1 1   36    0    8 o   37.046   25.312  -9.0408   20.347  -9.0408   20.347  -9.0408   20.347   37.046   25.312   37.046   25.312 0.000000 0.000000 
1 1 1   36    0    9 o   42.577   27.671   2.7021   19.562   2.7021   19.562   2.7021   19.562   42.577   27.671   42.577   27.671 0.000000 0.000000 
1 1 1   36    0   10 o   43.422   28.384   3.2484   21.017   3.2484   21.017   3.2484   21.017   43.422   28.384   43.422   28.384 0.000000 0.000000 
1 1 1   36    0   11 o   58.530   32.383   22.576   19.202   22.576   19.202   22.576   19.202   58.530   32.383   58.530   32.383 0.000000 0.000000 
1 1 1   36    0   12 o   30.234   21.441 -17.1106   18.826 -17.1106   18.826 -17.1106   18.826   30.234   21.441   30.234   21.441 0.000000 0.000000 
1 1 1   36    2    0 o   41.124   19.465   11.999   14.717  -6.0804   20.626   30.750   21.006   36.132   18.180   47.198   22.595 -11.06610 29.00135 
1 1 1   36    2    1 o   35.481   17.424  -0.0025   14.763   11.092   20.847 -11.1645   20.910   40.178   19.910   34.964   17.675 5.214272 26.62412 
1 1 1   36    2    2 o   43.671   21.303   24.546   20.991   47.083   29.665   1.9473   29.706   45.798   22.867  ?   ?  0.000000 22.86662 
1 1 1   36    2    3 o   35.260   17.808  -4.1957   20.862  -4.1957   20.862   0.0000   0.0000   35.260   17.808  ?   ?  0.000000 17.80846 
1 1 1   36    2    4 o  ?   ?    6.1317   28.033   0.0000   0.0000   6.1317   28.033  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    2    5 f   35.759   17.749   8.7177   16.820   10.219   20.734   5.8293   28.763   36.081   18.164  ?   ?  0.000000 18.16435 
1 1 1   36    2    6 o   30.623   15.518  -6.8331   16.810   0.3965   21.266 -18.8732   27.444  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    2    7 o  ?   ?  -16.5264   14.407   14.351   20.573 -46.2443   20.183   33.609   17.046  ?   ?  0.000000 17.04553 
1 1 1   36    2    8 o   30.539   15.329   6.4941   14.192   24.575   20.686  -9.5840   19.506   33.375   16.944  ?   ?  0.000000 16.94404 
1 1 1   36    2    9 o   32.295   16.077   18.997   14.223   1.9593   19.601   37.945   20.671  ?   ?    33.285   16.902 0.000000 16.90207 
1 1 1   36    2   10 o   29.494   14.864   16.897   14.090   25.602   19.471   7.3278   20.414  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    2   11 o  ?   ?  -13.3737   13.719 -10.2654   19.479 -16.4330   19.325  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    2   12 o  ?   ?   -6.4597   13.069   12.242   18.822 -23.8707   18.160  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    4    0 o   35.949   17.570   1.2544   14.476   2.2051   20.507   0.3102   20.437   37.915   18.943   37.432   18.732 0.4834213 26.64076 
1 1 1   36    4    1 o   61.296   25.092   44.699   16.941   33.907   20.877   65.512   28.992   47.932   22.830   51.643   25.158 -3.711346 33.97284 
1 1 1   36    4    2 o   65.249   25.883   51.848   17.416   58.272   21.582   39.854   29.490   58.367   26.092   44.180   22.165 14.18686 34.23600 
1 1 1   36    4    3 o   39.913   19.400   14.191   16.977   4.7763   20.897   32.463   29.113   37.062   18.603   41.765   21.087 -4.703892 28.12008 
1 1 1   36    4    4 o   44.907   21.092   27.670   16.687   29.786   20.594   23.624   28.473   42.817   20.933   39.088   19.848 3.728508 28.84666 
1 1 1   36    4    5 o   39.857   19.307   20.354   16.447   28.117   20.260   5.3463   28.169   40.626   20.040  ?   ?  0.000000 20.03988 
1 1 1   36    4    6 o   30.524   15.449  -6.1132   16.327 -20.1719   20.117   21.020   27.947  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    4    7 o   30.268   15.353  -1.8962   16.728   5.5351   20.781 -15.5756   28.195  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    4    8 o   34.315   17.123   22.431   16.532   20.259   20.812   26.146   27.214  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    4    9 o   29.844   15.016   10.775   14.063   4.1332   19.339   18.228   20.487  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    4   10 o   29.493   14.864   17.329   14.096   12.903   19.901   21.784   19.968  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    4   11 o   27.602   14.005   19.028   14.000  -2.4495   20.026   39.559   19.579  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    4   12 o  ?   ?    4.4664   13.260   12.903   18.688  -4.0875   18.817  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    6    0 o   37.895   18.391   5.9675   15.102   21.041   21.108  -9.8372   21.614   43.039   21.073   35.380   17.893 7.658329 27.64507 
1 1 1   36    6    1 o   36.304   17.987   0.9873   16.982  -2.6769   20.828   8.2537   29.330   36.383   18.302   39.326   19.986 -2.943642 27.09955 
1 1 1   36    6    2 o   41.887   20.113   17.326   16.924   33.915   21.145 -12.2341   28.227   46.447   22.348  ?   ?  0.000000 22.34756 
1 1 1   36    6    3 o   45.380   21.243   26.269   16.687   35.296   20.637   9.2244   28.359   46.085   22.150  ?   ?  0.000000 22.15036 
1 1 1   36    6    4 o  ?   ?  -22.6716   16.741  -8.8947   20.767 -48.2390   28.291   33.221   16.877  ?   ?  0.000000 16.87663 
1 1 1   36    6    5 o   42.115   20.167   26.689   16.756  -1.5503   20.935   77.024   27.950   33.486   17.005   47.238   23.345 -13.75240 28.88159 
1 1 1   36    6    6 f   37.413   18.335   19.016   16.080   10.315   19.963   35.098   27.138   34.259   17.315  ?   ?  0.000000 17.31499 
1 1 1   36    6    7 o   30.182   15.285  -0.9553   16.126   6.9504   19.727 -16.8780   27.996   32.021   16.284  ?   ?  0.000000 16.28448 
1 1 1   36    6    8 o   29.400   14.938   2.1903   16.326 -14.8771   20.173   34.585   27.793  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    6    9 o  ?   ?   -7.2796   16.841  -8.0533   20.759  -5.7902   28.802  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    6   10 o  ?   ?   -1.5831   15.929  -3.2429   19.168   2.1224   28.640  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    6   11 o  ?   ?    6.5078   14.039   21.606   19.722  -9.0025   19.990  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    6   12 o  ?   ?   -1.7662   13.415 -20.4310   19.633   14.578   18.372  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    8    0 o   38.143   18.505   7.1833   15.255   10.187   20.994   3.8226   22.205   39.459   19.626   38.007   19.091 1.451271 27.37927 
1 1 1   36    8    1 o   32.681   16.453 -11.4360   17.010  -4.5294   21.266 -23.7024   28.341   35.824   18.079  ?   ?  0.000000 18.07931 
1 1 1   36    8    2 o   38.022   18.675   8.4708   16.985   22.650   21.425 -15.5122   27.864   41.963   20.682  ?   ?  0.000000 20.68205 
1 1 1   36    8    3 o  ?   ?  -29.7533   16.298 -46.0863   20.266   0.1486   27.421  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    8    4 o   30.372   15.296 -10.0003   14.782 -20.3230   20.682   0.7794   21.135  ?   ?    34.781   17.601 0.000000 17.60136 
1 1 1   36    8    5 o   27.777   14.101 -16.9468   14.303   4.1473   20.161 -38.3232   20.296   34.168   17.280  ?   ?  0.000000 17.28012 
1 1 1   36    8    6 o   40.905   19.351   25.059   14.507   40.191   20.700   10.451   20.338   40.951   20.211   33.976   17.201 6.975426 26.53970 
1 1 1   36    8    7 o   38.740   18.604   25.477   14.491   20.707   19.953   30.799   21.078   34.265   17.317   35.947   18.124 -1.682415 25.06730 
1 1 1   36    8    8 o  ?   ?   -6.5180   14.409 -28.4111   19.622   19.107   21.228  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    8    9 o  ?   ?    8.9355   16.740   17.604   20.236  -9.8537   29.793  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    8   10 o  ?   ?   -0.2071   16.090  -5.9262   19.530   11.878   28.390  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    8   11 o  ?   ?  -42.0266   15.835 -43.5187   19.051 -38.6927   28.477  ?   ?   ?   ?  0.000000      ? 
1 1 1   36    8   12 o  ?   ?    37.655   16.219   43.418   19.774   25.805   28.354  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   10    0 o   29.695   15.037 -20.2278   15.585   0.0286   21.675 -41.9136   22.427   36.718   18.496  ?   ?  0.000000 18.49627 
1 1 1   36   10    1 o   34.095   17.038  -4.1283   16.630   1.0675   20.521 -14.0683   28.383   36.490   18.332  ?   ?  0.000000 18.33168 
1 1 1   36   10    2 o   38.046   18.660   9.6978   16.761   3.0379   21.253   20.654   27.259   36.545   18.397   39.841   20.144 -3.295650 27.28095 
1 1 1   36   10    3 o   37.777   18.538   11.116   16.615   10.272   20.928   12.556   27.325   37.359   18.733   37.641   19.145 -0.2820129 26.78541 
1 1 1   36   10    4 o   40.072   19.115   17.948   14.750   27.832   20.914   8.1655   20.806   40.682   20.121   35.843   18.064 4.839146 27.04018 
1 1 1   36   10    5 o  ?   ?  -23.5859   14.155 -28.7213   20.073 -18.5063   19.964  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   10    6 o   32.662   16.407   6.0051   16.420   10.078   29.572   4.1896   19.743  ?   ?    32.456   16.485 0.000000 16.48470 
1 1 1   36   10    7 o   29.440   14.851  -0.3522   14.249   14.942   19.898 -16.4522   20.415   32.782   16.640  ?   ?  0.000000 16.64039 
1 1 1   36   10    8 o   30.825   15.460   10.542   14.291   22.127   19.995  -1.5564   20.432  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   10    9 o   28.821   14.580   9.6870   14.417   24.230   20.389  -4.8573   20.389  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   10   10 f  ?   ?    4.8113   19.369   4.8113   19.369   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   10   11 o  ?   ?  -17.4676   18.911 -17.4676   18.911   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   10   12 o  ?   ?  -21.3218   15.826 -37.2941   19.453   9.9463   27.218  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   12    0 o   38.914   18.787   10.980   15.262 -10.6027   21.503   32.887   21.664   34.217   17.362   44.983   21.876 -10.76570 27.92840 
1 1 1   36   12    1 o   35.374   17.596   1.4032   16.897  -0.7446   21.516   4.8595   27.294   35.828   18.094  ?   ?  0.000000 18.09417 
1 1 1   36   12    2 o   39.467   19.205   14.887   16.764   43.819   21.156 -33.9317   27.482   48.265   22.987  ?   ?  0.000000 22.98717 
1 1 1   36   12    3 o   38.993   18.706   14.376   14.563   8.9241   21.042   19.389   20.175   36.542   18.384   39.225   19.464 -2.682621 26.77308 
1 1 1   36   12    4 o   36.247   17.633   10.429   14.104   17.526   20.690   4.2681   19.278   37.428   18.748   34.461   17.370 2.967529 25.55749 
1 1 1   36   12    5 f  ?   ?  -33.2475   14.477 -25.6925   20.365 -40.9669   20.585  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   12    6 o   33.658   16.883   11.708   17.065   7.0873   20.281   22.912   31.583   32.555   16.552  ?   ?  0.000000 16.55184 
1 1 1   36   12    7 o   29.540   14.891   1.3936   14.194 -19.1258   20.042   22.042   20.105  ?   ?    33.573   17.009 0.000000 17.00881 
1 1 1   36   12    8 f   28.374   14.394   1.9625   14.721 -41.9035   20.910   45.066   20.728  ?   ?    35.491   17.904 0.000000 17.90402 
1 1 1   36   12    9 o   28.536   14.464   10.132   14.658   0.9626   20.596   19.542   20.865  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   12   10 o  ?   ?  -24.7548   14.990 -23.5285   18.003 -27.5268   27.066  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   12   11 o  ?   ?    11.885   13.630   27.214   18.460  -6.4861   20.209  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   12   12 o  ?   ?  -22.1887   16.043 -10.5723   19.199 -49.0732   29.208  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   14    0 o   32.400   16.217  -6.1003   15.348   35.240   21.736 -47.2091   21.675   44.800   21.815  ?   ?  0.000000 21.81523 
1 1 1   36   14    1 o   36.571   18.134   6.8545   17.392   12.144   21.913  -2.1498   28.590   37.983   19.063  ?   ?  0.000000 19.06315 
1 1 1   36   14    2 o   40.566   19.519   18.626   16.133   28.122   20.653   3.7595   25.842   41.906   20.585  ?   ?  0.000000 20.58530 
1 1 1   36   14    3 o   28.557   14.464 -15.7944   14.480 -40.3899   20.772   7.4547   20.195  ?   ?    35.627   17.934 0.000000 17.93439 
1 1 1   36   14    4 o   36.402   17.686   12.064   14.069   20.031   20.501   4.9712   19.343   37.406   18.725   34.095   17.211 3.310608 25.43364 
1 1 1   36   14    5 o   30.552   15.325  -1.6336   14.062 -22.2456   19.694   19.805   20.085  ?   ?    36.017   18.099 0.000000 18.09907 
1 1 1   36   14    6 o   33.943   16.785   12.968   14.525   26.653   20.382  -1.1532   20.704   35.719   17.986  ?   ?  0.000000 17.98580 
1 1 1   36   14    7 o   34.956   17.425   25.246   16.930   52.537   28.206   9.8771   21.167  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   14    8 o  ?   ?  -20.7106   16.878 -14.7690   20.666 -32.6098   29.246  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   14    9 o   31.205   15.759   26.774   16.310   35.046   20.127   10.951   27.837  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   14   10 o  ?   ?  -22.7641   13.468 -31.1840   18.347 -12.9246   19.833  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   14   11 o  ?   ?  -24.0708   13.705 -28.7347   18.303 -18.1174   20.679  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   16    0 o   39.317   18.923   14.781   15.190   15.595   21.260   13.933   21.711   38.387   19.195   37.950   19.037 0.4369926 27.03433 
1 1 1   36   16    1 o   37.931   18.666   13.137   17.233   2.9521   21.505   31.410   28.805   35.386   17.892   39.710   20.143 -4.323357 26.94175 
1 1 1   36   16    2 o   56.419   24.114   47.522   16.702   29.899   21.032   77.610   27.482   41.300   20.381   49.358   24.142 -8.058624 31.59422 
1 1 1   36   16    3 o   36.281   17.709   11.179   14.568   16.831   20.971   5.9088   20.252   36.964   18.565   34.666   17.513 2.298080 25.52168 
1 1 1   36   16    4 o   33.571   16.569   6.4566   13.921  -9.7365   20.018   21.625   19.374  ?   ?    37.359   18.625 0.000000 18.62514 
1 1 1   36   16    5 o   35.951   17.491   15.392   13.890   19.588   20.165   11.604   19.160   35.224   17.756   33.697   17.025 1.526691 24.59901 
1 1 1   36   16    6 o   30.536   15.339   3.6351   14.351 -21.6014   19.470   33.660   21.236  ?   ?    36.054   18.180 0.000000 18.17999 
1 1 1   36   16    7 o   29.756   15.127   5.3889   16.891  -5.1625   19.806   33.532   32.347  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   16    8 o  ?   ?  -21.0585   18.269 -21.0585   18.269   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   16    9 o  ?   ?   -0.5458   13.918 -22.2739   19.782   20.749   19.584  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   16   10 o  ?   ?   -2.8603   13.657 -12.0313   19.354   6.2359   19.275  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   16   11 o  ?   ?   -3.4738   14.193 -12.4024   19.117   7.4926   21.186  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   18    0 o   40.478   19.413   19.637   15.663   45.302   22.528  -4.3773   21.792   45.072   22.005   33.696   17.134 11.37613 27.88900 
1 1 1   36   18    1 o   35.533   17.638   7.9558   16.619   17.949   20.482 -11.3024   28.434   37.919   18.943  ?   ?  0.000000 18.94288 
1 1 1   36   18    2 o   34.676   17.213   6.8061   15.836   12.998   20.001  -3.5976   25.925   36.223   18.185  ?   ?  0.000000 18.18465 
1 1 1   36   18    3 o   31.831   15.886   0.4671   14.253 -25.6666   20.556   24.665   19.780  ?   ?    38.353   19.072 0.000000 19.07189 
1 1 1   36   18    4 o   30.746   15.427  -0.8499   14.306  -8.9309   20.757   6.4615   19.743  ?   ?    33.145   16.798 0.000000 16.79849 
1 1 1   36   18    5 o   30.527   15.302   1.8543   13.898   22.811   19.261 -20.9070   20.074   35.389   17.776  ?   ?  0.000000 17.77600 
1 1 1   36   18    6 o  ?   ?  -21.6793   16.570 -30.2021   19.861  -2.1620   30.056  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   18    7 o  ?   ?   -2.4331   16.971  -8.7002   19.868   14.483   32.641  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   18    8 o  ?   ?  -14.3503   13.938 -12.1282   18.906 -16.9958   20.629  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   18    9 o  ?   ?    7.0546   13.910   2.1423   18.832   12.952   20.634  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   18   10 o  ?   ?    20.776   15.724  -7.6341   25.152   39.003   20.147  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   18   11 o  ?   ?  -18.5367   14.046 -14.3633   20.313 -22.3608   19.444  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   20    0 o   34.239   17.019   5.6016   15.681   12.428   22.654  -0.6792   21.729   35.866   18.158   33.575   17.076 2.291157 24.92605 
1 1 1   36   20    1 o   34.841   17.377   8.2410   16.939 -10.4799   21.176   41.502   28.227  ?   ?    39.237   19.907 0.000000 19.90681 
1 1 1   36   20    2 o   34.036   16.967   7.1008   16.071 -12.8876   19.715   46.688   27.744  ?   ?    39.503   20.010 0.000000 20.00970 
1 1 1   36   20    3 o   29.470   14.867  -6.1389   14.300   24.569   20.339 -36.1592   20.110   37.094   18.582  ?   ?  0.000000 18.58152 
1 1 1   36   20    4 o   27.167   13.812 -13.4069   14.105 -21.3106   19.470  -4.6761   20.463  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   20    5 o   39.434   19.109   32.397   16.143   41.911   19.436   11.234   28.988   39.281   19.423  ?   ?  0.000000 19.42277 
1 1 1   36   20    6 o  ?   ?  -13.5939   16.710 -21.0706   20.172   2.7566   29.830  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   20    7 o   28.997   14.653   7.1513   14.250 -12.3320   19.633   28.843   20.716  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   20    8 o   27.499   13.985   6.8096   14.539 -20.8693   19.286   43.249   22.129  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   20    9 o  ?   ?    6.1297   14.185   5.9632   19.112   6.3338   21.166  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   20   10 o  ?   ?    45.400   17.222   74.894   21.112 -13.2585   29.773  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   20   11 o  ?   ?  -16.4548   16.192 -56.7805   29.942   0.2105   19.249  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   22    0 o   30.511   15.382  -4.9411   15.163  -7.0828   21.946  -2.9848   20.974  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   22    1 o   32.213   16.120   2.2810   15.129 -13.1656   21.566   17.250   21.229  ?   ?    35.675   18.012 0.000000 18.01168 
1 1 1   36   22    2 o   32.989   16.538   6.1859   16.255   31.217   20.308 -38.4488   27.118   38.599   19.215  ?   ?  0.000000 19.21498 
1 1 1   36   22    3 o   32.530   16.417   6.8317   17.528   20.446   20.856 -25.9073   32.343   35.010   17.695  ?   ?  0.000000 17.69487 
1 1 1   36   22    4 o   37.909   18.662   30.003   17.279   37.375   20.783   13.498   31.095   37.492   18.781  ?   ?  0.000000 18.78145 
1 1 1   36   22    5 o   29.636   14.945   2.8831   14.372   19.959   20.226 -14.5296   20.424   32.730   16.630  ?   ?  0.000000 16.63010 
1 1 1   36   22    6 o   29.036   14.669   4.8001   14.202  -1.2610   20.150   10.783   20.021  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   22    7 o   28.322   14.337   7.0070   14.092 -10.9568   19.206   27.956   20.741  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   22    8 o  ?   ?   -6.4406   14.387   17.021   19.316 -35.6778   21.562  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   22    9 o  ?   ?    31.150   16.760   70.780   26.538   4.8552   21.617  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   22   10 o  ?   ?  -19.0216   17.192 -15.7854   32.989 -20.2283   20.143  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   24    0 o  ?   ?  -23.8363   15.504 -60.8920   22.292   10.880   21.577  ?   ?    33.739   17.146 0.000000 17.14573 
1 1 1   36   24    1 o   31.202   15.815  -0.5482   17.510 -10.0476   21.311   19.190   30.719  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   24    2 o   39.633   19.710   42.520   21.139   42.520   21.139   0.0000   0.0000   39.633   19.710  ?   ?  0.000000 19.70961 
1 1 1   36   24    3 o   36.653   18.144   25.814   17.140   32.651   20.404   9.4244   31.592   36.622   18.382  ?   ?  0.000000 18.38224 
1 1 1   36   24    4 o   30.275   15.244   4.5595   14.634   5.1760   21.111   3.9891   20.304  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   24    5 o   28.087   14.242  -0.8951   14.316 -12.9367   20.271   11.085   20.219  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   24    6 o   28.803   14.565   6.7825   14.284   10.578   20.315   3.0708   20.089  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   24    7 f  ?   ?  -13.5531   13.836  -9.9153   18.453 -18.2242   20.910  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   24    8 o  ?   ?    4.8078   14.424  -4.1264   19.290   16.138   21.723  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   24    9 o  ?   ?  -15.4725   18.000 -13.1463   30.888 -16.6686   22.150  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   24   10 o  ?   ?  -11.3416   14.696 -26.0622   21.944   0.6296   19.789  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   26    0 o  ?   ?  -11.6053   17.948 -29.4909   21.729   26.795   31.839  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   26    1 o  ?   ?  -24.3428   17.702 -39.2580   21.440   7.6098   31.380  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   26    2 o  ?   ?  -12.8377   17.459  -1.1021   21.097 -38.3463   31.103  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   26    3 o  ?   ?  -39.7710   16.186 -11.8535   21.130 -79.4146   25.180  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   26    4 o   35.029   17.237   23.209   14.685   15.854   21.585   29.546   20.036  ?   ?    33.718   17.071 0.000000 17.07125 
1 1 1   36   26    5 o   29.163   14.733   6.9736   14.344  -8.2383   20.501   21.562   20.076  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   26    6 o  ?   ?  -12.7687   13.760 -34.1919   18.970   11.018   19.989  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   26    7 o  ?   ?  -24.9864   13.794 -10.3748   18.608 -42.8119   20.553  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   26    8 o  ?   ?  -30.0253   17.255 -70.6341   30.229 -10.3999   21.015  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   26    9 o  ?   ?  -24.1312   13.998 -20.5619   20.178 -27.4422   19.434  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   28    0 o  ?   ?  -10.0322   17.582 -13.1728   21.319  -3.3546   31.086  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   28    1 o  ?   ?  -19.9840   15.171  -2.1253   21.814 -36.7133   21.113  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   28    2 o  ?   ?  -42.6548   16.072 -42.5120   20.670 -42.8732   25.561  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   28    3 o  ?   ?   -5.1734   16.780 -17.5969   21.497   14.200   26.844  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   28    4 o   31.285   15.692   15.154   14.732   23.847   21.953   8.0331   19.870  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   28    5 o  ?   ?  -13.7704   14.279 -11.3174   21.163 -15.8205   19.346  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   28    6 o   33.806   16.720   31.725   14.438   39.949   20.258   23.236   20.583  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   28    7 o  ?   ?   -5.0152   16.576   10.356   28.193 -13.1364   20.493  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   28    8 o  ?   ?   -7.6461   13.694 -13.6693   18.658  -0.6123   20.163  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   28    9 o  ?   ?    23.942   13.439   26.514   18.669   21.177   19.360  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   30    0 o   33.987   16.853   20.290   15.021   52.023   21.831  -8.2431   20.701   37.419   18.812  ?   ?  0.000000 18.81229 
1 1 1   36   30    1 o  ?   ?   -9.6052   14.864  -1.8776   20.525 -18.1264   21.553  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   30    2 f   32.967   16.465   20.281   15.433   29.605   22.367   11.811   21.320  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   30    3 f   34.037   17.024   29.857   16.773   26.156   21.667   35.390   26.495  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   30    4 o   27.661   14.047   3.7528   14.299 -30.1118   21.638   30.005   19.052  ?   ?    31.742   16.129 0.000000 16.12907 
1 1 1   36   30    5 o  ?   ?   -1.4101   14.178   9.7522   20.653 -11.3585   19.498  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   30    6 o  ?   ?   -4.9391   17.333   25.629   32.004 -17.6281   20.619  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   30    7 o  ?   ?    0.9880   14.568 -25.6258   20.522   28.021   20.683  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   30    8 o  ?   ?  -13.2224   13.476 -12.2070   19.051 -14.2394   19.066  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   32    0 f  ?   ?   -6.8160   14.836   9.0824   22.065 -19.9317   20.042  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   32    1 o   36.664   17.932   33.234   15.154  -2.4417   22.425   63.219   20.559  ?   ?    39.046   19.421 0.000000 19.42082 
1 1 1   36   32    2 o  ?   ?   -1.2218   14.982   7.2116   21.593  -9.0503   20.804  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   32    3 o  ?   ?  -38.5518   16.809 -27.9384   22.576 -51.7561   25.181  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   32    4 o  ?   ?  -12.2796   14.201 -18.8448   20.690  -6.4324   19.526  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   32    5 o  ?   ?   -7.2461   15.775 -59.8049   29.415   13.973   18.690  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   32    6 o  ?   ?   -3.7171   16.220 -32.7073   26.989   12.676   20.295  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   32    7 o  ?   ?  -21.8576   14.495 -30.7496   22.090 -15.1332   19.209  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   34    0 o  ?   ?   -1.7259   17.564   1.2980   31.473  -3.0936   21.167  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   34    1 o  ?   ?   -5.6260   14.915   10.177   22.080 -18.8876   20.227  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   34    2 o  ?   ?   -1.2250   14.947 -21.3992   22.624   14.402   19.912  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   34    3 o  ?   ?    19.917   17.174   21.811   23.487   17.741   25.177  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   34    4 o  ?   ?    3.2345   19.844   19.956   30.796  -8.6390   25.950  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   34    5 o  ?   ?    10.546   13.961   1.2720   20.964   17.937   18.714  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   34    6 o  ?   ?  -20.2818   16.739 -35.9345   20.998   7.0098   27.727  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   34    7 o  ?   ?    6.8770   14.284  -4.3059   21.135   16.279   19.380  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   36    0 o  ?   ?    11.051   15.094   18.987   20.914   2.4229   21.806  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   36    1 o  ?   ?    5.6139   14.963   2.0635   21.145   9.1752   21.178  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   36    2 o  ?   ?    17.009   17.636   31.737   32.569   10.899   20.978  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   36    3 o  ?   ?   -6.4692   16.636 -23.5024   31.020   0.4075   19.710  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   36    4 o  ?   ?   -3.2177   16.527   4.0822   21.377 -14.0634   26.056  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   36    5 o  ?   ?    6.5572   14.160  -0.4578   21.039   12.366   19.144  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   38    0 o  ?   ?  -14.9739   14.287 -31.7993   20.873  -0.1403   19.598  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   38    1 o  ?   ?   -2.6573   16.852  -2.6268   29.768  -2.6716   20.444  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   38    2 o  ?   ?  -10.3535   16.672 -31.4781   29.772  -0.7031   20.122  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   38    3 f  ?   ?  -15.9072   14.666 -20.9500   21.847 -11.7701   19.788  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   38    4 o  ?   ?  -11.4334   16.637 -24.8635   21.719   7.6390   25.882  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   40    0 o  ?   ?    26.331   16.620   56.244   29.089   11.833   20.251  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   40    1 o  ?   ?  -17.9635   18.224 -14.7499   22.525 -24.0537   31.008  ?   ?   ?   ?  0.000000      ? 
1 1 1   36   40    2 o  ?   ?   -0.9605   14.846  -6.9789   21.740   4.2984   20.322  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    1    0 o   34.419   16.987   10.221   14.630   11.916   20.316   8.3948   21.085   34.361   17.375   33.682   17.101 0.6786842 24.37886 
1 1 1   37    1    1 o   32.946   16.398   6.5810   14.767 -34.9814   21.163   46.018   20.615  ?   ?    42.575   20.842 0.000000 20.84187 
1 1 1   37    1    2 o  ?   ?   -8.7406   16.754   0.2102   29.345 -13.0697   20.408  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    1    3 o  ?   ?  -34.1386   13.766 -38.1216   19.204 -29.9291   19.743  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    1    4 o   29.613   14.927   1.6549   14.244   14.077   20.032 -11.0514   20.259  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    1    5 o   32.186   16.059   14.885   14.518   21.489   20.385   8.0876   20.682  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    1    6 o   34.283   16.960   27.281   14.890   8.4973   20.773   47.135   21.356  ?   ?    34.204   17.350 0.000000 17.34963 
1 1 1   37    1    7 o   29.402   14.838   15.715   14.317   1.3996   20.327   29.807   20.169  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    1    8 o   28.604   14.461   19.242   14.009   15.597   19.791   22.902   19.834  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    1    9 o  ?   ?    6.7621   14.190  -0.8937   19.297   15.777   20.939  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    1   10 o  ?   ?    6.8947   14.205   24.088   20.349  -9.4456   19.837  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    1   11 o  ?   ?   -9.5111   13.156  -2.2637   18.678 -16.6465   18.533  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    3    0 f  ?   ?  -27.8890   14.453 -32.4510   20.670 -23.5252   20.216  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    3    1 o   27.997   14.213 -12.1658   14.546 -27.6802   21.005   2.1307   20.164  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    3    2 o   30.314   15.256  -0.8105   14.570  -4.4686   20.754   2.7447   20.460  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    3    3 o   32.714   16.276   9.7860   14.481   47.387   20.689 -26.3308   20.276   40.457   20.010  ?   ?  0.000000 20.01037 
1 1 1   37    3    4 o   33.043   16.589   15.928   16.652 -16.9122   27.931   34.037   20.741  ?   ?    35.595   17.951 0.000000 17.95075 
1 1 1   37    3    5 o   33.545   16.621   19.384   14.506   10.877   20.621   27.717   20.409  ?   ?    32.997   16.760 0.000000 16.75981 
1 1 1   37    3    6 o   30.316   15.268   13.831   14.722   8.6893   21.252   18.575   20.413  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    3    7 o   28.361   14.385   11.897   14.681  -1.8058   21.076   24.813   20.461  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    3    8 o  ?   ?    13.698   14.367   41.106   20.129 -14.7680   20.514  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    3    9 o  ?   ?    12.999   14.460   19.043   20.474   6.9837   20.425  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    3   10 o  ?   ?    15.033   14.099   4.0009   19.883   26.190   19.995  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    3   11 o  ?   ?   -8.9017   13.984  -7.0937   20.650 -10.4334   19.006  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    5    0 o   29.698   14.987  -5.0129   14.604  -1.7870   20.695  -8.2125   20.610  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    5    1 o   44.412   20.958   39.229   16.822 -20.3707   29.174   68.917   20.590  ?   ?    51.490   23.935 0.000000 23.93475 
1 1 1   37    5    2 o  ?   ?  -13.3244   14.456 -22.1784   20.951  -5.2779   19.972  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    5    3 o   33.346   16.564   12.428   14.758   7.7273   21.030   16.989   20.716  ?   ?    33.341   16.929 0.000000 16.92947 
1 1 1   37    5    4 o   29.172   14.747   0.4330   14.552   1.5276   20.162  -0.7571   21.024  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    5    5 o  ?   ?  -20.6495   14.394 -19.8393   20.528 -21.4330   20.189  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    5    6 o  ?   ?   -8.3847   14.280 -22.9627   20.362   5.7228   20.031  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    5    7 o  ?   ?  -30.3877   14.449 -39.7373   20.709 -21.5178   20.170  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    5    8 o  ?   ?   -3.6452   14.286  -2.8216   20.174  -4.4735   20.233  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    5    9 o  ?   ?  -14.3267   14.751   0.5871   20.989 -28.8834   20.736  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    5   10 o  ?   ?    3.0917   14.461  -3.6053   20.678   9.5013   20.230  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    5   11 o  ?   ?   -1.0450   16.588   2.0235   20.163  -7.4732   29.182  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7    0 o   37.637   18.232   19.867   14.666   22.186   21.298   17.777   20.225   35.640   18.000   34.978   17.650 0.6622581 25.20924 
1 1 1   37    7    1 o  ?   ?  -19.1054   16.431  -7.6102   21.534 -35.1219   25.419  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7    2 o   29.891   15.075  -1.2559   14.636 -10.5157   21.244   7.1105   20.194  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7    3 o  ?   ?  -29.2269   14.529 -30.9856   20.822 -27.5581   20.283  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7    4 o   28.650   14.530  -1.3863   14.934  -1.7055   21.440  -1.0855   20.815  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7    5 o  ?   ?    1.2336   16.631  -0.4966   29.263   2.0590   20.212  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7    6 f   28.727   14.537   8.5549   14.414   36.284   20.489 -18.6124   20.280  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7    7 o  ?   ?    5.2375   14.588   18.180   20.229  -8.7863   21.058  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7    8 o  ?   ?    3.9581   14.324   0.4618   20.223   7.4780   20.291  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7    9 o  ?   ?    14.994   14.393   11.971   19.905   18.306   20.837  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7   10 o  ?   ?   -8.6810   15.663 -25.1389   18.500   32.976   29.432  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    7   11 o  ?   ?   -0.7153   16.857 -11.2087   20.897   18.834   28.523  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    9    0 o   38.110   18.423   22.161   14.792   49.418   22.033  -0.2055   19.959   41.035   20.358  ?   ?  0.000000 20.35843 
1 1 1   37    9    1 o   44.187   20.529   35.473   15.115   27.022   21.759   43.353   21.011   35.698   18.045   39.845   19.787 -4.146671 26.77979 
1 1 1   37    9    2 o   39.695   18.997   27.971   14.819   38.524   21.703   18.754   20.283   37.386   18.790   33.898   17.164 3.487957 25.44958 
1 1 1   37    9    3 o   31.792   15.894   9.1800   14.546   1.0251   20.974   16.739   20.192  ?   ?    32.733   16.630 0.000000 16.63005 
1 1 1   37    9    4 o   38.641   18.651   32.044   15.023   35.135   21.112   28.873   21.381   34.619   17.527   33.409   16.987 1.209816 24.40811 
1 1 1   37    9    5 o  ?   ?    2.7283   17.557   16.862   20.978 -30.3317   32.083  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    9    6 o   31.360   15.714   20.382   14.601   14.458   20.078   27.030   21.271  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    9    7 f  ?   ?    3.7639   15.023  -1.7441   20.627   9.9853   21.922  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    9    8 f  ?   ?  -10.6252   14.532 -28.3720   19.831   9.9583   21.357  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    9    9 o  ?   ?    22.448   16.461   32.209   20.114   2.6541   28.643  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    9   10 o  ?   ?   -9.2423   15.595  -5.2404   18.565 -18.8342   28.742  ?   ?   ?   ?  0.000000      ? 
1 1 1   37    9   11 o  ?   ?   -0.5317   13.781   24.325   20.308 -21.7458   18.761  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11    0 o  ?   ?  -25.4909   15.118  -7.2148   21.748 -42.5800   21.030  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11    1 o  ?   ?  -16.1277   14.960  -0.5038   21.666 -30.3628   20.681  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11    2 o   31.551   15.839   7.4098   15.173  -8.8865   21.783   22.767   21.146  ?   ?    33.954   17.227 0.000000 17.22683 
1 1 1   37   11    3 o   28.817   14.588  -1.0269   14.596  -5.6812   20.999   3.3233   20.302  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11    4 o   30.123   15.195   7.7537   14.916  -6.6588   21.204   21.871   20.986  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11    5 o  ?   ?   -6.4371   16.460 -12.6457   20.127   6.0976   28.598  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11    6 o   35.927   17.845   45.743   17.119   31.461   21.321   71.659   28.721  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11    7 o  ?   ?    24.854   16.620   9.5845   19.857   60.585   30.375  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11    8 o  ?   ?    0.0650   20.042   0.0650   20.042   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11    9 o  ?   ?    13.953   20.275   13.953   20.275   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11   10 o  ?   ?    3.4949   13.401   4.0600   17.663   2.7284   20.571  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   11   11 o  ?   ?    21.152   13.975   6.5582   20.249   34.427   19.312  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13    0 o  ?   ?  -21.5004   14.460 -39.4564   20.724  -4.4660   20.185  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13    1 o  ?   ?  -22.0348   15.018 -20.5557   21.319 -23.4921   21.161  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13    2 o   29.139   14.754  -0.6935   14.971  -3.2213   21.329   1.7611   21.018  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13    3 o  ?   ?  -21.2984   14.670   6.1823   21.248 -46.3289   20.279  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13    4 f  ?   ?   -5.0053   15.884 -22.0877   20.044   23.829   26.041  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13    5 o  ?   ?  -33.9456   15.821 -17.7530   19.131 -68.9756   28.138  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13    6 o  ?   ?    7.4675   19.675   7.4675   19.675   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13    7 o  ?   ?    37.484   19.595   37.484   19.595   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13    8 o  ?   ?  -15.6657   20.683 -15.6657   20.683   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13    9 o  ?   ?    20.315   16.555   36.604   19.914 -16.1220   29.784  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13   10 o  ?   ?    2.8297   15.599  -7.9597   18.570   28.693   28.751  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   13   11 o  ?   ?    8.2726   15.848  -0.7730   19.236   27.380   27.958  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   15    0 f   45.540   20.925   41.729   15.085   43.822   21.478   39.691   21.191   37.544   18.847   36.819   18.514 0.7242432 26.41901 
1 1 1   37   15    1 o  ?   ?  -13.6174   15.003 -26.3704   20.961  -0.2225   21.482  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   15    2 o  ?   ?  -24.9615   20.890 -24.9615   20.890   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   15    3 o  ?   ?  -31.4033   14.220  -8.0243   20.485 -53.1468   19.755  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   15    4 o   31.803   16.010   19.961   16.092   28.680   20.567   6.2000   25.839  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   15    5 o  ?   ?    25.742   19.618   25.742   19.618   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   15    6 o  ?   ?   -7.6773   19.389  -7.6773   19.389   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   15    7 o  ?   ?    25.602   17.217   16.520   19.900   52.634   34.333  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   15    8 o  ?   ?    37.922   29.060   0.0000   0.0000   37.922   29.060  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   15    9 o  ?   ?    4.7150   16.273   6.3594   19.481   0.9180   29.603  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   15   10 o  ?   ?    11.413   16.206   19.751   20.008  -4.4902   27.632  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   17    0 o  ?   ?  -32.4245   15.020 -37.0198   21.852 -28.3091   20.680  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   17    1 o   32.696   16.317   15.781   15.032   52.320   21.622 -18.3964   20.912   37.852   18.989  ?   ?  0.000000 18.98902 
1 1 1   37   17    2 o  ?   ?   -5.4149   14.944  -6.1388   21.511  -4.7395   20.776  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   17    3 o  ?   ?    11.062   17.688 -15.4905   20.859   79.024   33.372  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   17    4 o   34.609   17.524   51.198   21.137   51.198   21.137   0.0000   0.0000   34.609   17.524  ?   ?  0.000000 17.52362 
1 1 1   37   17    5 o  ?   ?    7.5941   18.908   7.5941   18.908   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   17    6 o  ?   ?    1.0487   16.043   5.5692   19.006 -10.1561   29.923  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   17    7 o  ?   ?  -13.4178   14.646  -1.3374   19.522 -28.9713   22.151  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   17    8 o  ?   ?  -14.9965   14.072   0.7329   18.848 -34.8078   21.153  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   17    9 o  ?   ?    1.1523   13.800  -4.1020   19.136   6.8451   19.919  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   17   10 o  ?   ?  -17.8532   14.276  -7.4002   20.462 -27.7670   19.927  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19    0 o  ?   ?  -21.5479   15.721 -17.4359   22.295 -25.6143   22.171  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19    1 o   31.107   15.768   14.885   17.449   31.934   21.249 -20.4195   30.577  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19    2 o   32.914   16.581   25.754   17.442   14.178   21.264   49.561   30.494  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19    3 o  ?   ?  -26.9406   17.043 -24.1144   20.336 -33.6098   31.239  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19    4 o  ?   ?   -9.6358   19.722  -9.6358   19.722   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19    5 o  ?   ?    3.4901   15.513  -3.0702   19.252   15.634   26.194  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19    6 o  ?   ?    8.4344   15.618   1.8194   18.895   22.698   27.746  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19    7 o  ?   ?  -23.5725   13.993  -4.2312   18.979 -46.6063   20.712  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19    8 o  ?   ?   -7.6032   14.091 -18.4039   19.350   4.5914   20.561  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19    9 o  ?   ?    16.502   14.415  -1.8313   19.997   36.338   20.800  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   19   10 o  ?   ?    25.532   17.331   45.459   31.695   17.032   20.700  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   21    0 o  ?   ?    11.119   18.473   20.415   22.790  -6.6878   31.543  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   21    1 o  ?   ?   -4.0715   17.809 -21.0083   21.379   34.332   32.192  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   21    2 o  ?   ?    3.6400   16.924   13.393   20.357 -18.1854   30.452  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   21    3 f  ?   ?  -31.6607   14.264  -9.4257   21.122 -50.3008   19.340  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   21    4 o  ?   ?  -19.0637   15.736 -28.1427   20.670  -6.5463   24.270  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   21    5 o  ?   ?    11.018   16.152  -9.2062   19.851   50.634   27.784  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   21    6 o  ?   ?    8.7587   14.596   17.313   19.791  -1.4410   21.611  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   21    7 o  ?   ?    15.842   14.422   17.059   19.736   14.447   21.127  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   21    8 o  ?   ?    6.1365   14.485   17.821   19.659  -7.7413   21.425  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   21    9 o  ?   ?   -8.4792   20.580   0.0000   0.0000  -8.4792   20.580  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   23    0 o  ?   ?    19.758   18.310   21.703   22.127   15.532   32.610  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   23    1 o   30.388   15.330   16.782   15.208   18.191   21.389   15.341   21.627  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   23    2 o  ?   ?  -30.1512   14.640 -53.9613   21.471  -9.4608   20.015  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   23    3 o  ?   ?  -11.3132   14.320   3.3692   20.430 -25.4940   20.078  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   23    4 o  ?   ?   -5.9138   16.904  -1.4113   21.242 -13.6878   27.912  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   23    5 o  ?   ?    11.567   16.500   24.480   20.684 -11.0293   27.361  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   23    6 o  ?   ?    1.7283   14.522 -12.9206   20.193   17.421   20.901  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   23    7 o  ?   ?    2.6315   14.289   13.700   19.357 -10.6200   21.180  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   23    8 f  ?   ?    10.173   17.171  -1.4239   30.362   15.627   20.821  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   23    9 o  ?   ?  -36.9972   16.939  -9.9377   20.501 -95.2195   30.072  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   25    0 o  ?   ?   -7.1738   15.285   25.212   22.203 -36.3451   21.073  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   25    1 o  ?   ?  -13.1988   15.097 -30.3290   21.568   3.2575   21.139  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   25    2 o  ?   ?    0.4070   14.566   8.5136   21.673  -6.2721   19.672  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   25    3 o   34.375   17.043   40.727   15.346   36.779   22.450   44.190   21.025  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   25    4 o  ?   ?    15.313   17.488   25.956   22.207  -2.0629   28.376  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   25    5 o  ?   ?    1.6571   16.903   30.532   21.041 -50.8781   28.381  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   25    6 o  ?   ?    9.2090   14.114  -2.3988   19.030   23.399   21.041  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   25    7 o  ?   ?    8.6439   16.311   3.5161   26.282   11.856   20.801  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   25    8 o  ?   ?    7.1719   15.951   3.8088   25.965   9.2104   20.215  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   25    9 o  ?   ?    18.181   14.254   53.156   19.806 -19.3959   20.529  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   27    0 o  ?   ?    9.9196   15.162 -11.1805   22.344   27.928   20.643  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   27    1 o  ?   ?    5.7763   15.081   0.6542   22.391   10.030   20.404  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   27    2 o  ?   ?  -11.9855   14.971  -9.4987   21.529 -14.3142   20.834  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   27    3 o  ?   ?    9.2335   22.195   9.2335   22.195   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   27    4 o  ?   ?    1.8721   16.950 -19.2007   22.049   32.322   26.504  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   27    5 o  ?   ?  -33.2756   17.153 -54.9753   21.382   5.8976   28.729  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   27    6 f  ?   ?    7.4569   16.837   21.439   28.585   0.0282   20.836  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   27    7 o  ?   ?    20.345   13.576   18.194   18.366   22.935   20.157  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   27    8 o  ?   ?  -36.2066   13.489 -49.2772   18.306 -20.6779   19.953  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   29    0 o  ?   ?   -7.4334   14.715 -13.8818   21.783  -2.0204   19.958  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   29    1 o  ?   ?   -2.6102   15.311 -13.8778   22.050   7.8818   21.278  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   29    2 o  ?   ?    6.3093   15.114 -22.2857   22.097   31.445   20.717  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   29    3 o  ?   ?   -9.4486   14.597 -14.9246   21.631  -4.8699   19.780  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   29    4 o  ?   ?   -0.7067   17.403   4.6709   22.583  -8.5707   27.309  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   29    5 o  ?   ?    8.8765   20.977   2.6493   32.693   13.234   27.349  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   29    6 o  ?   ?  -18.8300   14.422 -66.7224   21.125   22.977   19.737  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   29    7 o  ?   ?  -21.6181   13.797 -19.7266   19.838 -23.3899   19.200  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   31    0 o  ?   ?    3.7371   14.974   3.9264   22.213   3.5795   20.272  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   31    1 o  ?   ?  -24.8645   15.087 -21.5643   22.032 -27.7787   20.703  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   31    2 o  ?   ?    16.865   14.849   5.3042   22.637   25.597   19.674  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   31    3 o  ?   ?   -1.3077   16.351  -6.7659   31.120   0.7738   19.217  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   31    4 o  ?   ?    0.3665   16.493 -25.1268   30.525   10.877   19.600  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   31    5 o  ?   ?  -22.2686   15.543 -22.3601   20.384 -22.1415   24.025  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   31    6 o  ?   ?  -10.5581   15.459   14.656   23.387 -30.1221   20.601  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   31    7 o  ?   ?  -20.2232   14.488  -4.3384   20.965 -34.7450   20.045  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   33    0 o  ?   ?  -25.2180   14.998 -26.9584   21.672 -23.6183   20.776  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   33    1 o  ?   ?  -34.9100   14.708 -39.4699   21.374 -30.8087   20.271  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   33    2 o  ?   ?    5.8195   17.294 -22.5756   33.019   16.553   20.301  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   33    3 o  ?   ?   -4.2318   16.873   24.371   33.438 -14.0031   19.544  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   33    4 o  ?   ?    3.1056   13.815  -6.2838   20.926   10.359   18.393  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   33    5 o  ?   ?    2.8303   16.586   2.6687   20.776   3.1141   27.538  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   33    6 o  ?   ?    6.1498   16.778   1.6862   20.704   14.688   28.634  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   35    0 o  ?   ?    19.062   17.157  -4.8727   29.076   31.846   21.250  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   35    1 o  ?   ?    24.413   16.682 -29.9171   29.977   48.787   20.079  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   35    2 o  ?   ?    16.078   15.359  -7.5082   23.234   34.386   20.469  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   35    3 o  ?   ?  -13.4050   14.236 -49.8467   22.182   12.116   18.563  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   35    4 o  ?   ?    15.552   14.437   35.994   22.920   2.1077   18.587  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   37    0 o  ?   ?  -27.4028   21.395   24.956   29.747 -83.5122   30.794  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   37    1 o  ?   ?  -21.2021   14.949 -45.8284   21.906   0.2658   20.453  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   37    2 o  ?   ?   -1.5375   14.913   1.6652   22.189  -4.1761   20.140  ?   ?   ?   ?  0.000000      ? 
1 1 1   37   37    3 o  ?   ?   -3.0012   14.083   37.924   22.004 -31.3965   18.328  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    0    0 o   43.984   28.426   2.1258   20.261   2.1258   20.261   2.1258   20.261   43.984   28.426   43.984   28.426 0.000000 0.000000 
1 1 1   38    0    1 o   37.438   25.611 -10.6078   20.973 -10.6078   20.973 -10.6078   20.973   37.438   25.611   37.438   25.611 0.000000 0.000000 
1 1 1   38    0    2 o   25.355   18.563 -49.9538   20.672 -49.9538   20.672 -49.9538   20.672   25.355   18.563   25.355   18.563 0.000000 0.000000 
1 1 1   38    0    3 o   45.259   30.598  -7.7756   28.140  -7.7756   28.140  -7.7756   28.140   45.259   30.598   45.259   30.598 0.000000 0.000000 
1 1 1   38    0    4 o   53.722   31.941   14.291   20.759   14.291   20.759   14.291   20.759   53.722   31.941   53.722   31.941 0.000000 0.000000 
1 1 1   38    0    5 o   33.699   23.646 -18.7486   21.022 -18.7486   21.022 -18.7486   21.022   33.699   23.646   33.699   23.646 0.000000 0.000000 
1 1 1   38    0    6 o   36.985   25.391 -10.1722   21.017 -10.1722   21.017 -10.1722   21.017   36.985   25.391   36.985   25.391 0.000000 0.000000 
1 1 1   38    0    7 o   70.792   35.342   30.842   21.092   30.842   21.092   30.842   21.092   70.792   35.342   70.792   35.342 0.000000 0.000000 
1 1 1   38    0    8 o   62.732   33.579   25.027   19.963   25.027   19.963   25.027   19.963   62.732   33.579   62.732   33.579 0.000000 0.000000 
1 1 1   38    0    9 o   66.129   34.471   29.101   20.597   29.101   20.597   29.101   20.597   66.129   34.471   66.129   34.471 0.000000 0.000000 
1 1 1   38    0   10 o   47.323   29.620   12.431   20.000   12.431   20.000   12.431   20.000   47.323   29.620   47.323   29.620 0.000000 0.000000 
1 1 1   38    0   11 o   48.580   29.749   16.315   19.137   16.315   19.137   16.315   19.137   48.580   29.749   48.580   29.749 0.000000 0.000000 
1 1 1   38    2    0 o   31.046   15.589   19.667   14.738  -9.1724   20.736   49.108   20.951  ?   ?    33.612   17.063 0.000000 17.06311 
1 1 1   38    2    1 o  ?   ?  -18.9874   14.936 -28.6740   21.296  -9.6096   20.954  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    2    2 f  ?   ?   -6.5626   14.885 -15.3743   21.023   2.2952   21.078  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    2    3 o  ?   ?   -5.2715   20.691  -5.2715   20.691   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    2    4 o  ?   ?   -8.4441   14.436 -23.3761   20.249   6.9873   20.585  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    2    5 o  ?   ?    19.693   15.371   27.270   21.518   11.799   21.963  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    2    6 o  ?   ?    7.4497   14.886 -21.0589   20.792   37.430   21.322  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    2    7 o  ?   ?   -0.8559   14.247 -18.5079   20.205   16.596   20.091  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    2    8 o  ?   ?   -0.2278   14.606  -4.9441   21.197   4.0358   20.154  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    2    9 o  ?   ?    36.989   14.932   53.656   21.149   20.422   21.086  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    2   10 o  ?   ?   -0.5447   13.906 -15.4502   19.728   14.177   19.605  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    2   11 o  ?   ?    2.7714   16.129 -16.6829   19.513   44.722   28.654  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4    0 o  ?   ?  -24.9465   15.102 -45.5331   21.626  -5.3528   21.098  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4    1 o  ?   ?    4.4833   16.233  -2.7224   26.630   8.7437   20.477  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4    2 o  ?   ?  -18.8334   14.620   5.8947   20.817 -42.9024   20.538  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4    3 o   28.050   14.256   14.172   14.947   3.6398   21.178   24.625   21.099  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4    4 o  ?   ?    1.2561   17.284   10.527   30.248  -3.2384   21.061  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4    5 o   30.093   15.179   33.675   14.875   38.471   20.717   28.571   21.370  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4    6 o  ?   ?    6.2444   14.750 -12.6807   20.677   25.857   21.049  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4    7 o  ?   ?  -16.5743   14.205   3.8937   20.556 -35.2844   19.653  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4    8 o  ?   ?   -1.8191   13.997  -2.8815   19.833  -0.7648   19.758  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4    9 o  ?   ?    2.4870   14.147  -7.0386   19.152   13.925   20.987  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    4   10 o  ?   ?   -1.6488   16.728   2.9539   20.648 -10.4390   28.534  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    6    0 o   34.003   16.853   31.481   14.957   11.705   22.125   48.123   20.297  ?   ?    33.412   16.944 0.000000 16.94420 
1 1 1   38    6    1 o  ?   ?  -32.3526   14.613 -26.0979   20.567 -38.7294   20.767  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    6    2 o  ?   ?   -6.3530   14.566 -21.5375   20.669   8.6285   20.531  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    6    3 o  ?   ?   -8.2560   14.662 -12.8524   20.154  -3.0890   21.369  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    6    4 o  ?   ?   -8.8827   17.488   5.7508   21.208 -39.9707   30.912  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    6    5 o  ?   ?    5.7412   14.880   6.8177   20.625   4.5729   21.487  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    6    6 o  ?   ?   -9.9260   14.640 -23.5613   20.867   3.2918   20.545  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    6    7 o  ?   ?   -5.6897   14.460  -4.0180   20.841  -7.2414   20.079  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    6    8 o  ?   ?  -18.1556   15.816 -14.6788   19.032 -25.9171   28.436  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    6    9 o  ?   ?   -3.8877   15.448 -15.4130   18.351   24.141   28.618  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    6   10 o  ?   ?    9.8327   14.715   2.8671   21.056   16.481   20.572  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8    0 o  ?   ?  -23.5347   16.579 -64.5366   28.628  -2.8447   20.336  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8    1 o   33.961   16.820   33.232   14.800   40.488   21.750   26.975   20.196  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8    2 o  ?   ?   -2.4194   14.585 -26.2781   20.583   21.641   20.670  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8    3 f  ?   ?    12.771   14.874   5.9035   20.932   19.776   21.140  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8    4 o  ?   ?  -33.6208   14.864 -12.7838   20.346 -57.4745   21.769  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8    5 o  ?   ?   -6.3348   15.040  -4.9548   21.359  -7.6921   21.182  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8    6 o  ?   ?  -15.3031   14.508   5.0907   20.709 -34.9566   20.330  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8    7 o  ?   ?    18.993   20.313   18.993   20.313   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8    8 o  ?   ?  -11.5222   16.270  -7.7120   19.966 -19.0537   28.070  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8    9 o  ?   ?   -2.3992   13.763  -1.1558   18.705  -3.8672   20.324  ?   ?   ?   ?  0.000000      ? 
1 1 1   38    8   10 o  ?   ?  -15.0710   14.179 -34.4218   20.344   3.2115   19.774  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   10    0 o  ?   ?  -19.3869   17.051 -31.9190   21.805   0.3399   27.357  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   10    1 o  ?   ?   -9.1104   14.906  -8.3967   21.767  -9.7406   20.454  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   10    2 o  ?   ?    0.9400   15.004  -2.7868   21.760   4.3179   20.716  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   10    3 o   31.012   15.571   30.323   14.692  -6.7032   20.784   67.306   20.772  ?   ?    33.121   16.831 0.000000 16.83083 
1 1 1   38   10    4 o  ?   ?  -19.4783   14.552 -27.5773   19.733  -9.8226   21.546  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   10    5 o  ?   ?  -17.2694   16.637 -17.6054   19.472 -16.3610   32.020  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   10    6 o  ?   ?    1.4551   16.619   6.2918   20.028  -9.2390   29.780  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   10    7 o  ?   ?    4.8353   17.069   27.672   20.815 -42.0585   29.827  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   10    8 o  ?   ?    12.899   14.343   16.148   20.359   9.6975   20.210  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   10    9 o  ?   ?   -0.0453   13.511  -3.0242   19.294   2.8214   18.927  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   10   10 o  ?   ?    44.266   20.246   0.0000   0.0000   44.266   20.246  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12    0 o  ?   ?    13.057   15.239   44.121   21.564 -17.9334   21.538  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12    1 o  ?   ?  -15.7634   15.046   29.578   21.768 -57.2480   20.821  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12    2 o  ?   ?    14.332   15.562 -24.8265   22.438   50.624   21.601  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12    3 o  ?   ?    1.6208   17.441   17.608   21.275 -31.1415   30.456  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12    4 o  ?   ?    7.7085   16.337   25.749   19.572 -33.7415   29.666  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12    5 o  ?   ?  -18.5494   16.484 -12.9841   19.069 -35.0049   32.790  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12    6 o  ?   ?  -11.9848   16.302 -24.6402   19.275   19.820   30.556  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12    7 o  ?   ?    0.9471   14.350 -18.5000   19.676   23.045   20.974  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12    8 o  ?   ?   -8.0685   14.578 -19.9726   20.445   4.2450   20.793  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12    9 o  ?   ?    4.3681   13.918   27.080   19.951 -17.1641   19.426  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   12   10 o  ?   ?   -8.3564   13.635  -1.0265   19.668 -15.1387   18.919  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14    0 o  ?   ?  -16.6797   17.761 -24.1808   21.892  -2.2341   30.380  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14    1 o  ?   ?    7.6892   18.225   14.858   22.205  -7.1073   31.902  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14    2 o  ?   ?    3.3309   17.400   19.541   21.172 -30.4000   30.541  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14    3 o  ?   ?  -19.7932   16.928 -20.3383   20.330 -18.5610   30.569  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14    4 o  ?   ?    9.4717   16.863   23.243   20.495 -19.3902   29.670  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14    5 o  ?   ?  -12.2498   14.517 -17.8525   19.842  -5.7973   21.294  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14    6 o  ?   ?    26.293   14.296   37.968   18.705   9.8951   22.168  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14    7 o  ?   ?    5.8729   14.853   1.9477   20.520   10.193   21.528  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14    8 o  ?   ?    16.162   14.559   9.4413   20.243   23.363   20.954  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14    9 o  ?   ?    17.951   13.927   16.666   20.042   19.151   19.368  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   14   10 o  ?   ?    12.415   14.103   31.431   20.701  -4.0579   19.266  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   16    0 o  ?   ?   -3.0132   18.618 -13.6959   22.822   18.239   32.190  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   16    1 o  ?   ?   -3.0090   17.837 -11.9450   21.373   17.498   32.377  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   16    2 o  ?   ?    12.449   17.574 -22.1666   21.485   82.439   30.551  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   16    3 o  ?   ?  -21.2345   14.263  -6.5271   21.061 -33.6938   19.384  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   16    4 o  ?   ?  -27.9177   13.832 -50.3721   20.339  -8.5950   18.867  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   16    5 o  ?   ?  -19.0181   14.261  -7.1399   19.629 -32.2972   20.754  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   16    6 o  ?   ?  -32.0637   14.085 -38.7337   18.820 -23.5708   21.236  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   16    7 o  ?   ?   -3.1603   15.007 -10.1237   20.335   5.1688   22.240  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   16    8 o  ?   ?  -10.9344   13.816  -3.2383   19.052 -19.4719   20.066  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   16    9 o  ?   ?   -8.5229   14.175  -0.6155   20.905 -15.2526   19.285  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   18    0 o  ?   ?  -24.4003   16.084  -9.2508   23.197 -38.4278   22.321  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   18    1 o  ?   ?  -18.3403   15.121 -13.8406   21.606 -22.6597   21.169  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   18    2 o  ?   ?   -9.4076   14.349 -13.0647   21.556  -6.4977   19.229  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   18    3 o  ?   ?    11.073   14.112   2.8110   20.678   18.275   19.306  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   18    4 o  ?   ?   -1.6881   14.261  -1.2722   20.428  -2.0835   19.919  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   18    5 o  ?   ?    9.7194   14.561   36.481   19.674 -22.6917   21.652  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   18    6 o  ?   ?   -7.3260   14.337   1.7584   19.873 -17.1876   20.705  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   18    7 o  ?   ?  -35.5593   14.803 -37.1873   20.375 -33.7397   21.542  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   18    8 o  ?   ?  -40.7211   17.423   0.8366   30.929 -60.0370   21.087  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   18    9 o  ?   ?    33.590   17.597   13.990   33.122   41.297   20.770  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   20    0 o  ?   ?    0.0599   15.860  -2.0298   22.981   1.9605   21.916  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   20    1 o  ?   ?  -27.7025   14.796 -23.9993   21.755 -30.8900   20.183  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   20    2 o  ?   ?    3.4318   14.753  -1.8430   21.762   7.9178   20.069  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   20    3 o  ?   ?  -10.3912   14.259 -18.9732   20.427  -2.2343   19.914  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   20    4 o  ?   ?    10.765   14.522   14.789   20.360   6.5972   20.718  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   20    5 o  ?   ?  -23.5598   14.360 -36.5330   19.531  -8.2943   21.186  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   20    6 o  ?   ?    25.863   14.931   33.713   20.650   17.262   21.615  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   20    7 o  ?   ?  -15.4557   14.931 -27.6781   20.029  -0.1651   22.402  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   20    8 o  ?   ?    25.005   31.378   25.005   31.378   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   20    9 o  ?   ?  -50.4909   16.910 -58.1555   21.547 -38.2000   27.286  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   22    0 o  ?   ?  -14.1369   15.548   3.1543   23.232 -28.1638   20.924  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   22    1 o  ?   ?   -3.1119   15.044 -21.0360   22.493   11.395   20.236  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   22    2 f  ?   ?  -13.3782   14.871   19.717   22.092 -40.7975   20.109  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   22    3 o  ?   ?    27.520   15.123   70.735   21.890 -11.9420   20.918  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   22    4 o  ?   ?    8.3993   14.498   11.091   20.870   5.8891   20.154  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   22    5 f  ?   ?  -32.3918   14.289 -57.4058   19.537  -3.6188   20.953  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   22    6 o  ?   ?   -3.4737   14.750 -13.7458   20.327   7.9506   21.437  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   22    7 o  ?   ?   -4.2276   21.162   24.927   30.602 -30.9463   29.296  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   22    8 o  ?   ?  -18.1207   16.188 -40.9421   19.943   25.956   27.716  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   24    0 o  ?   ?    5.2114   15.136   7.8655   22.506   3.0198   20.451  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   24    1 o  ?   ?  -27.4971   14.765 -28.7811   21.720 -26.3939   20.133  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   24    2 o  ?   ?    12.140   14.924  -1.8450   22.615   22.928   19.863  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   24    3 o  ?   ?   -8.4896   14.871  -5.1081   22.068 -11.3024   20.126  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   24    4 o  ?   ?    0.3455   14.811  -2.2931   21.328   2.8031   20.583  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   24    5 o  ?   ?    3.4046   16.735   27.990   28.076 -10.1438   20.842  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   24    6 o  ?   ?    4.1907   16.172  -0.9371   25.967   7.4398   20.670  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   24    7 o  ?   ?  -32.3776   15.688 -41.3696   19.300 -14.8634   26.935  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   24    8 o  ?   ?  -16.1192   19.740 -10.4439   27.622 -22.0439   28.222  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   26    0 o  ?   ?    22.642   15.212   24.383   22.926   21.273   20.332  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   26    1 o  ?   ?  -21.0373   14.830 -28.0737   22.435 -15.5770   19.764  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   26    2 o  ?   ?    0.6130   14.909   17.746   21.997 -13.9454   20.277  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   26    3 o  ?   ?  -16.2020   14.851 -18.0439   22.229 -14.7170   19.960  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   26    4 o  ?   ?    23.911   17.226   73.902   34.667   7.5205   19.850  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   26    5 o  ?   ?  -35.5851   16.808 -26.1024   31.030 -39.5229   19.996  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   26    6 o  ?   ?    7.5010   13.278   6.9283   18.078   8.1717   19.565  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   26    7 o  ?   ?    1.0977   15.665   5.5309   19.112  -7.9756   27.342  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   28    0 o  ?   ?  -14.5399   14.978 -23.5840   21.779  -6.4238   20.631  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   28    1 o  ?   ?   -2.7824   14.953   4.9232   22.067  -9.3245   20.333  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   28    2 o  ?   ?   -3.2136   14.973   8.3119   22.231 -12.7834   20.257  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   28    3 o  ?   ?    25.500   16.402   57.854   32.284   14.244   19.043  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   28    4 o  ?   ?   -3.5933   16.595   19.244   34.784 -10.3236   18.883  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   28    5 o  ?   ?    9.1393   14.597   5.9939   22.056   11.591   19.471  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   28    6 o  ?   ?    25.546   14.749   51.521   21.706   3.2664   20.103  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   30    0 o  ?   ?    2.5459   15.497  -4.9729   23.016   8.7810   20.960  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   30    1 o  ?   ?  -32.3035   17.261 -67.2195   32.542 -18.6340   20.361  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   30    2 o  ?   ?   -9.8496   16.319 -44.3512   29.826   4.8918   19.496  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   30    3 o  ?   ?   -7.3215   14.750 -28.3823   23.167   7.0357   19.128  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   30    4 o  ?   ?    11.155   14.086   8.6335   21.518   13.045   18.633  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   30    5 o  ?   ?    15.001   14.604  -7.3753   22.139   32.238   19.431  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   30    6 o  ?   ?    36.460   15.305   23.231   22.989   46.991   20.512  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   32    0 o  ?   ?  -12.3746   17.252 -25.6341   31.240  -6.5558   20.695  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   32    1 o  ?   ?  -11.0994   16.862 -29.3317   29.775  -2.4920   20.458  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   32    2 f  ?   ?    42.559   14.926   33.054   22.947   49.529   19.652  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   32    3 o  ?   ?  -20.0806   14.719 -25.8254   23.090 -16.1482   19.104  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   32    4 f  ?   ?   -1.4798   14.307  -6.3141   21.768   2.1961   18.982  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   34    0 o  ?   ?  -24.3162   18.073 -105.3171   36.371   2.2406   20.826  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   34    1 o  ?   ?  -10.8631   14.840 -24.7649   21.719   1.3112   20.325  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   34    2 o  ?   ?    14.164   14.332   16.645   22.111   12.367   18.820  ?   ?   ?   ?  0.000000      ? 
1 1 1   38   34    3 o  ?   ?    4.2564   14.936   8.0262   22.425   1.2511   20.023  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1    0 o  ?   ?  -34.8379   14.896 -21.9501   21.111 -47.6184   21.022  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1    1 o  ?   ?  -12.9893   15.094  -1.2113   21.473 -24.4928   21.222  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1    2 o  ?   ?   -5.0672   15.522 -34.4979   22.356   22.327   21.569  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1    3 o  ?   ?    12.333   17.882   19.102   31.915   9.2350   21.589  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1    4 o  ?   ?  -19.3755   15.619 -60.1027   22.111   21.179   22.065  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1    5 o  ?   ?    3.2526   15.532  -7.4571   21.852   14.188   22.081  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1    6 o  ?   ?    25.554   21.237   0.0000   0.0000   25.554   21.237  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1    7 o  ?   ?  -10.3299   14.117  -2.7524   20.022 -17.8218   19.908  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1    8 o  ?   ?   -1.8803   16.325 -17.3702   20.006   28.985   28.240  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1    9 o  ?   ?  -27.0871   16.639 -18.8070   20.571 -42.7561   28.298  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    1   10 o  ?   ?  -12.1306   19.197   7.3756   28.020 -29.3854   26.353  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3    0 o  ?   ?   -9.7511   14.980  -6.3067   21.409 -13.0549   20.967  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3    1 o  ?   ?   -9.8111   15.262 -15.7207   21.692  -4.0187   21.476  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3    2 o  ?   ?  -11.8932   17.240 -21.7341   20.775   9.8780   30.900  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3    3 o  ?   ?    20.578   17.878   18.879   22.005   23.878   30.662  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3    4 o  ?   ?  -12.6424   15.417 -26.1094   21.708   1.0622   21.899  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3    5 o  ?   ?   -2.1461   15.260   1.5826   21.393  -6.0086   21.774  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3    6 o  ?   ?  -22.2014   15.139   10.714   20.787 -59.3844   22.093  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3    7 o  ?   ?    6.4254   16.236 -15.2229   20.184   46.112   27.329  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3    8 o  ?   ?    22.775   15.747   35.075   19.414  -0.8785   26.923  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3    9 o  ?   ?    0.5017   16.119  -1.6515   19.597   5.0049   28.341  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    3   10 o  ?   ?    10.752   14.318  -7.5366   21.492   25.346   19.198  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    5    0 o  ?   ?  -24.2446   18.093 -18.7524   23.049 -33.0634   29.206  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    5    1 o  ?   ?  -14.1307   17.872  -9.6450   22.169 -22.4585   30.207  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    5    2 o  ?   ?    31.661   15.504   45.916   21.279   15.530   22.636  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    5    3 o  ?   ?    18.935   15.646   8.1952   20.628   33.483   24.009  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    5    4 o  ?   ?   -4.3275   18.162   5.5005   22.135 -24.5805   31.775  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    5    5 o  ?   ?    20.267   17.047   0.1383   21.026   58.878   29.121  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    5    6 o  ?   ?  -14.3184   17.026 -40.5003   21.025   35.561   29.020  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    5    7 o  ?   ?   -8.8544   16.085 -11.9513   19.637  -2.5395   28.040  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    5    8 o  ?   ?    9.1786   13.808   14.044   18.286   2.7251   21.060  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    5    9 o  ?   ?  -30.2282   13.896 -24.7122   19.345 -36.1079   19.973  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    7    0 o  ?   ?  -29.4755   20.771 -29.5561   28.978 -29.3902   29.787  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    7    1 o  ?   ?  -11.8421   17.669   5.6520   21.867 -44.7463   29.990  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    7    2 o  ?   ?    19.311   17.065   4.5838   20.949   48.361   29.422  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    7    3 o  ?   ?  -12.9074   17.198 -39.0026   20.643   46.298   31.094  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    7    4 o  ?   ?  -14.5876   17.343 -27.6758   20.617   17.093   32.075  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    7    5 o  ?   ?  -26.1698   16.842 -32.1300   20.273 -12.8927   30.257  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    7    6 o  ?   ?  -30.1129   17.041 -38.8064   20.835 -12.5463   29.617  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    7    7 o  ?   ?    34.604   14.675   53.500   20.722   15.593   20.785  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    7    8 o  ?   ?  -10.2951   13.437   1.3315   18.383 -23.6339   19.691  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    7    9 o  ?   ?    15.480   13.802   14.876   19.463   16.090   19.574  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    9    0 o  ?   ?  -24.9683   18.108 -20.5657   22.131 -33.8878   31.500  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    9    1 o  ?   ?  -11.4345   17.482   13.637   22.289 -51.5122   28.181  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    9    2 o  ?   ?    0.3710   17.816   20.722   22.228 -36.1951   29.795  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    9    3 o  ?   ?  -14.3638   17.167 -16.0945   20.850 -10.7219   30.246  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    9    4 o  ?   ?   -1.2848   16.323   10.304   19.044 -33.3756   31.691  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    9    5 o  ?   ?  -23.1280   14.321 -27.3077   19.615 -18.3558   20.959  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    9    6 o  ?   ?   -4.9145   14.406  -1.1040   20.131  -8.9146   20.626  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    9    7 o  ?   ?    30.967   15.116   46.452   21.018   14.375   21.757  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    9    8 o  ?   ?    6.8315   14.054  -6.1343   19.728   20.191   20.025  ?   ?   ?   ?  0.000000      ? 
1 1 1   39    9    9 o  ?   ?   -0.7985   13.794   10.817   19.707 -11.9546   19.313  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   11    0 o  ?   ?    18.499   15.687   9.5249   22.718   26.679   21.689  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   11    1 o  ?   ?    18.118   15.687   32.439   23.008   5.6773   21.445  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   11    2 o  ?   ?    20.206   15.135   2.8306   21.928   36.015   20.917  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   11    3 o  ?   ?    9.5476   14.723   24.494   20.693  -5.7735   20.951  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   11    4 o  ?   ?    12.416   14.550   4.8366   19.938   21.052   21.282  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   11    5 o  ?   ?  -26.7648   14.182 -21.1081   19.518 -33.0929   20.643  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   11    6 o  ?   ?    17.726   16.782   13.478   26.964   20.412   21.442  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   11    7 o  ?   ?    25.914   14.632   48.169   20.587   3.1975   20.800  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   11    8 o  ?   ?    13.246   14.263   21.013   20.876   6.4459   19.534  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   11    9 o  ?   ?    4.9626   14.431   0.6642   20.839   8.9230   20.003  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   13    0 o  ?   ?    2.2844   15.776   3.2311   23.222   1.4729   21.499  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   13    1 o  ?   ?  -10.9941   15.087 -16.1639   22.260  -6.6012   20.520  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   13    2 o  ?   ?   -2.6588   14.876   17.657   22.066 -19.5861   20.142  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   13    3 o  ?   ?    7.9836   14.583   42.438   20.840 -25.0694   20.412  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   13    4 o  ?   ?   -1.6048   14.071 -18.4263   19.839   15.425   19.961  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   13    5 o  ?   ?    12.580   14.230   44.590   19.265 -25.8542   21.110  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   13    6 o  ?   ?    5.2931   14.834  -4.6810   20.105   17.209   21.975  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   13    7 o  ?   ?    0.9777   14.597 -15.6081   20.358   18.526   20.940  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   13    8 o  ?   ?    1.2868   14.650 -19.7108   21.042   21.038   20.408  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   13    9 o  ?   ?  -20.1480   14.556 -42.6896   21.569  -1.2950   19.726  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   15    0 o  ?   ?  -19.9538   15.736 -51.0874   23.661   4.7377   21.071  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   15    1 o  ?   ?  -14.8925   15.133 -24.3366   22.904  -7.5749   20.161  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   15    2 o  ?   ?    28.532   14.800   20.469   21.394   35.933   20.496  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   15    3 o  ?   ?    2.1359   14.441  -4.2268   20.802   8.0543   20.062  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   15    4 o  ?   ?  -13.3043   14.428 -29.6335   20.054   4.2189   20.774  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   15    5 o  ?   ?    6.5245   14.228   0.1319   19.460   13.866   20.855  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   15    6 o  ?   ?    9.5766   14.783  -8.0368   20.336   29.317   21.529  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   15    7 o  ?   ?    30.349   17.783   31.932   31.782   29.628   21.455  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   15    8 o  ?   ?   -5.0687   15.188   5.4003   22.852 -13.3511   20.326  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   17    0 o  ?   ?   -4.5696   15.876 -32.7189   23.966   17.441   21.192  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   17    1 o  ?   ?    11.675   15.191 -12.5343   21.662   35.105   21.310  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   17    2 o  ?   ?    13.916   14.585   13.074   21.849   14.592   19.589  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   17    3 o  ?   ?    31.968   14.277   0.2226   20.635   61.122   19.775  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   17    4 o  ?   ?    7.3736   14.291   7.1484   20.415   7.5901   20.013  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   17    5 o  ?   ?  -10.7246   14.392  -2.2492   19.206 -21.5800   21.736  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   17    6 o  ?   ?    12.203   14.926   3.6204   20.927   21.091   21.296  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   17    7 o  ?   ?    24.452   21.989   31.127   32.877   19.049   29.578  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   17    8 o  ?   ?    11.629   17.153   14.985   33.203   10.407   20.034  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   19    0 o  ?   ?    23.830   15.708   1.3808   23.622   41.628   21.033  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   19    1 o  ?   ?    5.1559   15.296   15.430   22.938  -3.0721   20.527  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   19    2 o  ?   ?   -5.5773   14.686  -3.3221   21.769  -7.4609   19.895  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   19    3 o  ?   ?    12.579   14.429   10.328   20.511   14.783   20.301  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   19    4 o  ?   ?    23.583   14.367   20.379   20.136   26.905   20.504  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   19    5 o  ?   ?  -14.2230   14.382  -8.7486   19.931 -20.1703   20.774  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   19    6 o  ?   ?  -10.1258   17.500   18.298   32.759 -21.4764   20.702  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   19    7 o  ?   ?    9.6392   17.118   3.9137   32.780   11.786   20.072  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   19    8 o  ?   ?    29.989   16.998   86.439   32.581   8.8804   19.924  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   21    0 o  ?   ?    3.1872   16.019 -26.7638   24.064   27.020   21.466  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   21    1 o  ?   ?   -9.5768   14.834 -23.1482   22.843   0.3197   19.506  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   21    2 o  ?   ?  -14.6475   14.235 -44.5070   21.022   10.642   19.346  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   21    3 o  ?   ?    5.2336   14.679  -4.1235   20.877   14.381   20.642  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   21    4 o  ?   ?   -6.1361   14.537 -23.2979   19.444   15.610   21.888  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   21    5 o  ?   ?    15.244   16.320   19.756   27.285   12.731   20.365  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   21    6 f  ?   ?  -13.7649   16.475   7.8244   29.866 -23.2080   19.752  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   21    7 o  ?   ?   -3.9751   14.078  -4.1332   20.388  -3.8310   19.462  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   23    0 o  ?   ?  -10.7678   15.093 -39.4147   23.583   9.1052   19.642  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   23    1 o  ?   ?    19.003   15.180   72.885   23.449 -19.8696   19.917  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   23    2 o  ?   ?   -0.5383   14.705  -7.4482   22.498   4.6156   19.431  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   23    3 o  ?   ?    11.941   17.664   32.815   33.200   3.6994   20.861  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   23    4 o  ?   ?   -0.6243   17.189 -29.9317   29.947   13.776   20.992  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   23    5 o  ?   ?    19.834   14.437   12.739   20.340   27.037   20.494  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   23    6 o  ?   ?  -30.6974   13.528 -41.0516   19.023 -20.1039   19.242  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   23    7 o  ?   ?  -11.2301   13.823   0.7632   20.295 -21.6092   18.880  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   25    0 o  ?   ?  -10.5693   16.503   2.2322   29.029 -16.6823   20.060  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   25    1 o  ?   ?    6.5806   15.406  -0.5265   23.666   11.807   20.296  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   25    2 o  ?   ?    28.943   17.276   20.956   34.540   31.608   19.951  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   25    3 o  ?   ?    2.8783   16.594   12.073   34.131   0.0322   18.989  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   25    4 o  ?   ?   -2.8266   15.043 -54.1129   22.302   39.985   20.376  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   25    5 o  ?   ?   -8.6941   14.315 -10.3714   20.213  -7.0062   20.276  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   25    6 f  ?   ?   -0.9283   13.181  -7.6984   18.935   5.4371   18.361  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   27    0 o  ?   ?  -19.2150   20.512   0.0000   0.0000 -19.2150   20.512  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   27    1 o  ?   ?  -14.4098   30.690 -14.4098   30.690   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   27    2 o  ?   ?    9.0318   16.751   32.220   31.879   0.1881   19.688  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   27    3 o  ?   ?  -36.9869   14.123 -23.3236   21.272 -47.7566   18.886  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   27    4 o  ?   ?    2.7359   15.013   7.6786   22.591  -1.1734   20.091  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   27    5 o  ?   ?  -22.4985   14.925 -16.8950   22.354 -27.0053   20.047  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   29    0 f  ?   ?   -2.7382   21.823   0.0000   0.0000  -2.7382   21.823  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   29    1 o  ?   ?  -20.9396   14.974 -69.9193   22.706   16.757   19.919  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   29    2 o  ?   ?  -10.3937   14.293   4.9217   21.499 -22.5240   19.133  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   29    3 o  ?   ?  -22.8960   14.096 -26.6938   20.980 -19.7710   19.031  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   29    4 o  ?   ?    6.0842   14.836   23.596   22.136  -8.1973   19.991  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   31    0 o  ?   ?   -9.2785   17.706   9.2634   30.324 -18.8706   21.810  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   31    1 o  ?   ?    1.8238   14.920 -22.0704   22.489   20.609   19.940  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   31    2 o  ?   ?    7.0659   14.635   11.231   21.951   3.7331   19.637  ?   ?   ?   ?  0.000000      ? 
1 1 1   39   31    3 f  ?   ?    27.229   14.373   43.496   22.000   15.117   18.984  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    0    0 o   28.185   20.354 -34.0997   20.417 -34.0997   20.417 -34.0997   20.417   28.185   20.354   28.185   20.354 0.000000 0.000000 
1 1 1   40    0    1 o   57.639   36.011   15.937   29.426   15.937   29.426   15.937   29.426   57.639   36.011   57.639   36.011 0.000000 0.000000 
1 1 1   40    0    2 o   89.633   43.552   52.244   31.675   52.244   31.675   52.244   31.675   89.633   43.552   89.633   43.552 0.000000 0.000000 
1 1 1   40    0    3 o   45.270   30.454  -2.9795   27.232  -2.9795   27.232  -2.9795   27.232   45.270   30.454   45.270   30.454 0.000000 0.000000 
1 1 1   40    0    4 o   30.750   22.396 -53.0732   27.706 -53.0732   27.706 -53.0732   27.706   30.750   22.396   30.750   22.396 0.000000 0.000000 
1 1 1   40    0    5 o  109.840   40.574   67.463   28.587   67.463   28.587   67.463   28.587  109.840   40.574  109.840   40.574 0.000000 0.000000 
1 1 1   40    0    6 o   32.671   23.465 -32.8146   25.475 -32.8146   25.475 -32.8146   25.475   32.671   23.465   32.671   23.465 0.000000 0.000000 
1 1 1   40    0    7 o   42.372   28.695  -1.5180   24.961  -1.5180   24.961  -1.5180   24.961   42.372   28.695   42.372   28.695 0.000000 0.000000 
1 1 1   40    0    8 o   22.651   16.769 -64.9425   21.301 -64.9425   21.301 -64.9425   21.301   22.651   16.769   22.651   16.769 0.000000 0.000000 
1 1 1   40    0    9 o   40.081   26.823   3.4798   20.629   3.4798   20.629   3.4798   20.629   40.081   26.823   40.081   26.823 0.000000 0.000000 
1 1 1   40    2    0 o  ?   ?  -13.6257   16.481 -14.0439   28.947 -13.4251   20.048  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    2    1 o  ?   ?    10.247   17.784  -0.8673   29.721   16.445   22.196  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    2    2 o  ?   ?    33.224   30.040   33.224   30.040   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    2    3 o  ?   ?    31.134   20.450   43.117   28.481   18.380   29.382  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    2    4 o  ?   ?    15.117   19.856   24.205   28.188   6.1659   27.975  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    2    5 o  ?   ?   -4.7108   19.682 -23.1512   27.766   13.912   27.903  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    2    6 o  ?   ?    18.445   16.008   21.624   25.827   16.462   20.399  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    2    7 o  ?   ?  -13.2127   15.367  -0.2403   25.386 -20.7151   19.306  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    2    8 o  ?   ?    39.257   16.732   53.024   28.000   31.610   20.867  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    2    9 o  ?   ?   -5.8910   16.087 -10.4683   28.155  -3.6724   19.601  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    4    0 o  ?   ?  -10.7262   16.368 -21.9659   30.030  -5.9759   19.523  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    4    1 o  ?   ?   -5.6011   17.094 -44.2146   29.532   13.855   20.963  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    4    2 o  ?   ?  -22.0973   17.335 -18.8927   26.969 -24.3536   22.629  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    4    3 o  ?   ?   -3.4510   20.596   4.8346   29.005 -11.8780   29.251  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    4    4 o  ?   ?  -20.7911   15.528 -50.8958   21.986   9.1755   21.935  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    4    5 o  ?   ?    1.0397   15.136   3.0380   21.845  -0.8055   20.992  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    4    6 o  ?   ?  -35.9847   20.132 -35.9847   20.132   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    4    7 o  ?   ?    11.432   14.285   7.4117   20.143   15.501   20.261  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    4    8 o  ?   ?    11.509   16.543   28.361   26.619   0.9043   21.116  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    6    0 o  ?   ?   -7.5604   16.518 -33.8488   30.464   3.3863   19.658  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    6    1 o  ?   ?    11.605   21.978 -28.7024   29.908   58.927   32.406  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    6    2 o  ?   ?  -14.6948   16.615   47.707   27.945 -48.8169   20.664  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    6    3 o  ?   ?    13.687   15.248   8.9278   21.051   18.938   22.115  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    6    4 o  ?   ?    2.1017   14.892   16.495   20.963 -12.5630   21.160  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    6    5 o  ?   ?  -10.4489   14.553  -7.6781   20.272 -13.3952   20.904  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    6    6 o  ?   ?    5.1468   14.721  -0.4559   20.489   11.125   21.164  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    6    7 o  ?   ?    7.7274   14.513   12.550   20.467   2.8498   20.583  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    6    8 f  ?   ?  -20.8135   14.095 -24.5480   19.477 -16.7068   20.424  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    8    0 o  ?   ?    33.493   17.258   60.976   30.141   20.090   21.049  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    8    1 o  ?   ?    7.5857   16.908   1.3820   27.744   11.251   21.326  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    8    2 o  ?   ?  -14.5875   15.483 -30.2578   22.003   0.7819   21.790  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    8    3 o  ?   ?  -12.4195   15.190 -15.9496   20.713  -8.3128   22.341  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    8    4 o  ?   ?  -24.5775   14.829 -31.6126   20.365 -16.6367   21.636  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    8    5 o  ?   ?  -14.0321   17.230 -16.5707   29.640 -12.7362   21.176  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    8    6 o  ?   ?    26.290   15.046   26.005   21.034   26.587   21.530  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    8    7 o  ?   ?    0.9532   14.856 -12.2221   20.652   15.082   21.386  ?   ?   ?   ?  0.000000      ? 
1 1 1   40    8    8 o  ?   ?    6.0293   14.357   11.485   20.460   0.7365   20.152  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   10    0 o  ?   ?  -25.8856   17.109   1.6098   29.474 -39.8590   21.012  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   10    1 o  ?   ?  -13.5999   16.677   6.0390   28.604 -23.7145   20.527  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   10    2 o  ?   ?  -12.2736   15.163   7.3621   21.262 -32.5984   21.631  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   10    3 o  ?   ?    12.590   15.233  -0.7854   21.060   27.265   22.060  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   10    4 o  ?   ?    23.635   14.734   13.692   19.824   35.907   22.024  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   10    5 o  ?   ?  -37.9677   14.684 -36.3717   19.884 -39.8824   21.779  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   10    6 o  ?   ?  -20.9851   14.677  -0.8344   19.839 -45.3470   21.813  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   10    7 o  ?   ?    10.797   14.796   19.549   20.978   2.1343   20.872  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   10    8 o  ?   ?    2.3586   14.559   11.070   21.261  -5.3335   19.978  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   12    0 o  ?   ?    3.1379   17.050   7.3317   28.812   0.8780   21.151  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   12    1 o  ?   ?  -16.8879   16.472 -20.3024   27.322 -14.9381   20.646  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   12    2 o  ?   ?    13.218   15.469   13.905   22.270   12.578   21.503  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   12    3 o  ?   ?   -5.4399   14.926 -13.4082   20.790   3.0362   21.442  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   12    4 f  ?   ?    6.4282   14.547   3.0574   20.515   9.8370   20.631  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   12    5 o  ?   ?    0.6402   15.042 -21.4915   20.199   28.191   22.537  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   12    6 o  ?   ?    3.0981   17.950 -40.6195   31.825   23.495   21.738  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   12    7 f  ?   ?   -2.5497   14.940 -26.7088   21.439   20.258   20.830  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   12    8 o  ?   ?    24.028   16.950  -6.4537   31.036   36.986   20.235  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   14    0 o  ?   ?    34.260   17.476   12.839   30.671   44.558   21.266  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   14    1 o  ?   ?  -23.9773   17.029 -40.2341   29.328 -15.7088   20.916  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   14    2 o  ?   ?    11.166   15.347   21.184   21.922   1.5372   21.493  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   14    3 o  ?   ?    18.809   14.582   25.599   20.081   11.236   21.209  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   14    4 o  ?   ?   -8.3316   14.593  -3.6423   20.058 -13.6043   21.269  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   14    5 o  ?   ?    9.5483   15.185 -28.9442   20.751   53.923   22.280  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   14    6 o  ?   ?  -13.8386   16.654 -17.4506   20.716  -7.2390   28.002  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   14    7 o  ?   ?   -4.7072   16.870 -37.5902   32.521   7.3998   19.733  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   16    0 o  ?   ?  -13.4203   17.285   15.049   29.282 -28.6458   21.414  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   16    1 o  ?   ?    16.483   16.731  -8.2585   29.443   28.281   20.332  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   16    2 o  ?   ?    13.040   14.835  -3.8986   21.133   29.497   20.830  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   16    3 o  ?   ?    7.0055   14.423  -1.4529   20.113   15.958   20.692  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   16    4 o  ?   ?  -11.7130   14.688 -20.6289   20.451  -2.2135   21.110  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   16    5 o  ?   ?    12.528   17.546   9.4244   30.506   14.062   21.449  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   16    6 o  ?   ?    13.394   17.491   42.356   33.273   2.3354   20.561  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   16    7 o  ?   ?   -5.7066   20.137   0.0000   0.0000  -5.7066   20.137  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   18    0 o  ?   ?    8.8047   17.477  -4.7424   31.363   14.906   21.049  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   18    1 o  ?   ?    11.335   16.281   24.893   26.486   3.1007   20.640  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   18    2 o  ?   ?  -17.9283   14.380 -22.0684   20.236 -13.7050   20.439  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   18    3 o  ?   ?    24.145   14.917   22.171   20.371   26.427   21.905  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   18    4 o  ?   ?    10.144   17.341   22.200   28.637   3.1649   21.789  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   18    5 o  ?   ?   -1.5176   17.155 -18.5512   31.470   5.6845   20.463  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   18    6 o  ?   ?    0.8730   19.339   0.0000   0.0000   0.8730   19.339  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   18    7 o  ?   ?    10.142   17.245   24.136   21.884 -12.7805   28.009  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   20    0 o  ?   ?   -6.3989   15.871 -66.9756   29.028   19.432   18.956  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   20    1 o  ?   ?   -7.6082   18.622   0.0000   0.0000  -7.6082   18.622  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   20    2 o  ?   ?    44.062   18.151   79.951   35.076   30.936   21.212  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   20    3 o  ?   ?  -21.0086   17.349 -51.4146   29.336  -4.6556   21.514  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   20    4 o  ?   ?   -8.5372   16.471 -13.0976   26.703  -5.7363   20.927  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   20    5 o  ?   ?    6.7234   13.708   0.9066   19.561   12.336   19.215  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   20    6 o  ?   ?    13.262   14.329  -0.6649   20.583   26.358   19.960  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   22    0 o  ?   ?  -25.0179   16.855 -69.3171   39.376 -15.0800   18.650  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   22    1 o  ?   ?    14.597   19.094   0.0000   0.0000   14.597   19.094  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   22    2 o  ?   ?  -26.3445   16.805 -69.2683   34.535 -13.0280   19.236  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   22    3 o  ?   ?   -0.3195   14.954  -3.4544   21.063   2.8666   21.234  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   22    4 o  ?   ?    5.4067   14.074   3.6950   19.632   7.2164   20.187  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   22    5 o  ?   ?    15.488   14.123  -0.6363   19.925   31.772   20.023  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   22    6 o  ?   ?  -11.0722   14.254  -9.1443   20.679 -12.8174   19.675  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   24    0 o  ?   ?    1.0285   16.991 -47.3805   33.262   18.120   19.764  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   24    1 o  ?   ?  -32.3799   16.730 -50.9756   32.330 -25.5797   19.551  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   24    2 o  ?   ?   -7.6057   15.059   0.3073   22.835 -13.6955   20.033  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   24    3 o  ?   ?   -9.5484   14.839   5.9071   21.686 -23.1580   20.350  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   24    4 o  ?   ?   -4.4296   14.758 -26.7947   21.977   13.938   19.916  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   24    5 o  ?   ?    1.8048   14.041   28.276   20.655 -20.9353   19.144  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   26    0 o  ?   ?   -8.6962   15.359  -4.2965   23.558 -11.9488   20.256  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   26    1 o  ?   ?  -17.2946   17.031 -47.4049   31.246  -4.5691   20.313  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   26    2 o  ?   ?    3.4058   14.644  -9.4532   22.898   12.305   19.048  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   26    3 o  ?   ?    25.525   14.753   3.8104   22.610   41.624   19.468  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   26    4 o  ?   ?    10.457   15.062   17.434   22.658   4.9324   20.162  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   28    0 o  ?   ?   -9.9991   15.390   7.3089   22.061 -26.4068   21.480  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   28    1 o  ?   ?  -14.7439   17.417 -11.7756   30.825 -16.1360   21.110  ?   ?   ?   ?  0.000000      ? 
1 1 1   40   28    2 o  ?   ?    11.261   15.976   37.907   30.711   1.3743   18.707  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    1    0 o  ?   ?   -5.1037   14.996  -2.3509   21.356  -7.7814   21.062  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    1    1 o  ?   ?    18.046   14.615   30.910   20.426   4.5507   20.921  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    1    2 o  ?   ?  -28.7235   15.328   1.7500   20.598 -66.5453   22.947  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    1    3 o  ?   ?    9.5991   15.313  -3.3505   21.632   22.607   21.680  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    1    4 o  ?   ?   -2.7384   15.453   18.900   21.852 -24.3823   21.855  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    1    5 o  ?   ?    13.786   14.751   12.867   21.062   14.671   20.667  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    1    6 o  ?   ?    3.7811   13.685  -6.9574   19.340   14.549   19.367  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    1    7 o  ?   ?    12.213   14.186   24.529   19.675  -1.1227   20.473  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    3    0 o  ?   ?    14.586   14.630   30.136   20.961  -0.1835   20.429  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    3    1 o  ?   ?    25.564   17.036   59.805   27.968   5.3668   21.480  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    3    2 o  ?   ?   -7.5912   14.849  -8.2233   20.175  -6.8441   21.934  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    3    3 o  ?   ?   -9.7732   15.150  -2.9561   21.224 -16.8554   21.633  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    3    4 o  ?   ?   -6.0291   15.107   41.888   20.992 -57.5018   21.757  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    3    5 o  ?   ?    21.328   14.512   35.666   21.068   8.3809   20.020  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    3    6 o  ?   ?  -10.5049   14.111  -1.8762   20.247 -18.6556   19.678  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    3    7 o  ?   ?  -15.3763   14.455   10.426   19.849 -44.5123   21.092  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    5    0 f  ?   ?    18.671   15.335   49.349   22.096  -9.8310   21.299  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    5    1 o  ?   ?    8.7529   18.222   39.863   21.537 -69.6098   34.182  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    5    2 o  ?   ?  -13.3213   15.022 -24.0135   20.223  -0.1576   22.439  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    5    3 o  ?   ?    19.580   15.669   14.068   21.679   25.608   22.672  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    5    4 o  ?   ?  -23.3989   17.927 -20.6878   34.962 -24.3660   20.882  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    5    5 f  ?   ?   -4.8225   13.980   0.7029   19.899 -10.2070   19.644  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    5    6 o  ?   ?  -20.3086   14.622 -41.4506   21.026  -0.5092   20.347  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    5    7 o  ?   ?  -34.4793   14.901 -48.8804   20.776 -19.2219   21.384  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    7    0 o  ?   ?   -9.4459   15.528 -17.5399   22.469  -2.0464   21.483  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    7    1 o  ?   ?  -12.6208   15.358   14.266   21.682 -39.6976   21.758  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    7    2 o  ?   ?    9.3925   15.360   12.788   21.055   5.5293   22.458  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    7    3 o  ?   ?   -4.9972   15.313 -35.7236   21.639   25.823   21.672  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    7    4 o  ?   ?  -29.7390   16.629  -5.0537   26.496 -45.7812   21.360  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    7    5 o  ?   ?   -9.8160   15.683  -1.5459   25.292 -14.9823   19.990  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    7    6 o  ?   ?    4.9960   16.384   5.9902   25.806   4.3246   21.206  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    7    7 o  ?   ?   -4.4021   16.835 -15.5610   27.677   2.1502   21.209  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    9    0 o  ?   ?   -7.3188   21.680  -7.3188   21.680   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    9    1 o  ?   ?   -2.6705   15.147   15.838   21.443 -21.1011   21.398  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    9    2 o  ?   ?  -15.4360   15.269 -18.5757   21.951 -12.4933   21.252  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    9    3 o  ?   ?    4.7913   16.681 -32.3512   27.020   27.666   21.205  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    9    4 o  ?   ?    11.684   16.298   14.273   25.943   9.9966   20.948  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    9    5 o  ?   ?    34.037   21.384   0.0000   0.0000   34.037   21.384  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    9    6 o  ?   ?  -30.1034   16.955 -47.0780   28.767 -21.0669   20.989  ?   ?   ?   ?  0.000000      ? 
1 1 1   41    9    7 o  ?   ?  -26.2407   20.725   0.0000   0.0000 -26.2407   20.725  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   11    0 o  ?   ?  -30.3227   15.601 -23.5898   22.976 -36.0825   21.251  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   11    1 o  ?   ?    27.180   15.733   11.947   22.110   42.805   22.392  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   11    2 o  ?   ?    2.8718   15.443 -29.0352   22.214   32.717   21.484  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   11    3 o  ?   ?    23.600   16.164   42.551   26.232   11.999   20.524  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   11    4 f  ?   ?  -11.3156   15.669   34.473   24.390 -43.4954   20.447  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   11    5 o  ?   ?    16.800   30.045   0.0000   0.0000   16.800   30.045  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   11    6 o  ?   ?    36.443   21.718   0.0000   0.0000   36.443   21.718  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   11    7 o  ?   ?    2.0014   20.518   0.0000   0.0000   2.0014   20.518  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   13    0 f  ?   ?  -20.6738   15.456  -8.5435   23.271 -30.2489   20.675  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   13    1 o  ?   ?  -22.8553   15.439 -47.2797   22.456  -0.9638   21.260  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   13    2 o  ?   ?    24.250   15.518   25.541   22.880   23.151   21.118  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   13    3 o  ?   ?   -0.7500   19.657   0.0000   0.0000  -0.7500   19.657  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   13    4 o  ?   ?  -39.5129   20.769   0.0000   0.0000 -39.5129   20.769  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   13    5 o  ?   ?   -8.8725   20.860   0.0000   0.0000  -8.8725   20.860  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   13    6 o  ?   ?   -8.0130   15.450 -12.1751   24.044  -5.0855   20.165  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   15    0 o  ?   ?  -22.9500   17.673   28.341   35.703 -39.5966   20.340  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   15    1 o  ?   ?  -13.8331   17.389  -2.1459   32.698 -18.4417   20.533  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   15    2 o  ?   ?  -10.4889   17.585 -21.4732   35.047  -6.7932   20.329  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   15    3 o  ?   ?  -17.5317   20.333   0.0000   0.0000 -17.5317   20.333  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   15    4 o  ?   ?  -23.4187   20.661   0.0000   0.0000 -23.4187   20.661  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   15    5 o  ?   ?  -14.8693   14.729 -39.4456   20.896   9.3982   20.764  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   15    6 o  ?   ?   -2.5896   16.957 -11.7894   21.624   12.102   27.326  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   17    0 o  ?   ?   -6.3665   16.963 -15.2244   37.804  -4.1334   18.982  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   17    1 o  ?   ?   -5.5211   16.689   51.854   35.507 -21.7908   18.908  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   17    2 o  ?   ?    0.5286   17.088 -45.6634   31.666   19.506   20.297  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   17    3 o  ?   ?   -9.6182   17.342 -48.5073   28.309   13.743   21.941  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   17    4 o  ?   ?    14.505   16.659   14.756   27.347   14.357   21.007  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   17    5 o  ?   ?    9.6169   14.592  -4.0097   21.237   21.803   20.083  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   19    0 o  ?   ?  -31.9510   14.928 -34.9990   25.148 -30.2926   18.550  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   19    1 o  ?   ?    1.8391   13.929 -19.3515   21.817   16.421   18.098  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   19    2 o  ?   ?  -39.7203   14.953 -40.7774   21.467 -38.7239   20.841  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   19    3 o  ?   ?  -14.9800   16.549 -24.5512   26.123  -8.5641   21.388  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   19    4 o  ?   ?   -4.6204   16.098 -45.0927   26.049   20.388   20.477  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   19    5 o  ?   ?  -14.6140   13.861 -19.9752   20.337  -9.9632   18.942  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   21    0 o  ?   ?    4.5632   15.179   7.1216   24.076   2.8756   19.554  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   21    1 o  ?   ?  -19.0365   14.832 -23.0679   23.129 -16.2209   19.330  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   21    2 o  ?   ?    25.107   15.689   19.351   22.767   30.312   21.650  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   21    3 o  ?   ?    6.2051   16.885   22.459   27.915  -3.1716   21.203  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   21    4 o  ?   ?    2.2425   16.480   15.215   28.778  -4.0873   20.102  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   23    0 o  ?   ?    22.268   15.563   22.532   24.938   22.100   19.918  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   23    1 f  ?   ?   -0.4411   15.339   11.161   23.400  -9.1822   20.312  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   23    2 o  ?   ?    10.867   15.086   21.512   22.706   2.4528   20.186  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   23    3 o  ?   ?  -11.9902   17.182   36.756   29.266 -37.6307   21.225  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   25    0 o  ?   ?    6.1158   15.626   0.2395   23.443   10.814   20.961  ?   ?   ?   ?  0.000000      ? 
1 1 1   41   25    1 o  ?   ?   -7.4851   15.359 -15.1597   22.180  -0.4140   21.290  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    0    0 o   49.227   31.034   11.900   22.396   11.900   22.396   11.900   22.396   49.227   31.034   49.227   31.034 0.000000 0.000000 
1 1 1   42    0    1 o   55.375   33.175   19.509   22.724   19.509   22.724   19.509   22.724   55.375   33.175   55.375   33.175 0.000000 0.000000 
1 1 1   42    0    2 o   38.915   26.574  -5.2651   22.353  -5.2651   22.353  -5.2651   22.353   38.915   26.574   38.915   26.574 0.000000 0.000000 
1 1 1   42    0    3 f   32.487   23.048 -20.3740   21.828 -20.3740   21.828 -20.3740   21.828   32.487   23.048   32.487   23.048 0.000000 0.000000 
1 1 1   42    0    4 o   49.717   31.122   14.343   22.086   14.343   22.086   14.343   22.086   49.717   31.122   49.717   31.122 0.000000 0.000000 
1 1 1   42    0    5 o   52.145   31.938   18.447   22.065   18.447   22.065   18.447   22.065   52.145   31.938   52.145   31.938 0.000000 0.000000 
1 1 1   42    0    6 o   41.500   27.468   5.4801   20.646   5.4801   20.646   5.4801   20.646   41.500   27.468   41.500   27.468 0.000000 0.000000 
1 1 1   42    2    0 o  ?   ?  -17.4014   16.080 -12.2538   23.336 -22.0556   22.190  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    2    1 o  ?   ?    0.4879   16.480 -28.3470   23.701   27.477   22.930  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    2    2 o  ?   ?  -25.5067   16.030  -2.0174   22.247 -50.8708   23.118  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    2    3 o  ?   ?    2.0383   18.427   6.5268   34.153   0.1952   21.885  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    2    4 o  ?   ?   -1.2056   15.449   6.2403   22.145  -8.2645   21.562  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    2    5 o  ?   ?    20.270   15.486   35.338   22.418   6.5196   21.417  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    2    6 o  ?   ?    12.847   14.911  -6.5962   21.352   31.355   20.832  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    4    0 o  ?   ?   -8.7101   16.479  -6.2469   24.743 -10.6737   22.092  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    4    1 o  ?   ?  -18.3621   16.284   15.538   23.452 -49.9234   22.629  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    4    2 o  ?   ?  -11.5112   15.655 -16.0476   22.207  -7.0299   22.072  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    4    3 o  ?   ?    26.676   16.399   2.6551   22.974   51.634   23.417  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    4    4 o  ?   ?  -39.8336   15.267 -28.8075   22.284 -49.5868   20.958  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    4    5 o  ?   ?    11.096   15.348   25.239   22.933  -0.3784   20.655  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    4    6 o  ?   ?    8.5569   17.517 -20.0098   32.700   20.053   20.744  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    6    0 o  ?   ?    7.1457   21.715   0.0000   0.0000   7.1457   21.715  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    6    1 o  ?   ?   -1.4341   18.688 -16.7317   36.691   3.9244   21.716  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    6    2 o  ?   ?    8.2916   18.838   28.098   35.746   0.6759   22.166  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    6    3 o  ?   ?    12.089   18.577  -3.3376   34.735   18.268   21.985  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    6    4 o  ?   ?   -9.2517   17.702 -38.8732   37.783  -0.9205   20.037  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    6    5 o  ?   ?    7.7974   17.747 -38.0195   36.313   22.175   20.342  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    6    6 o  ?   ?    11.921   17.872  -4.5361   31.976   19.398   21.553  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    8    0 o  ?   ?    2.5868   24.059  -6.2488   34.239   11.205   33.815  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    8    1 o  ?   ?    8.5614   18.674   17.390   35.784   5.2572   21.891  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    8    2 o  ?   ?    23.313   18.581   9.6000   35.967   28.306   21.702  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    8    3 o  ?   ?    4.2756   17.645   1.9493   36.073   5.0073   20.230  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    8    4 o  ?   ?   -3.7499   21.439 -13.0244   36.865   0.9898   26.353  ?   ?   ?   ?  0.000000      ? 
1 1 1   42    8    5 o  ?   ?  -24.1462   17.719   4.7659   34.866 -34.2132   20.574  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   10    0 o  ?   ?    2.2227   18.080   13.312   30.296  -3.9113   22.532  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   10    1 o  ?   ?  -14.7382   18.516 -78.8781   33.397   13.726   22.248  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   10    2 o  ?   ?    3.5599   18.293   46.971   36.055 -11.4878   21.228  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   10    3 f  ?   ?  -17.9329   17.317 -62.1463   36.547  -5.1324   19.665  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   10    4 o  ?   ?    13.096   15.160 -29.5969   23.381   44.061   19.913  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   10    5 o  ?   ?  -23.8319   15.236 -55.4500   22.802   1.6693   20.478  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   12    0 o  ?   ?    18.123   15.796   23.733   22.738   12.890   21.960  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   12    1 o  ?   ?    31.290   15.645   34.004   22.284   28.652   21.971  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   12    2 f  ?   ?  -22.4364   14.811 -46.5298   22.481  -3.9582   19.688  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   12    3 o  ?   ?    6.9817   15.057  -2.4578   22.251   14.954   20.449  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   12    4 o  ?   ?    1.9198   14.933  -9.7864   21.522   12.787   20.736  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   12    5 o  ?   ?  -38.1432   14.816 -11.3641   20.307 -68.6278   21.666  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   14    0 o  ?   ?   -0.2872   15.787   1.2322   22.665  -1.7188   22.001  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   14    1 o  ?   ?  -10.1873   15.135  -3.4007   21.467 -16.8954   21.342  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   14    2 o  ?   ?    26.433   14.895  -4.4062   21.102   57.060   21.029  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   14    3 o  ?   ?   -7.0349   14.701   20.403   21.685 -30.3704   19.998  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   14    4 o  ?   ?  -22.5651   14.863 -20.5853   21.293 -24.4467   20.757  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   16    0 f  ?   ?    2.3603   16.010 -12.2268   24.329   13.503   21.264  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   16    1 o  ?   ?  -34.2302   15.225 -37.0506   22.053 -31.6617   21.045  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   16    2 f  ?   ?    33.064   15.146   22.006   21.533   43.893   21.309  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   16    3 o  ?   ?   -5.0114   14.655   10.717   20.612 -21.0900   20.840  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   16    4 o  ?   ?    4.2657   15.055  -2.1586   21.249   10.741   21.333  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   18    0 o  ?   ?    7.3262   15.824   10.177   24.847   5.3810   20.524  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   18    1 f  ?   ?    24.851   15.562   26.452   23.060   23.511   21.087  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   18    2 o  ?   ?    7.1988   15.010   3.0794   21.182   11.354   21.273  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   18    3 o  ?   ?    7.9949   14.927   5.8139   20.547   10.432   21.721  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   20    0 o  ?   ?    5.5583   15.553   54.327   23.529 -32.2922   20.728  ?   ?   ?   ?  0.000000      ? 
1 1 1   42   20    1 o  ?   ?  -13.8293   15.171 -42.0434   23.131   7.4681   20.097  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    1    0 o  ?   ?  -18.4829   36.769   0.0000   0.0000 -18.4829   36.769  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    1    1 o  ?   ?  -26.9967   26.363 -50.0000   37.401  -4.2800   37.167  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    1    2 o  ?   ?    7.9610   38.423   7.9610   38.423   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    1    3 o  ?   ?  -13.5627   25.566 -23.3610   37.214  -4.8044   35.184  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    1    4 o  ?   ?  -10.9000   23.602   7.1024   33.884 -27.8683   32.896  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    3    0 o  ?   ?  -38.1803   19.007 -20.0198   22.056 -90.5854   37.467  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    3    1 o  ?   ?  -34.5040   18.965 -50.0926   21.934   11.663   37.747  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    3    2 o  ?   ?  -42.4390   20.152 -34.8475   24.149 -59.8537   36.575  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    3    3 o  ?   ?    2.2651   24.623   21.961   36.854 -13.6146   33.092  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    3    4 o  ?   ?    11.395   23.852   0.6741   35.542   20.180   32.173  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    5    0 o  ?   ?    1.1043   18.955 -18.0489   22.077   54.829   36.975  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    5    1 o  ?   ?    14.256   19.140   31.327   22.420 -31.6293   36.756  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    5    2 o  ?   ?   -0.4197   19.258   4.9811   23.034 -12.9610   35.100  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    5    3 o  ?   ?    0.9953   18.219  -0.9620   23.650   3.8522   28.573  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    5    4 o  ?   ?    5.4125   15.659   7.4245   23.351   3.7683   21.110  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    7    0 o  ?   ?    8.1185   18.429   2.8967   21.230   24.088   37.126  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    7    1 o  ?   ?   -4.4945   18.925 -10.4429   22.941   8.1756   33.482  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    7    2 o  ?   ?    6.8035   16.719   23.389   23.273 -10.8822   24.033  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    7    3 o  ?   ?    23.433   21.709   0.0000   0.0000   23.433   21.709  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    9    0 o  ?   ?    7.6454   17.789  -3.4356   21.010   35.702   33.432  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    9    1 o  ?   ?    14.897   18.888   3.9925   22.859   38.361   33.533  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    9    2 o  ?   ?    18.384   16.012   28.809   22.789   8.2193   22.502  ?   ?   ?   ?  0.000000      ? 
1 1 1   43    9    3 o  ?   ?   -5.3737   15.238 -15.4945   21.814   4.2701   21.294  ?   ?   ?   ?  0.000000      ? 
1 1 1   43   11    0 o  ?   ?    3.8919   18.093   5.2721   21.480   0.5215   33.568  ?   ?   ?   ?  0.000000      ? 
1 1 1   43   11    1 o  ?   ?  -14.4680   18.341 -18.3717   22.088  -5.8000   32.914  ?   ?   ?   ?  0.000000      ? 
1 1 1   43   11    2 o  ?   ?    17.287   15.657   38.813   23.162  -0.8281   21.247  ?   ?   ?   ?  0.000000      ? 
1 1 1   43   13    0 o  ?   ?   -9.7090   18.242 -26.3170   21.946   27.429   32.817  ?   ?   ?   ?  0.000000      ? 
1 1 1   43   13    1 o  ?   ?  -12.1953   18.257 -10.1349   22.035 -16.7073   32.608  ?   ?   ?   ?  0.000000      ? 
#END OF REFLECTIONS
